smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)[C@@H](C)CN1C ZINC001164633139 719161142 /nfs/dbraw/zinc/16/11/42/719161142.db2.gz GUFTTWLYNJYDIR-CABCVRRESA-N 0 1 377.493 0.074 20 0 GCADMN CN(C[C@@H](O)CO)c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@@H](CO)C1 ZINC001164672598 719365728 /nfs/dbraw/zinc/36/57/28/719365728.db2.gz YVGXZGBXEKEJEX-HUUCEWRRSA-N 0 1 394.516 0.670 20 0 GCADMN CN(C[C@H](O)CO)c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1 ZINC001164672597 719365882 /nfs/dbraw/zinc/36/58/82/719365882.db2.gz YVGXZGBXEKEJEX-GJZGRUSLSA-N 0 1 394.516 0.670 20 0 GCADMN CN(C[C@@H](O)CO)c1nccc(NC(=O)C(C)(C)C)c1CN1CC[C@H](CO)C1 ZINC001164672599 719365931 /nfs/dbraw/zinc/36/59/31/719365931.db2.gz YVGXZGBXEKEJEX-LSDHHAIUSA-N 0 1 394.516 0.670 20 0 GCADMN CCOC(=O)Cn1cnc2c1nc(Cl)nc2N1C[C@@H]2[C@H](C1)OCCN2C ZINC001164666401 719405247 /nfs/dbraw/zinc/40/52/47/719405247.db2.gz BOTDDPTVYDKZIE-MNOVXSKESA-N 0 1 380.836 0.562 20 0 GCADMN O=C(c1nn(-c2ccc(CN3CCOCC3)cn2)c2c1CNC2)N1CCOCC1 ZINC001164816900 720247926 /nfs/dbraw/zinc/24/79/26/720247926.db2.gz NVSCKNJHZDAEKX-UHFFFAOYSA-N 0 1 398.467 0.175 20 0 GCADMN NC(=O)c1cnc(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739125 720649745 /nfs/dbraw/zinc/64/97/45/720649745.db2.gz FKJZPHUYIVDETB-MNOVXSKESA-N 0 1 375.820 0.361 20 0 GCADMN NC(=O)c1ncc(Cl)nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164743754 720671363 /nfs/dbraw/zinc/67/13/63/720671363.db2.gz YBYUUVKWZFSLES-MNOVXSKESA-N 0 1 375.820 0.361 20 0 GCADMN CN1CCN(c2cccc(N3C[C@H](NC(=O)C4CCC4)[C@@H]4COC[C@@H]43)n2)CC1 ZINC001164846215 720802015 /nfs/dbraw/zinc/80/20/15/720802015.db2.gz IOYYVJGYUPXMPU-BZSNNMDCSA-N 0 1 385.512 0.953 20 0 GCADMN NC(=O)c1cc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(C2CC2)n1 ZINC001164745987 720806960 /nfs/dbraw/zinc/80/69/60/720806960.db2.gz LAZJTBPCXYKHSF-ZIAGYGMSSA-N 0 1 381.440 0.585 20 0 GCADMN NS(=O)(=O)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868126 721056383 /nfs/dbraw/zinc/05/63/83/721056383.db2.gz MMRHHSIXYPNBTR-CVEARBPZSA-N 0 1 389.481 0.604 20 0 GCADMN C[C@@H]1C(=O)Nc2cnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nc2N1C ZINC001164770604 721139420 /nfs/dbraw/zinc/13/94/20/721139420.db2.gz RHBJFKKQGPOVGF-BMFZPTHFSA-N 0 1 396.499 0.945 20 0 GCADMN Cn1cc(CN2CC[C@H]3CN(c4ncc5c(n4)N(C)CC(=O)N5)C[C@H]3C2)cn1 ZINC001164761733 721156260 /nfs/dbraw/zinc/15/62/60/721156260.db2.gz AVGOLKAMHDQQPF-LSDHHAIUSA-N 0 1 382.472 0.557 20 0 GCADMN Cn1cc(CN2CC[C@@H]3CN(c4cc(S(N)(=O)=O)ccn4)C[C@H]3C2)cn1 ZINC001164772388 721219462 /nfs/dbraw/zinc/21/94/62/721219462.db2.gz UKGDOEDZRNBCID-HUUCEWRRSA-N 0 1 376.486 0.421 20 0 GCADMN CN1CCN(c2cccc(N3C[C@@H]4[C@H](C3)OCCN4c3cnccn3)n2)CC1 ZINC001164765383 721263039 /nfs/dbraw/zinc/26/30/39/721263039.db2.gz KSFRUXVHXHCGPV-SJORKVTESA-N 0 1 381.484 0.717 20 0 GCADMN CN(C)C(=O)CN1CCOCC2(CCN(c3ncnc4ncn(C)c43)CC2)C1 ZINC001164868988 721265178 /nfs/dbraw/zinc/26/51/78/721265178.db2.gz IJSLPJYYXXNSQQ-UHFFFAOYSA-N 0 1 387.488 0.370 20 0 GCADMN CON(C)C(=O)c1cccnc1N1CCn2cc(CN3CCN(C)CC3)nc2C1 ZINC001164797259 721516709 /nfs/dbraw/zinc/51/67/09/721516709.db2.gz JCLOISFWAGNMFM-UHFFFAOYSA-N 0 1 399.499 0.679 20 0 GCADMN CNS(=O)(=O)c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc1 ZINC001165010464 721744533 /nfs/dbraw/zinc/74/45/33/721744533.db2.gz MQPXUHYYKXACDE-UHFFFAOYSA-N 0 1 395.529 0.513 20 0 GCADMN Cc1noc(C[C@@H]2C[C@@H]3CN(c4ccc(N5CCN(C)CC5)nn4)C[C@@H]3O2)n1 ZINC001164959511 722040471 /nfs/dbraw/zinc/04/04/71/722040471.db2.gz HOFDKZKZHSTBEX-PMPSAXMXSA-N 0 1 385.472 0.756 20 0 GCADMN Cc1c(C(=O)N2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)nnn1C ZINC001571258291 945351465 /nfs/dbraw/zinc/35/14/65/945351465.db2.gz PGWCRKNFZBPTBN-CYBMUJFWSA-N 0 1 385.407 0.447 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)C3=COCCO3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571258721 945365055 /nfs/dbraw/zinc/36/50/55/945365055.db2.gz ACTMWTDUJOPAML-STQMWFEESA-N 0 1 385.428 0.932 20 0 GCADMN CC(C)(CO)N1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735670665 944688802 /nfs/dbraw/zinc/68/88/02/944688802.db2.gz GNKJIOKKIFPRKG-MRXNPFEDSA-N 0 1 385.472 0.361 20 0 GCADMN CC[C@@H]1CN(C(=O)c2ccns2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571261485 945426879 /nfs/dbraw/zinc/42/68/79/945426879.db2.gz GJVGFHPFXYLQPV-MNOVXSKESA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H]1CN(C(=O)c2csnn2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571261474 945427107 /nfs/dbraw/zinc/42/71/07/945427107.db2.gz GHQKJEKPNVUKRA-GHMZBOCLSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccsn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571262066 945433690 /nfs/dbraw/zinc/43/36/90/945433690.db2.gz MWNAAZZFAIKSTI-WDEREUQCSA-N 0 1 385.457 0.745 20 0 GCADMN Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)c2cnsn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263360 945457187 /nfs/dbraw/zinc/45/71/87/945457187.db2.gz NPQZGPAUALXZFL-VXGBXAGGSA-N 0 1 385.457 0.997 20 0 GCADMN O=C(N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1nccs1 ZINC001571263649 945463775 /nfs/dbraw/zinc/46/37/75/945463775.db2.gz VTRUUAODOUHRJY-MNOVXSKESA-N 0 1 385.457 0.936 20 0 GCADMN CC[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571264239 945477840 /nfs/dbraw/zinc/47/78/40/945477840.db2.gz JOOOVOMWBVCPKU-ZIAGYGMSSA-N 0 1 385.472 0.804 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N(C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001571264916 945495699 /nfs/dbraw/zinc/49/56/99/945495699.db2.gz AJRYNKDAQPARMR-ZDUSSCGKSA-N 0 1 385.476 0.487 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1)[C@H]1COCCO1 ZINC001571264944 945495735 /nfs/dbraw/zinc/49/57/35/945495735.db2.gz BEWKFJISGCETSC-GJMOJQLCSA-N 0 1 385.837 0.451 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571265018 945497032 /nfs/dbraw/zinc/49/70/32/945497032.db2.gz BBIWRUMDACZFEX-HIFRSBDPSA-N 0 1 385.476 0.852 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nnn[n-]3)n2)C1 ZINC001571265018 945497038 /nfs/dbraw/zinc/49/70/38/945497038.db2.gz BBIWRUMDACZFEX-HIFRSBDPSA-N 0 1 385.476 0.852 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571265018 945497044 /nfs/dbraw/zinc/49/70/44/945497044.db2.gz BBIWRUMDACZFEX-HIFRSBDPSA-N 0 1 385.476 0.852 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2nc(C)cc(-c3nn[n-]n3)n2)C1 ZINC001571265018 945497053 /nfs/dbraw/zinc/49/70/53/945497053.db2.gz BBIWRUMDACZFEX-HIFRSBDPSA-N 0 1 385.476 0.852 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571264997 945497261 /nfs/dbraw/zinc/49/72/61/945497261.db2.gz ANWDXPFFOSXIBX-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571264997 945497264 /nfs/dbraw/zinc/49/72/64/945497264.db2.gz ANWDXPFFOSXIBX-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571264997 945497266 /nfs/dbraw/zinc/49/72/66/945497266.db2.gz ANWDXPFFOSXIBX-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571264997 945497269 /nfs/dbraw/zinc/49/72/69/945497269.db2.gz ANWDXPFFOSXIBX-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265115 945498767 /nfs/dbraw/zinc/49/87/67/945498767.db2.gz DFCFQXBMWLOJGC-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265115 945498770 /nfs/dbraw/zinc/49/87/70/945498770.db2.gz DFCFQXBMWLOJGC-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265115 945498774 /nfs/dbraw/zinc/49/87/74/945498774.db2.gz DFCFQXBMWLOJGC-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265067 945499193 /nfs/dbraw/zinc/49/91/93/945499193.db2.gz BNHGXICKIAUDKR-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265067 945499198 /nfs/dbraw/zinc/49/91/98/945499198.db2.gz BNHGXICKIAUDKR-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265067 945499203 /nfs/dbraw/zinc/49/92/03/945499203.db2.gz BNHGXICKIAUDKR-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265067 945499209 /nfs/dbraw/zinc/49/92/09/945499209.db2.gz BNHGXICKIAUDKR-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C)n1 ZINC001571265105 945499218 /nfs/dbraw/zinc/49/92/18/945499218.db2.gz CZMGKRQORKTZIL-TZMCWYRMSA-N 0 1 385.476 0.851 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)n1 ZINC001571265105 945499221 /nfs/dbraw/zinc/49/92/21/945499221.db2.gz CZMGKRQORKTZIL-TZMCWYRMSA-N 0 1 385.476 0.851 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265117 945499968 /nfs/dbraw/zinc/49/99/68/945499968.db2.gz DFCFQXBMWLOJGC-ZIAGYGMSSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265117 945499972 /nfs/dbraw/zinc/49/99/72/945499972.db2.gz DFCFQXBMWLOJGC-ZIAGYGMSSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265117 945499977 /nfs/dbraw/zinc/49/99/77/945499977.db2.gz DFCFQXBMWLOJGC-ZIAGYGMSSA-N 0 1 385.476 0.616 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571265136 945500942 /nfs/dbraw/zinc/50/09/42/945500942.db2.gz DTZHRJYJTDVBBK-KBPBESRZSA-N 0 1 385.476 0.344 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571265136 945500944 /nfs/dbraw/zinc/50/09/44/945500944.db2.gz DTZHRJYJTDVBBK-KBPBESRZSA-N 0 1 385.476 0.344 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571265136 945500948 /nfs/dbraw/zinc/50/09/48/945500948.db2.gz DTZHRJYJTDVBBK-KBPBESRZSA-N 0 1 385.476 0.344 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571265136 945500956 /nfs/dbraw/zinc/50/09/56/945500956.db2.gz DTZHRJYJTDVBBK-KBPBESRZSA-N 0 1 385.476 0.344 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nnn[n-]2)n1 ZINC001571265147 945501510 /nfs/dbraw/zinc/50/15/10/945501510.db2.gz DYTIIGKQRKLDMG-KBPBESRZSA-N 0 1 385.476 0.356 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571265147 945501517 /nfs/dbraw/zinc/50/15/17/945501517.db2.gz DYTIIGKQRKLDMG-KBPBESRZSA-N 0 1 385.476 0.356 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001571265147 945501520 /nfs/dbraw/zinc/50/15/20/945501520.db2.gz DYTIIGKQRKLDMG-KBPBESRZSA-N 0 1 385.476 0.356 20 0 GCADMN C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571265405 945509502 /nfs/dbraw/zinc/50/95/02/945509502.db2.gz JNAHGQOEYINEIM-HDJSIYSDSA-N 0 1 385.476 0.695 20 0 GCADMN C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571265405 945509510 /nfs/dbraw/zinc/50/95/10/945509510.db2.gz JNAHGQOEYINEIM-HDJSIYSDSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265433 945510078 /nfs/dbraw/zinc/51/00/78/945510078.db2.gz GRQKAQCCUJFYJQ-HNNXBMFYSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265433 945510084 /nfs/dbraw/zinc/51/00/84/945510084.db2.gz GRQKAQCCUJFYJQ-HNNXBMFYSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265433 945510088 /nfs/dbraw/zinc/51/00/88/945510088.db2.gz GRQKAQCCUJFYJQ-HNNXBMFYSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265433 945510094 /nfs/dbraw/zinc/51/00/94/945510094.db2.gz GRQKAQCCUJFYJQ-HNNXBMFYSA-N 0 1 385.476 0.426 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[nH]n4)nn3)C2)CC[N@H+]1C ZINC001571265565 945513028 /nfs/dbraw/zinc/51/30/28/945513028.db2.gz INMGHQUNJXYFHB-KCQAQPDRSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)CC[N@@H+]1C ZINC001571265565 945513036 /nfs/dbraw/zinc/51/30/36/945513036.db2.gz INMGHQUNJXYFHB-KCQAQPDRSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(-c4nnn[n-]4)nn3)C2)CC[N@H+]1C ZINC001571265565 945513042 /nfs/dbraw/zinc/51/30/42/945513042.db2.gz INMGHQUNJXYFHB-KCQAQPDRSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)CC[N@@H+]1C ZINC001571265565 945513050 /nfs/dbraw/zinc/51/30/50/945513050.db2.gz INMGHQUNJXYFHB-KCQAQPDRSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)CC[N@H+]1C ZINC001571265565 945513057 /nfs/dbraw/zinc/51/30/57/945513057.db2.gz INMGHQUNJXYFHB-KCQAQPDRSA-N 0 1 385.476 0.424 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571265725 945517740 /nfs/dbraw/zinc/51/77/40/945517740.db2.gz JDQPJPIAFIQEPX-HIFRSBDPSA-N 0 1 385.476 0.616 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571265725 945517748 /nfs/dbraw/zinc/51/77/48/945517748.db2.gz JDQPJPIAFIQEPX-HIFRSBDPSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571265733 945518965 /nfs/dbraw/zinc/51/89/65/945518965.db2.gz JGHRRNAUFQAMGX-STQMWFEESA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571265733 945518973 /nfs/dbraw/zinc/51/89/73/945518973.db2.gz JGHRRNAUFQAMGX-STQMWFEESA-N 0 1 385.476 0.790 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571265724 945519421 /nfs/dbraw/zinc/51/94/21/945519421.db2.gz JDQPJPIAFIQEPX-DZGCQCFKSA-N 0 1 385.476 0.616 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571265724 945519425 /nfs/dbraw/zinc/51/94/25/945519425.db2.gz JDQPJPIAFIQEPX-DZGCQCFKSA-N 0 1 385.476 0.616 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571265766 945520623 /nfs/dbraw/zinc/52/06/23/945520623.db2.gz JVYLWUOMOUHOKZ-JXQTWKCFSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571265766 945520629 /nfs/dbraw/zinc/52/06/29/945520629.db2.gz JVYLWUOMOUHOKZ-JXQTWKCFSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571265766 945520638 /nfs/dbraw/zinc/52/06/38/945520638.db2.gz JVYLWUOMOUHOKZ-JXQTWKCFSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571265766 945520646 /nfs/dbraw/zinc/52/06/46/945520646.db2.gz JVYLWUOMOUHOKZ-JXQTWKCFSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001571265824 945520991 /nfs/dbraw/zinc/52/09/91/945520991.db2.gz PUQKAJWGVWPDTG-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265824 945520999 /nfs/dbraw/zinc/52/09/99/945520999.db2.gz PUQKAJWGVWPDTG-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265824 945521003 /nfs/dbraw/zinc/52/10/03/945521003.db2.gz PUQKAJWGVWPDTG-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265824 945521012 /nfs/dbraw/zinc/52/10/12/945521012.db2.gz PUQKAJWGVWPDTG-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265824 945521015 /nfs/dbraw/zinc/52/10/15/945521015.db2.gz PUQKAJWGVWPDTG-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265770 945521171 /nfs/dbraw/zinc/52/11/71/945521171.db2.gz JWDVMHNHWZOCHE-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265770 945521175 /nfs/dbraw/zinc/52/11/75/945521175.db2.gz JWDVMHNHWZOCHE-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265770 945521178 /nfs/dbraw/zinc/52/11/78/945521178.db2.gz JWDVMHNHWZOCHE-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265770 945521184 /nfs/dbraw/zinc/52/11/84/945521184.db2.gz JWDVMHNHWZOCHE-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2cncc(-c3nn[nH]n3)n2)CC1 ZINC001571265825 945521203 /nfs/dbraw/zinc/52/12/03/945521203.db2.gz PUQKAJWGVWPDTG-JSGCOSHPSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265825 945521210 /nfs/dbraw/zinc/52/12/10/945521210.db2.gz PUQKAJWGVWPDTG-JSGCOSHPSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265825 945521216 /nfs/dbraw/zinc/52/12/16/945521216.db2.gz PUQKAJWGVWPDTG-JSGCOSHPSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265825 945521225 /nfs/dbraw/zinc/52/12/25/945521225.db2.gz PUQKAJWGVWPDTG-JSGCOSHPSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265825 945521232 /nfs/dbraw/zinc/52/12/32/945521232.db2.gz PUQKAJWGVWPDTG-JSGCOSHPSA-N 0 1 385.476 0.330 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001571265813 945521456 /nfs/dbraw/zinc/52/14/56/945521456.db2.gz PLGHXLKXDZOLSA-ZFWWWQNUSA-N 0 1 385.476 0.852 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001571265813 945521462 /nfs/dbraw/zinc/52/14/62/945521462.db2.gz PLGHXLKXDZOLSA-ZFWWWQNUSA-N 0 1 385.476 0.852 20 0 GCADMN O=C(c1cncc(Cl)c1)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571265819 945521882 /nfs/dbraw/zinc/52/18/82/945521882.db2.gz PQDJGEVTENXUQF-UHFFFAOYSA-N 0 1 385.819 0.844 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265778 945522103 /nfs/dbraw/zinc/52/21/03/945522103.db2.gz JXENXIMMVNVOBT-ZFWWWQNUSA-N 0 1 385.476 0.934 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265778 945522111 /nfs/dbraw/zinc/52/21/11/945522111.db2.gz JXENXIMMVNVOBT-ZFWWWQNUSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265903 945523868 /nfs/dbraw/zinc/52/38/68/945523868.db2.gz KQVNLVWKTRAQRO-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265903 945523877 /nfs/dbraw/zinc/52/38/77/945523877.db2.gz KQVNLVWKTRAQRO-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571265935 945526084 /nfs/dbraw/zinc/52/60/84/945526084.db2.gz LFAUPZCMKUHCDJ-RUXDESIVSA-N 0 1 385.476 0.836 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571265935 945526089 /nfs/dbraw/zinc/52/60/89/945526089.db2.gz LFAUPZCMKUHCDJ-RUXDESIVSA-N 0 1 385.476 0.836 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265935 945526095 /nfs/dbraw/zinc/52/60/95/945526095.db2.gz LFAUPZCMKUHCDJ-RUXDESIVSA-N 0 1 385.476 0.836 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265935 945526100 /nfs/dbraw/zinc/52/61/00/945526100.db2.gz LFAUPZCMKUHCDJ-RUXDESIVSA-N 0 1 385.476 0.836 20 0 GCADMN CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[NH+](C)C ZINC001571265947 945526351 /nfs/dbraw/zinc/52/63/51/945526351.db2.gz LONVKYAOCACCGT-ZENOOKHLSA-N 0 1 385.476 0.423 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571265962 945526642 /nfs/dbraw/zinc/52/66/42/945526642.db2.gz LTMYWPZQYDQQDW-OCCSQVGLSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571265962 945526648 /nfs/dbraw/zinc/52/66/48/945526648.db2.gz LTMYWPZQYDQQDW-OCCSQVGLSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1)[NH+](C)C ZINC001571265990 945527226 /nfs/dbraw/zinc/52/72/26/945527226.db2.gz MKJVVTUYCARFEZ-GUTXKFCHSA-N 0 1 385.476 0.138 20 0 GCADMN Cn1cc(Cl)cc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571266054 945528351 /nfs/dbraw/zinc/52/83/51/945528351.db2.gz VCAZYISRLCSBTM-QWRGUYRKSA-N 0 1 385.819 0.752 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571266217 945534306 /nfs/dbraw/zinc/53/43/06/945534306.db2.gz NVBWAUQVIQEIHL-HIFRSBDPSA-N 0 1 385.476 0.934 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571266217 945534313 /nfs/dbraw/zinc/53/43/13/945534313.db2.gz NVBWAUQVIQEIHL-HIFRSBDPSA-N 0 1 385.476 0.934 20 0 GCADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571266216 945534582 /nfs/dbraw/zinc/53/45/82/945534582.db2.gz NVBWAUQVIQEIHL-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001571266216 945534589 /nfs/dbraw/zinc/53/45/89/945534589.db2.gz NVBWAUQVIQEIHL-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001571266316 945536105 /nfs/dbraw/zinc/53/61/05/945536105.db2.gz ZDAQMPOLRRDSNK-CQSZACIVSA-N 0 1 385.476 0.392 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@@H]2CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001571266316 945536109 /nfs/dbraw/zinc/53/61/09/945536109.db2.gz ZDAQMPOLRRDSNK-CQSZACIVSA-N 0 1 385.476 0.392 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001571266395 945538589 /nfs/dbraw/zinc/53/85/89/945538589.db2.gz PUWFUHWCNRFLPC-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266395 945538598 /nfs/dbraw/zinc/53/85/98/945538598.db2.gz PUWFUHWCNRFLPC-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266395 945538601 /nfs/dbraw/zinc/53/86/01/945538601.db2.gz PUWFUHWCNRFLPC-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571266399 945538699 /nfs/dbraw/zinc/53/86/99/945538699.db2.gz PVKQLMMUTJUAIC-IHRRRGAJSA-N 0 1 385.476 0.401 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266399 945538706 /nfs/dbraw/zinc/53/87/06/945538706.db2.gz PVKQLMMUTJUAIC-IHRRRGAJSA-N 0 1 385.476 0.401 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266399 945538712 /nfs/dbraw/zinc/53/87/12/945538712.db2.gz PVKQLMMUTJUAIC-IHRRRGAJSA-N 0 1 385.476 0.401 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571266355 945538847 /nfs/dbraw/zinc/53/88/47/945538847.db2.gz PCXDOIAOLKYHLF-CQSZACIVSA-N 0 1 385.476 0.568 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571266355 945538854 /nfs/dbraw/zinc/53/88/54/945538854.db2.gz PCXDOIAOLKYHLF-CQSZACIVSA-N 0 1 385.476 0.568 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571266355 945538860 /nfs/dbraw/zinc/53/88/60/945538860.db2.gz PCXDOIAOLKYHLF-CQSZACIVSA-N 0 1 385.476 0.568 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC[N@@H+]1C ZINC001571266347 945539163 /nfs/dbraw/zinc/53/91/63/945539163.db2.gz ZYDPGKSRTNDJSO-HZSPNIEDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC[N@H+]1C ZINC001571266347 945539170 /nfs/dbraw/zinc/53/91/70/945539170.db2.gz ZYDPGKSRTNDJSO-HZSPNIEDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC[N@@H+]1C ZINC001571266347 945539174 /nfs/dbraw/zinc/53/91/74/945539174.db2.gz ZYDPGKSRTNDJSO-HZSPNIEDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC[N@H+]1C ZINC001571266347 945539186 /nfs/dbraw/zinc/53/91/86/945539186.db2.gz ZYDPGKSRTNDJSO-HZSPNIEDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001571266394 945539320 /nfs/dbraw/zinc/53/93/20/945539320.db2.gz PUWFUHWCNRFLPC-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266394 945539326 /nfs/dbraw/zinc/53/93/26/945539326.db2.gz PUWFUHWCNRFLPC-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266394 945539330 /nfs/dbraw/zinc/53/93/30/945539330.db2.gz PUWFUHWCNRFLPC-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571266374 945539386 /nfs/dbraw/zinc/53/93/86/945539386.db2.gz PJACEWBYGHFWFS-CQSZACIVSA-N 0 1 385.476 0.792 20 0 GCADMN C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571266374 945539392 /nfs/dbraw/zinc/53/93/92/945539392.db2.gz PJACEWBYGHFWFS-CQSZACIVSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)[C@@H](C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001571266458 945541420 /nfs/dbraw/zinc/54/14/20/945541420.db2.gz QZFDZWNHHKSFCP-BBRMVZONSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[C@@H](C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001571266458 945541431 /nfs/dbraw/zinc/54/14/31/945541431.db2.gz QZFDZWNHHKSFCP-BBRMVZONSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571266441 945541832 /nfs/dbraw/zinc/54/18/32/945541832.db2.gz QSAHAILLUFKYBO-ZIAGYGMSSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266441 945541839 /nfs/dbraw/zinc/54/18/39/945541839.db2.gz QSAHAILLUFKYBO-ZIAGYGMSSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266441 945541845 /nfs/dbraw/zinc/54/18/45/945541845.db2.gz QSAHAILLUFKYBO-ZIAGYGMSSA-N 0 1 385.476 0.472 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001571266406 945542021 /nfs/dbraw/zinc/54/20/21/945542021.db2.gz QCEACRIBLLOULT-CLRIEMFWSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NC2CC(CNc3nccnc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571266406 945542024 /nfs/dbraw/zinc/54/20/24/945542024.db2.gz QCEACRIBLLOULT-CLRIEMFWSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571266406 945542029 /nfs/dbraw/zinc/54/20/29/945542029.db2.gz QCEACRIBLLOULT-CLRIEMFWSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NC2CC(CNc3nccnc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571266406 945542031 /nfs/dbraw/zinc/54/20/31/945542031.db2.gz QCEACRIBLLOULT-CLRIEMFWSA-N 0 1 385.476 0.694 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001571266557 945543998 /nfs/dbraw/zinc/54/39/98/945543998.db2.gz UFHGQAJNHGUIRH-AWEZNQCLSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001571266557 945544007 /nfs/dbraw/zinc/54/40/07/945544007.db2.gz UFHGQAJNHGUIRH-AWEZNQCLSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001571266557 945544016 /nfs/dbraw/zinc/54/40/16/945544016.db2.gz UFHGQAJNHGUIRH-AWEZNQCLSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001571266557 945544023 /nfs/dbraw/zinc/54/40/23/945544023.db2.gz UFHGQAJNHGUIRH-AWEZNQCLSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571266612 945546248 /nfs/dbraw/zinc/54/62/48/945546248.db2.gz VITCKLQASZIFTI-HSBZDZAISA-N 0 1 385.476 0.260 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571266612 945546255 /nfs/dbraw/zinc/54/62/55/945546255.db2.gz VITCKLQASZIFTI-HSBZDZAISA-N 0 1 385.476 0.260 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571266612 945546267 /nfs/dbraw/zinc/54/62/67/945546267.db2.gz VITCKLQASZIFTI-HSBZDZAISA-N 0 1 385.476 0.260 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266582 945547085 /nfs/dbraw/zinc/54/70/85/945547085.db2.gz ULEPPGDRYKULGI-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266582 945547090 /nfs/dbraw/zinc/54/70/90/945547090.db2.gz ULEPPGDRYKULGI-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266582 945547097 /nfs/dbraw/zinc/54/70/97/945547097.db2.gz ULEPPGDRYKULGI-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266582 945547099 /nfs/dbraw/zinc/54/70/99/945547099.db2.gz ULEPPGDRYKULGI-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571266685 945549235 /nfs/dbraw/zinc/54/92/35/945549235.db2.gz WNQKFXBVUXWSIS-UKRRQHHQSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571266685 945549241 /nfs/dbraw/zinc/54/92/41/945549241.db2.gz WNQKFXBVUXWSIS-UKRRQHHQSA-N 0 1 385.476 0.792 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571266666 945549974 /nfs/dbraw/zinc/54/99/74/945549974.db2.gz WEMSEYGZLOABSR-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+](CC(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001571266665 945550227 /nfs/dbraw/zinc/55/02/27/945550227.db2.gz WELMAOORCSIFHP-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@@H+](CC(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001571266665 945550233 /nfs/dbraw/zinc/55/02/33/945550233.db2.gz WELMAOORCSIFHP-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001571266715 945550451 /nfs/dbraw/zinc/55/04/51/945550451.db2.gz XWHKNSFCQYOPHH-CZUORRHYSA-N 0 1 385.476 0.790 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cncc(-c2nn[nH]n2)n1 ZINC001571266778 945552222 /nfs/dbraw/zinc/55/22/22/945552222.db2.gz ZDPCNMCJOYOJEI-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571266778 945552227 /nfs/dbraw/zinc/55/22/27/945552227.db2.gz ZDPCNMCJOYOJEI-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cncc(-c2nnn[n-]2)n1 ZINC001571266778 945552237 /nfs/dbraw/zinc/55/22/37/945552237.db2.gz ZDPCNMCJOYOJEI-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571266778 945552241 /nfs/dbraw/zinc/55/22/41/945552241.db2.gz ZDPCNMCJOYOJEI-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1)c1cncc(-c2nn[n-]n2)n1 ZINC001571266778 945552252 /nfs/dbraw/zinc/55/22/52/945552252.db2.gz ZDPCNMCJOYOJEI-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571267379 945568554 /nfs/dbraw/zinc/56/85/54/945568554.db2.gz SOZBZAPBMXJAGA-LBPRGKRZSA-N 0 1 386.391 0.747 20 0 GCADMN O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cc(F)ccc1F ZINC001571267603 945574560 /nfs/dbraw/zinc/57/45/60/945574560.db2.gz ZRBXMSHBWBJNOR-HOMQSWHASA-N 0 1 386.366 0.977 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571267830 945579940 /nfs/dbraw/zinc/57/99/40/945579940.db2.gz GDTUOYYETFYDHU-MWLCHTKSSA-N 0 1 386.395 0.294 20 0 GCADMN O=C(Cc1n[nH]c(C2CCOCC2)n1)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571267865 945581453 /nfs/dbraw/zinc/58/14/53/945581453.db2.gz GYNAXKBBOBENEE-UHFFFAOYSA-N 0 1 386.391 0.877 20 0 GCADMN Cc1cc(N2CCC(CNC(=O)[C@@H]3COC(=O)N3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571268147 945587430 /nfs/dbraw/zinc/58/74/30/945587430.db2.gz BHTUHPYNTBOUQX-ZDUSSCGKSA-N 0 1 386.416 0.011 20 0 GCADMN C[C@@H]1C[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)CN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571268188 945590259 /nfs/dbraw/zinc/59/02/59/945590259.db2.gz CELNIYQYVUMTRZ-JNDNVOJLSA-N 0 1 386.431 0.977 20 0 GCADMN Cc1nn(C)c(F)c1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571268309 945592359 /nfs/dbraw/zinc/59/23/59/945592359.db2.gz RDJVTBDQIFTART-JTQLQIEISA-N 0 1 386.395 0.189 20 0 GCADMN Cc1cscc1C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 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ZINC001571282581 945851188 /nfs/dbraw/zinc/85/11/88/945851188.db2.gz LDVAGHVMOZDCPA-CYBMUJFWSA-N 0 1 387.444 0.808 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1 ZINC001571282802 945860836 /nfs/dbraw/zinc/86/08/36/945860836.db2.gz RLPLAIWEARGADB-AWEZNQCLSA-N 0 1 387.463 0.992 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCN(Cc3ccc(F)c(-c4nn[n-]n4)c3)CC2)C1 ZINC001571282802 945860853 /nfs/dbraw/zinc/86/08/53/945860853.db2.gz RLPLAIWEARGADB-AWEZNQCLSA-N 0 1 387.463 0.992 20 0 GCADMN O=C(CC1CCOCC1)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571282821 945861455 /nfs/dbraw/zinc/86/14/55/945861455.db2.gz RYJMLQRQFHWAIQ-CQSZACIVSA-N 0 1 387.444 0.140 20 0 GCADMN O=C([C@@H]1COCCO1)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571282893 945867398 /nfs/dbraw/zinc/86/73/98/945867398.db2.gz UWPWHWYLBWDFJU-CJNGLKHVSA-N 0 1 387.444 0.140 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573453825 945868703 /nfs/dbraw/zinc/86/87/03/945868703.db2.gz RAAVKKWJKONHSA-KPZWWZAWSA-N 0 1 388.476 0.459 20 0 GCADMN O=C(NC[C@@H]1CCC2(CN(C[C@@H]3CCOC3)C2)O1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283001 945873017 /nfs/dbraw/zinc/87/30/17/945873017.db2.gz XTGUKCHTHMVEHZ-JSGCOSHPSA-N 0 1 387.444 0.195 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001573455244 945878333 /nfs/dbraw/zinc/87/83/33/945878333.db2.gz AJPGDRZLAPTHNR-CQSZACIVSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)N[C@](C)(C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573455541 945880891 /nfs/dbraw/zinc/88/08/91/945880891.db2.gz DSHDMGJVXZEYLU-XIKOKIGWSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573455538 945882027 /nfs/dbraw/zinc/88/20/27/945882027.db2.gz DSHDMGJVXZEYLU-KPZWWZAWSA-N 0 1 388.476 0.459 20 0 GCADMN CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)[NH+](C)C ZINC001571283853 945889133 /nfs/dbraw/zinc/88/91/33/945889133.db2.gz JGOHFPIFJJFRFA-UMVBOHGHSA-N 0 1 387.492 0.893 20 0 GCADMN CC[C@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)[NH+](C)C ZINC001571283853 945889153 /nfs/dbraw/zinc/88/91/53/945889153.db2.gz JGOHFPIFJJFRFA-UMVBOHGHSA-N 0 1 387.492 0.893 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573456451 945895091 /nfs/dbraw/zinc/89/50/91/945895091.db2.gz KVVVHWIUKOJGGT-OAHLLOKOSA-N 0 1 386.460 0.247 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571284194 945896332 /nfs/dbraw/zinc/89/63/32/945896332.db2.gz MNASTFYIIOIWKM-MLGOLLRUSA-N 0 1 387.492 0.818 20 0 GCADMN CC(C)[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nnn[n-]2)C1)[NH+](C)C ZINC001571284118 945897348 /nfs/dbraw/zinc/89/73/48/945897348.db2.gz LTZUMCYZFJCPOC-HIFRSBDPSA-N 0 1 387.492 0.670 20 0 GCADMN CC(C)[C@@H](C(=O)N1CCC[C@@H](N(C)c2nccnc2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571284118 945897358 /nfs/dbraw/zinc/89/73/58/945897358.db2.gz LTZUMCYZFJCPOC-HIFRSBDPSA-N 0 1 387.492 0.670 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573457024 945902781 /nfs/dbraw/zinc/90/27/81/945902781.db2.gz SGMYXDJGTTZSIU-ZDUSSCGKSA-N 0 1 386.460 0.249 20 0 GCADMN COC(=O)c1nccc(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)n1 ZINC001571285573 945921387 /nfs/dbraw/zinc/92/13/87/945921387.db2.gz IVQYATJTUIBZHL-UHFFFAOYSA-N 0 1 388.369 0.518 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573461597 945921911 /nfs/dbraw/zinc/92/19/11/945921911.db2.gz PZFCTTKKKLCYGW-LBPRGKRZSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573461597 945921916 /nfs/dbraw/zinc/92/19/16/945921916.db2.gz PZFCTTKKKLCYGW-LBPRGKRZSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573461878 945925413 /nfs/dbraw/zinc/92/54/13/945925413.db2.gz SKBKUGFYPQOCNG-ZDUSSCGKSA-N 0 1 386.460 0.310 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573461998 945927255 /nfs/dbraw/zinc/92/72/55/945927255.db2.gz VOBLQMILHOLUGA-HNNXBMFYSA-N 0 1 386.460 0.213 20 0 GCADMN O=S(=O)(NCC(F)(F)C1(O)CCCCC1)c1cccnc1-c1nn[nH]n1 ZINC001571285797 945927212 /nfs/dbraw/zinc/92/72/12/945927212.db2.gz OJGSRADJZPJJGB-UHFFFAOYSA-N 0 1 388.400 0.871 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573462009 945927301 /nfs/dbraw/zinc/92/73/01/945927301.db2.gz VSSQAYSNRVMZEP-UHFFFAOYSA-N 0 1 386.460 0.310 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573462045 945930095 /nfs/dbraw/zinc/93/00/95/945930095.db2.gz WWLKYEFKIKLTHM-VHSXEESVSA-N 0 1 379.490 0.826 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573462045 945930098 /nfs/dbraw/zinc/93/00/98/945930098.db2.gz WWLKYEFKIKLTHM-VHSXEESVSA-N 0 1 379.490 0.826 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573462044 945930162 /nfs/dbraw/zinc/93/01/62/945930162.db2.gz WWLKYEFKIKLTHM-UWVGGRQHSA-N 0 1 379.490 0.826 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573462044 945930168 /nfs/dbraw/zinc/93/01/68/945930168.db2.gz WWLKYEFKIKLTHM-UWVGGRQHSA-N 0 1 379.490 0.826 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573462232 945934035 /nfs/dbraw/zinc/93/40/35/945934035.db2.gz DBSWAYWBPUNPTR-CYBMUJFWSA-N 0 1 386.460 0.509 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573462322 945936338 /nfs/dbraw/zinc/93/63/38/945936338.db2.gz GMRVWAJPWDOWLM-CYBMUJFWSA-N 0 1 386.460 0.427 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573462300 945937018 /nfs/dbraw/zinc/93/70/18/945937018.db2.gz FUKRYOYHSBUFAZ-ZYHUDNBSSA-N 0 1 387.448 0.045 20 0 GCADMN Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822028493 945943389 /nfs/dbraw/zinc/94/33/89/945943389.db2.gz ORDGAJWCLGDGJM-UHFFFAOYSA-N 0 1 399.484 0.954 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573463994 945963763 /nfs/dbraw/zinc/96/37/63/945963763.db2.gz FNXBOIQOFYKYAW-QWHCGFSZSA-N 0 1 386.460 0.295 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)NC3CC(CC(N)=O)C3)CC2)o1 ZINC001571287070 945969051 /nfs/dbraw/zinc/96/90/51/945969051.db2.gz ZSLUHXJFXIYTCW-UHFFFAOYSA-N 0 1 388.432 0.150 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)CCCN(C)Cc1cc(-c2nn[nH]n2)ccc1F ZINC001573467555 945981275 /nfs/dbraw/zinc/98/12/75/945981275.db2.gz FASFVSOVOUGCKM-GFCCVEGCSA-N 0 1 391.451 0.811 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573467646 945983344 /nfs/dbraw/zinc/98/33/44/945983344.db2.gz GXSDOVBMUSDXHQ-NSHDSACASA-N 0 1 377.424 0.421 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001573468575 945997674 /nfs/dbraw/zinc/99/76/74/945997674.db2.gz PMBWSJKZHFZVJO-WDEREUQCSA-N 0 1 377.424 0.467 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)CCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573468634 945998542 /nfs/dbraw/zinc/99/85/42/945998542.db2.gz QBFYAXGZVUCKGE-SSDOTTSWSA-N 0 1 386.869 0.396 20 0 GCADMN CC1CCN(CC(=O)N[C@@H]2CCN(c3ncc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC001571289616 946012770 /nfs/dbraw/zinc/01/27/70/946012770.db2.gz IUEHHYDUVYTQQD-CQSZACIVSA-N 0 1 388.451 0.828 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573469962 946014685 /nfs/dbraw/zinc/01/46/85/946014685.db2.gz AIJZYHMLQQQGIU-LLVKDONJSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573469962 946014692 /nfs/dbraw/zinc/01/46/92/946014692.db2.gz AIJZYHMLQQQGIU-LLVKDONJSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573470059 946017103 /nfs/dbraw/zinc/01/71/03/946017103.db2.gz AYGJZUSDEICGRQ-DGCLKSJQSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573470059 946017113 /nfs/dbraw/zinc/01/71/13/946017113.db2.gz AYGJZUSDEICGRQ-DGCLKSJQSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573470059 946017125 /nfs/dbraw/zinc/01/71/25/946017125.db2.gz AYGJZUSDEICGRQ-DGCLKSJQSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573470059 946017136 /nfs/dbraw/zinc/01/71/36/946017136.db2.gz AYGJZUSDEICGRQ-DGCLKSJQSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573470294 946020382 /nfs/dbraw/zinc/02/03/82/946020382.db2.gz CINWVSGLUUUNEF-YPMHNXCESA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573470294 946020396 /nfs/dbraw/zinc/02/03/96/946020396.db2.gz CINWVSGLUUUNEF-YPMHNXCESA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001573470515 946027026 /nfs/dbraw/zinc/02/70/26/946027026.db2.gz GIEDHRAHWTUHNK-GXTWGEPZSA-N 0 1 386.460 0.391 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573470570 946030054 /nfs/dbraw/zinc/03/00/54/946030054.db2.gz HCVAZANRGJAHJY-BXUZGUMPSA-N 0 1 389.435 0.563 20 0 GCADMN Cn1nnc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001571290144 946030799 /nfs/dbraw/zinc/03/07/99/946030799.db2.gz VZGXATKBONGJPQ-KOLCDFICSA-N 0 1 388.461 0.140 20 0 GCADMN Cn1nnc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001571290144 946030809 /nfs/dbraw/zinc/03/08/09/946030809.db2.gz VZGXATKBONGJPQ-KOLCDFICSA-N 0 1 388.461 0.140 20 0 GCADMN Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)c1[O-] ZINC001571290210 946031466 /nfs/dbraw/zinc/03/14/66/946031466.db2.gz XPDMFMNSKCGQBY-SNVBAGLBSA-N 0 1 388.457 0.917 20 0 GCADMN CCC(C)(C)C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571290264 946033894 /nfs/dbraw/zinc/03/38/94/946033894.db2.gz YVYPJHIIMNLLPJ-ZDUSSCGKSA-N 0 1 388.476 0.883 20 0 GCADMN O=C(CCN1CC[C@H](F)C1)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571290261 946035799 /nfs/dbraw/zinc/03/57/99/946035799.db2.gz YVRAXWKFMUQGCG-AWEZNQCLSA-N 0 1 388.451 0.781 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC([C@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573470989 946040496 /nfs/dbraw/zinc/04/04/96/946040496.db2.gz LNESUFABNJSTPU-RYUDHWBXSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC([C@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573470987 946041368 /nfs/dbraw/zinc/04/13/68/946041368.db2.gz LNESUFABNJSTPU-NWDGAFQWSA-N 0 1 386.460 0.247 20 0 GCADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3ccc(Cl)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571290718 946054288 /nfs/dbraw/zinc/05/42/88/946054288.db2.gz NCWXUJUZFPAQQC-DGCLKSJQSA-N 0 1 388.819 0.531 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC(CN(C)c2ccncc2-c2nn[nH]n2)CC1 ZINC001573471723 946056015 /nfs/dbraw/zinc/05/60/15/946056015.db2.gz QNMDJPIIKVFTNY-LBPRGKRZSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573472128 946059447 /nfs/dbraw/zinc/05/94/47/946059447.db2.gz SPJSLYDGOVXBLS-SGTLLEGYSA-N 0 1 384.444 0.215 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472355 946064489 /nfs/dbraw/zinc/06/44/89/946064489.db2.gz VRRXGZOKKJNOTO-JQWIXIFHSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472355 946064501 /nfs/dbraw/zinc/06/45/01/946064501.db2.gz VRRXGZOKKJNOTO-JQWIXIFHSA-N 0 1 377.474 0.486 20 0 GCADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 ZINC001571291048 946067121 /nfs/dbraw/zinc/06/71/21/946067121.db2.gz ZJGCNRWYUSRQKV-LLVKDONJSA-N 0 1 388.823 0.244 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472664 946067907 /nfs/dbraw/zinc/06/79/07/946067907.db2.gz XCFCZWGYQXZXLO-WCQYABFASA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573472664 946067918 /nfs/dbraw/zinc/06/79/18/946067918.db2.gz XCFCZWGYQXZXLO-WCQYABFASA-N 0 1 391.501 0.781 20 0 GCADMN O=C(c1ccn(C(F)F)n1)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571291408 946073864 /nfs/dbraw/zinc/07/38/64/946073864.db2.gz JBKPSHDRQMYUKJ-JTQLQIEISA-N 0 1 389.370 0.992 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573472956 946074218 /nfs/dbraw/zinc/07/42/18/946074218.db2.gz YISLRJAMSPKUCC-GXTWGEPZSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573473163 946076375 /nfs/dbraw/zinc/07/63/75/946076375.db2.gz ZUXDXCIHEGZCNL-JSGCOSHPSA-N 0 1 386.460 0.310 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@](C)(CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573473779 946081791 /nfs/dbraw/zinc/08/17/91/946081791.db2.gz FIFJPCVYELQUMW-ZMZPIMSZSA-N 0 1 386.460 0.213 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@H](C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 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C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573591682 947317397 /nfs/dbraw/zinc/31/73/97/947317397.db2.gz DHLUMWLNOVQONO-NWDGAFQWSA-N 0 1 386.416 0.309 20 0 GCADMN C[C@H](C(=O)N(C)C)N1CCC[C@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573592500 947340574 /nfs/dbraw/zinc/34/05/74/947340574.db2.gz CSZYQMDNVJDMDY-KZULUSFZSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@H](C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573592640 947341736 /nfs/dbraw/zinc/34/17/36/947341736.db2.gz LPXZJLFAVHORQO-GFCCVEGCSA-N 0 1 382.432 0.542 20 0 GCADMN C[C@H](C(=O)N(C)C)N1C[C@@H]2CCC[C@]2(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573593609 947375352 /nfs/dbraw/zinc/37/53/52/947375352.db2.gz KZVFMRQZLNRIHH-YNKQFZHNSA-N 0 1 386.460 0.256 20 0 GCADMN C[C@@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573595175 947417085 /nfs/dbraw/zinc/41/70/85/947417085.db2.gz GCKTXPPAWXZONL-GFCCVEGCSA-N 0 1 384.448 0.479 20 0 GCADMN 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/nfs/dbraw/zinc/63/20/18/947632018.db2.gz KRXSMDSYVKTMBZ-QWHCGFSZSA-N 0 1 381.444 0.481 20 0 GCADMN C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573617924 947643000 /nfs/dbraw/zinc/64/30/00/947643000.db2.gz QYVPNBFBCPWKFE-GFCCVEGCSA-N 0 1 382.432 0.187 20 0 GCADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573617958 947646448 /nfs/dbraw/zinc/64/64/48/947646448.db2.gz RHFPSJXZZBVMHX-ACJLOTCBSA-N 0 1 381.444 0.792 20 0 GCADMN C=Cc1ccc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cc1 ZINC001573355946 947647667 /nfs/dbraw/zinc/64/76/67/947647667.db2.gz TTZZIZZKMKAAFJ-HNNXBMFYSA-N 0 1 379.424 0.838 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573618934 947658375 /nfs/dbraw/zinc/65/83/75/947658375.db2.gz UATOAOOYWPRNFH-OLZOCXBDSA-N 0 1 382.432 0.399 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573619185 947660612 /nfs/dbraw/zinc/66/06/12/947660612.db2.gz URQNHZRYGBIFGB-GXTWGEPZSA-N 0 1 379.428 0.893 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573619440 947664767 /nfs/dbraw/zinc/66/47/67/947664767.db2.gz WFZRQVYHGNOODV-STQMWFEESA-N 0 1 382.432 0.187 20 0 GCADMN C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573619550 947667500 /nfs/dbraw/zinc/66/75/00/947667500.db2.gz VROHQNCXSVXEIH-LBPRGKRZSA-N 0 1 382.432 0.542 20 0 GCADMN C[C@H](C(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573627391 947721779 /nfs/dbraw/zinc/72/17/79/947721779.db2.gz AQFHIIMFVWPLBJ-OLZOCXBDSA-N 0 1 382.432 0.542 20 0 GCADMN CC(C(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1)=C1CCC1 ZINC001573627966 947739387 /nfs/dbraw/zinc/73/93/87/947739387.db2.gz DJCGWOWXFBXFOL-IBGZPJMESA-N 0 1 383.456 0.949 20 0 GCADMN CC(C(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1)=C1CCC1 ZINC001573627967 947740104 /nfs/dbraw/zinc/74/01/04/947740104.db2.gz DJCGWOWXFBXFOL-LJQANCHMSA-N 0 1 383.456 0.949 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573630013 947785688 /nfs/dbraw/zinc/78/56/88/947785688.db2.gz PZWDUHWWLFZKFF-VHSXEESVSA-N 0 1 384.366 0.928 20 0 GCADMN CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573374034 947801675 /nfs/dbraw/zinc/80/16/75/947801675.db2.gz HGKDXOIRAXCWRN-ZIAGYGMSSA-N 0 1 386.460 0.925 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573637658 947819463 /nfs/dbraw/zinc/81/94/63/947819463.db2.gz MJKYPMOEQDKYLC-TZMCWYRMSA-N 0 1 381.444 0.624 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001573377130 947848904 /nfs/dbraw/zinc/84/89/04/947848904.db2.gz JFNNPLRXBMWJHU-UONOGXRCSA-N 0 1 384.444 0.843 20 0 GCADMN C[C@@H](C(=O)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[NH+]1CCCCCC1 ZINC001573640152 947850278 /nfs/dbraw/zinc/85/02/78/947850278.db2.gz GEIQXYNZGHPKFO-AWEZNQCLSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@@H](C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)(F)F 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/nfs/dbraw/zinc/22/90/16/948229016.db2.gz VKQMQCBEZMBOAK-GOSISDBHSA-N 0 1 386.460 0.415 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573435529 948230133 /nfs/dbraw/zinc/23/01/33/948230133.db2.gz YCAMAWIIHMXTBA-XIKOKIGWSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccccc1F ZINC001573690870 948231701 /nfs/dbraw/zinc/23/17/01/948231701.db2.gz FXFKCLLNVRUREA-NEPJUHHUSA-N 0 1 385.403 0.515 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573691914 948249651 /nfs/dbraw/zinc/24/96/51/948249651.db2.gz LBBJXYLSNDIKEY-ZYHUDNBSSA-N 0 1 390.473 0.032 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573691914 948249661 /nfs/dbraw/zinc/24/96/61/948249661.db2.gz LBBJXYLSNDIKEY-ZYHUDNBSSA-N 0 1 390.473 0.032 20 0 GCADMN C[C@H](C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)n1cncn1 ZINC001573692650 948270470 /nfs/dbraw/zinc/27/04/70/948270470.db2.gz RNFDDHXEMODASU-LLVKDONJSA-N 0 1 385.407 0.597 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826424818 948272539 /nfs/dbraw/zinc/27/25/39/948272539.db2.gz DYHXKUJGZXUGMW-VIFPVBQESA-N 0 1 396.337 0.537 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826424864 948272599 /nfs/dbraw/zinc/27/25/99/948272599.db2.gz GZOBFHPIOYPOLO-JOYOIKCWSA-N 0 1 376.327 0.071 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826425200 948274642 /nfs/dbraw/zinc/27/46/42/948274642.db2.gz UBXVVZCTZRZZBO-BXKDBHETSA-N 0 1 376.327 0.071 20 0 GCADMN C[C@H](C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)n1cncn1 ZINC001573693305 948280873 /nfs/dbraw/zinc/28/08/73/948280873.db2.gz WGZLXHQIFYLSHH-LLVKDONJSA-N 0 1 385.407 0.597 20 0 GCADMN C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573693571 948282981 /nfs/dbraw/zinc/28/29/81/948282981.db2.gz AEIBMJRIABCJCV-PSLIRLAXSA-N 0 1 382.375 0.005 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573442601 948296647 /nfs/dbraw/zinc/29/66/47/948296647.db2.gz IYBHFRSSZOIYLF-DGCLKSJQSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573442601 948296654 /nfs/dbraw/zinc/29/66/54/948296654.db2.gz IYBHFRSSZOIYLF-DGCLKSJQSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573444136 948313218 /nfs/dbraw/zinc/31/32/18/948313218.db2.gz RRCKFCBPZSSWSQ-AAEUAGOBSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573444136 948313227 /nfs/dbraw/zinc/31/32/27/948313227.db2.gz RRCKFCBPZSSWSQ-AAEUAGOBSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)n1cccn1 ZINC001573696130 948317515 /nfs/dbraw/zinc/31/75/15/948317515.db2.gz LMDPUJBTBNJFOM-GBOPCIDUSA-N 0 1 379.428 0.518 20 0 GCADMN C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573696210 948319359 /nfs/dbraw/zinc/31/93/59/948319359.db2.gz MCCMTTRXJLWPNU-GTNSWQLSSA-N 0 1 384.400 0.111 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573446284 948326585 /nfs/dbraw/zinc/32/65/85/948326585.db2.gz CTVIRKDNAXJIFQ-DZGCQCFKSA-N 0 1 384.444 0.276 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573703126 948352023 /nfs/dbraw/zinc/35/20/23/948352023.db2.gz IESJSYJITOCMHB-YPMHNXCESA-N 0 1 382.432 0.279 20 0 GCADMN O=C1[C@H](N2CCN(CCCCO)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476226 948379778 /nfs/dbraw/zinc/37/97/78/948379778.db2.gz CXHQLIYUPBBRTE-GOSISDBHSA-N 0 1 399.499 0.752 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573704787 948381782 /nfs/dbraw/zinc/38/17/82/948381782.db2.gz DRDZOUZVTKWRNE-QWHCGFSZSA-N 0 1 381.444 0.741 20 0 GCADMN CC(=O)NCC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@H](C)C(=O)[O-] ZINC001602758101 971475541 /nfs/dbraw/zinc/47/55/41/971475541.db2.gz VVFWWTRMTYDUSR-OAHLLOKOSA-N 0 1 391.472 0.032 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573705550 948404501 /nfs/dbraw/zinc/40/45/01/948404501.db2.gz FZSGVMZRNSIKGL-RKDXNWHRSA-N 0 1 386.338 0.177 20 0 GCADMN C[C@@H](C(=O)NCC[C@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[nH]n2)n1 ZINC001573706017 948410968 /nfs/dbraw/zinc/41/09/68/948410968.db2.gz HZEXFPRZCMCXIP-QWHCGFSZSA-N 0 1 390.448 0.501 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573706254 948415661 /nfs/dbraw/zinc/41/56/61/948415661.db2.gz ZRXHQDAUQSYIJM-STQMWFEESA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573706930 948426140 /nfs/dbraw/zinc/42/61/40/948426140.db2.gz LRWVJOICWYZYFP-LRDDRELGSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC(=O)N1 ZINC001573708451 948449775 /nfs/dbraw/zinc/44/97/75/948449775.db2.gz UUWXSOHHETVXER-BLLLJJGKSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573708942 948463498 /nfs/dbraw/zinc/46/34/98/948463498.db2.gz ZCWQCHTXCHKIKC-OLZOCXBDSA-N 0 1 383.416 0.041 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573708943 948464154 /nfs/dbraw/zinc/46/41/54/948464154.db2.gz ZCWQCHTXCHKIKC-QWHCGFSZSA-N 0 1 383.416 0.041 20 0 GCADMN C[C@@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCC(=O)N1 ZINC001573714931 948478692 /nfs/dbraw/zinc/47/86/92/948478692.db2.gz LNYCZVBUCLHEGG-IAQYHMDHSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H](C(=O)NCCOCCN(C)c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCO1 ZINC001573715911 948494868 /nfs/dbraw/zinc/49/48/68/948494868.db2.gz ARXLWDVWEJGIGM-OLZOCXBDSA-N 0 1 390.448 0.041 20 0 GCADMN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001573716548 948501641 /nfs/dbraw/zinc/50/16/41/948501641.db2.gz HJJRRZNTVVURSY-WDEREUQCSA-N 0 1 375.462 0.765 20 0 GCADMN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001573716548 948501647 /nfs/dbraw/zinc/50/16/47/948501647.db2.gz HJJRRZNTVVURSY-WDEREUQCSA-N 0 1 375.462 0.765 20 0 GCADMN C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cncn1 ZINC001573717482 948508283 /nfs/dbraw/zinc/50/82/83/948508283.db2.gz CXGHEWZKQBPYIT-LLVKDONJSA-N 0 1 387.473 0.862 20 0 GCADMN C[C@H](C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccnc1 ZINC001573717513 948510051 /nfs/dbraw/zinc/51/00/51/948510051.db2.gz DSLLZHPZTFWOHS-LBPRGKRZSA-N 0 1 379.428 0.940 20 0 GCADMN C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573730380 948580975 /nfs/dbraw/zinc/58/09/75/948580975.db2.gz PKULLXXPIUGOPX-OBJOEFQTSA-N 0 1 379.428 0.584 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573736228 948612481 /nfs/dbraw/zinc/61/24/81/948612481.db2.gz JLDWULBECFDAEU-MGPQQGTHSA-N 0 1 381.444 0.981 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1cccs1 ZINC001573740073 948627217 /nfs/dbraw/zinc/62/72/17/948627217.db2.gz CZAPXLVCSIRHFM-MXWKQRLJSA-N 0 1 386.441 0.188 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1ccccc1F ZINC001573741075 948648291 /nfs/dbraw/zinc/64/82/91/948648291.db2.gz SCIFZSRGWWDIGG-GDLCADMTSA-N 0 1 398.402 0.265 20 0 GCADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573745217 948670943 /nfs/dbraw/zinc/67/09/43/948670943.db2.gz CKTLWIMCLDLBOA-MGPQQGTHSA-N 0 1 381.444 0.981 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573748463 948696481 /nfs/dbraw/zinc/69/64/81/948696481.db2.gz UJWXIGYPSFIPKZ-DCAQKATOSA-N 0 1 391.436 0.439 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCCC1 ZINC001573751853 948707616 /nfs/dbraw/zinc/70/76/16/948707616.db2.gz FXXWMOWJQPITFN-IHRRRGAJSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCCC1 ZINC001573751853 948707619 /nfs/dbraw/zinc/70/76/19/948707619.db2.gz FXXWMOWJQPITFN-IHRRRGAJSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573752548 948714806 /nfs/dbraw/zinc/71/48/06/948714806.db2.gz NZOQYQRZIPYMKK-GUBZILKMSA-N 0 1 384.487 0.098 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573752548 948714810 /nfs/dbraw/zinc/71/48/10/948714810.db2.gz NZOQYQRZIPYMKK-GUBZILKMSA-N 0 1 384.487 0.098 20 0 GCADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)n1cccn1 ZINC001573753739 948720772 /nfs/dbraw/zinc/72/07/72/948720772.db2.gz XPUPNXJPCHEIIA-PBOSXPJTSA-N 0 1 384.469 0.932 20 0 GCADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)n1cccn1 ZINC001573753739 948720776 /nfs/dbraw/zinc/72/07/76/948720776.db2.gz XPUPNXJPCHEIIA-PBOSXPJTSA-N 0 1 384.469 0.932 20 0 GCADMN CC(C)c1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1 ZINC001574416407 948748592 /nfs/dbraw/zinc/74/85/92/948748592.db2.gz UTAZETINFXOJKQ-CYBMUJFWSA-N 0 1 379.428 0.924 20 0 GCADMN CC(C)c1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1 ZINC001574416408 948749294 /nfs/dbraw/zinc/74/92/94/948749294.db2.gz UTAZETINFXOJKQ-ZDUSSCGKSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@@H](C(N)=O)N1CCC2(C[C@@H](C)N(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573754987 948753208 /nfs/dbraw/zinc/75/32/08/948753208.db2.gz MHQLBAPRZZDQAA-NEPJUHHUSA-N 0 1 386.460 0.385 20 0 GCADMN CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574417050 948761976 /nfs/dbraw/zinc/76/19/76/948761976.db2.gz KFMAKIOCANJUAJ-AWEZNQCLSA-N 0 1 382.428 0.405 20 0 GCADMN C[C@@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574915904 948772716 /nfs/dbraw/zinc/77/27/16/948772716.db2.gz YZWFLRFBQRFAKD-JTQLQIEISA-N 0 1 388.382 0.906 20 0 GCADMN CC(C)[C@H](F)C(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001574079714 948773938 /nfs/dbraw/zinc/77/39/38/948773938.db2.gz FUIQCNGWEAABLG-HNNXBMFYSA-N 0 1 391.455 0.643 20 0 GCADMN C[C@H](CNC(=O)CCc1ccnn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574916829 948795426 /nfs/dbraw/zinc/79/54/26/948795426.db2.gz KPHJSVDFRKZLBH-GFCCVEGCSA-N 0 1 386.435 0.966 20 0 GCADMN CC(C)c1ccoc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001574421412 948818468 /nfs/dbraw/zinc/81/84/68/948818468.db2.gz KDJUFQAASRYWBM-VXGBXAGGSA-N 0 1 384.400 0.353 20 0 GCADMN C[C@@H](C(=O)Nc1ccccc1CS(C)(=O)=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573756878 948825850 /nfs/dbraw/zinc/82/58/50/948825850.db2.gz VEQVKZSTFRBLMQ-VIFPVBQESA-N 0 1 376.402 0.203 20 0 GCADMN CC(C)c1ccsc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574423992 948836655 /nfs/dbraw/zinc/83/66/55/948836655.db2.gz AHYIONMFOCTYFN-SNVBAGLBSA-N 0 1 388.457 0.466 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573761641 948844033 /nfs/dbraw/zinc/84/40/33/948844033.db2.gz KEWGZMAJHTYOIA-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574919028 948868447 /nfs/dbraw/zinc/86/84/47/948868447.db2.gz UPBWMGYVXNGRND-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](CNC(=O)CCCn1cncn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574919170 948869686 /nfs/dbraw/zinc/86/96/86/948869686.db2.gz VOXPNKCQJCMGLY-LBPRGKRZSA-N 0 1 387.423 0.672 20 0 GCADMN CC(C)c1nc(CN2CC[C@@H]2CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001574425277 948871988 /nfs/dbraw/zinc/87/19/88/948871988.db2.gz BXHFUZSLIGRYMV-GFCCVEGCSA-N 0 1 384.448 0.783 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ncn(C)n1 ZINC001574684542 948875203 /nfs/dbraw/zinc/87/52/03/948875203.db2.gz IAVQEYTWLQXPQU-ZCFIWIBFSA-N 0 1 382.841 0.726 20 0 GCADMN CC(C)(C(=O)N1CCC(O)(c2nn[nH]n2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC001573763808 948876451 /nfs/dbraw/zinc/87/64/51/948876451.db2.gz IHDSPUXUFMCQQK-UHFFFAOYSA-N 0 1 383.416 0.168 20 0 GCADMN CC(C)c1nc(CN2CC[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574426531 948886490 /nfs/dbraw/zinc/88/64/90/948886490.db2.gz RZVHBPZEQLKIEK-NSHDSACASA-N 0 1 384.448 0.688 20 0 GCADMN C[C@@H](CNC(=O)CCc1nc[nH]n1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574920105 948887564 /nfs/dbraw/zinc/88/75/64/948887564.db2.gz CILATDWATXBBDL-QMMMGPOBSA-N 0 1 376.812 0.583 20 0 GCADMN C[C@H](CNC(=O)CCc1nc[nH]n1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574920132 948887745 /nfs/dbraw/zinc/88/77/45/948887745.db2.gz DJOOVCIXCCDPBT-SECBINFHSA-N 0 1 390.839 0.830 20 0 GCADMN C[C@H](CC(N)=O)C(=O)N[C@@H](C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574684871 948890842 /nfs/dbraw/zinc/89/08/42/948890842.db2.gz OBGJQOVTUAMCHB-RQJHMYQMSA-N 0 1 386.869 0.795 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cn(C)nn1 ZINC001574684844 948891275 /nfs/dbraw/zinc/89/12/75/948891275.db2.gz NNEUXEDNAJJZEL-LURJTMIESA-N 0 1 382.841 0.726 20 0 GCADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CCc1c[nH]nn1 ZINC001574684929 948896045 /nfs/dbraw/zinc/89/60/45/948896045.db2.gz PFZKMKKTQCYBRW-VIFPVBQESA-N 0 1 390.839 0.973 20 0 GCADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CCc1cnn[nH]1 ZINC001574684929 948896062 /nfs/dbraw/zinc/89/60/62/948896062.db2.gz PFZKMKKTQCYBRW-VIFPVBQESA-N 0 1 390.839 0.973 20 0 GCADMN CC(C)c1nc(CN2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n[nH]1 ZINC001574426933 948896724 /nfs/dbraw/zinc/89/67/24/948896724.db2.gz XCASNQSUTKZQHW-GFCCVEGCSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574920397 948898809 /nfs/dbraw/zinc/89/88/09/948898809.db2.gz KCCFUTWPZSNVHI-SNVBAGLBSA-N 0 1 386.420 0.134 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cn1cncn1 ZINC001574685213 948902830 /nfs/dbraw/zinc/90/28/30/948902830.db2.gz SVDFYHATKVZJJQ-ZETCQYMHSA-N 0 1 382.841 0.575 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCC1 ZINC001573765361 948904493 /nfs/dbraw/zinc/90/44/93/948904493.db2.gz ZSWATZVKRASZNN-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575234761 948906188 /nfs/dbraw/zinc/90/61/88/948906188.db2.gz DSBXETUHSABTOJ-NSHDSACASA-N 0 1 381.387 0.758 20 0 GCADMN CC(C)(C(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1)[NH+]1CCCC1 ZINC001573765579 948917966 /nfs/dbraw/zinc/91/79/66/948917966.db2.gz OZEAORPUEMPCLW-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)(C(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCC1 ZINC001573765579 948917972 /nfs/dbraw/zinc/91/79/72/948917972.db2.gz OZEAORPUEMPCLW-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001573765754 948924334 /nfs/dbraw/zinc/92/43/34/948924334.db2.gz DGGROCZTRRSNOE-STQMWFEESA-N 0 1 383.460 0.321 20 0 GCADMN CC(F)(F)CC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001575235610 948925395 /nfs/dbraw/zinc/92/53/95/948925395.db2.gz WNUFHNKIHPRAJZ-KBPBESRZSA-N 0 1 380.399 0.963 20 0 GCADMN CC(C)c1ncncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001574431829 948926100 /nfs/dbraw/zinc/92/61/00/948926100.db2.gz CKPVIFNTCNDWMC-RYUDHWBXSA-N 0 1 392.427 0.673 20 0 GCADMN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574923383 948944574 /nfs/dbraw/zinc/94/45/74/948944574.db2.gz LAJVSYPWGGECRE-JTQLQIEISA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574923383 948944586 /nfs/dbraw/zinc/94/45/86/948944586.db2.gz LAJVSYPWGGECRE-JTQLQIEISA-N 0 1 377.474 0.391 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433169 948950739 /nfs/dbraw/zinc/95/07/39/948950739.db2.gz JWGGSMIHZWSNFW-PHIMTYICSA-N 0 1 382.432 0.308 20 0 GCADMN C[C@@H](CNC(=O)CCn1ccnn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574923592 948957190 /nfs/dbraw/zinc/95/71/90/948957190.db2.gz PUNPAMPTAUYXNV-ZETCQYMHSA-N 0 1 382.841 0.575 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574433412 948957544 /nfs/dbraw/zinc/95/75/44/948957544.db2.gz MHXJWEIXYVFCIB-LLVKDONJSA-N 0 1 384.448 0.768 20 0 GCADMN CC(F)(F)CCC(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001575239440 948962425 /nfs/dbraw/zinc/96/24/25/948962425.db2.gz SHISXKNLRNWDAZ-RTCCRHLQSA-N 0 1 378.387 0.891 20 0 GCADMN CC(F)(F)CCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001575239851 948965453 /nfs/dbraw/zinc/96/54/53/948965453.db2.gz WJKCPOJFSYIABA-ZIAGYGMSSA-N 0 1 380.399 0.963 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573772885 948970150 /nfs/dbraw/zinc/97/01/50/948970150.db2.gz XVGCQSBJGDHLBG-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573772885 948970160 /nfs/dbraw/zinc/97/01/60/948970160.db2.gz XVGCQSBJGDHLBG-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@](CNC(=O)CN1CCCC1)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001574925704 948975562 /nfs/dbraw/zinc/97/55/62/948975562.db2.gz CBCASHBTGCFWDY-GOSISDBHSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575501375 949007038 /nfs/dbraw/zinc/00/70/38/949007038.db2.gz HIJWLWCCKCFPJM-NWDGAFQWSA-N 0 1 383.416 0.460 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575501373 949007224 /nfs/dbraw/zinc/00/72/24/949007224.db2.gz HIJWLWCCKCFPJM-NEPJUHHUSA-N 0 1 383.416 0.460 20 0 GCADMN CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001574439532 949009561 /nfs/dbraw/zinc/00/95/61/949009561.db2.gz GREYTIBQJCWMEU-NSHDSACASA-N 0 1 385.432 0.739 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CCC1)[NH+]1CCCC1 ZINC001573774620 949017168 /nfs/dbraw/zinc/01/71/68/949017168.db2.gz PKGKGAQRERVUPC-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN CC(C)c1nnsc1C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574440852 949039056 /nfs/dbraw/zinc/03/90/56/949039056.db2.gz WOOOBHFYPNXEAM-RKDXNWHRSA-N 0 1 388.461 0.672 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575247000 949040283 /nfs/dbraw/zinc/04/02/83/949040283.db2.gz HRRYELSQWPRMCJ-QWRGUYRKSA-N 0 1 389.464 0.148 20 0 GCADMN CC(C)c1noc(CCC(=O)N[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574440918 949043176 /nfs/dbraw/zinc/04/31/76/949043176.db2.gz YQYRHVGERLCYIK-JTQLQIEISA-N 0 1 386.420 0.134 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574927768 949043550 /nfs/dbraw/zinc/04/35/50/949043550.db2.gz KTDNSVJPYBZRSY-LBPRGKRZSA-N 0 1 386.460 0.297 20 0 GCADMN CC(C)(C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001573775503 949044773 /nfs/dbraw/zinc/04/47/73/949044773.db2.gz XXLGMLNSXFOIJZ-CQSZACIVSA-N 0 1 381.440 0.550 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C1CCCCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574927766 949046538 /nfs/dbraw/zinc/04/65/38/949046538.db2.gz KTDNSVJPYBZRSY-GFCCVEGCSA-N 0 1 386.460 0.297 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574927932 949049008 /nfs/dbraw/zinc/04/90/08/949049008.db2.gz MNSKVYBMDHGXDE-NSHDSACASA-N 0 1 389.464 0.150 20 0 GCADMN C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574927824 949049044 /nfs/dbraw/zinc/04/90/44/949049044.db2.gz LPYRBIRVHMNECE-CYBMUJFWSA-N 0 1 378.440 0.663 20 0 GCADMN CC(C)(C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[C@@H]1CCCCO1 ZINC001573775664 949049870 /nfs/dbraw/zinc/04/98/70/949049870.db2.gz ZRZZCMKRGGHDEK-DOMZBBRYSA-N 0 1 389.460 0.168 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573779312 949056763 /nfs/dbraw/zinc/05/67/63/949056763.db2.gz HERXQVCUUYKLRK-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)[C@H]1C[C@@H](CC(=O)N(C)CCNc2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574092319 949059355 /nfs/dbraw/zinc/05/93/55/949059355.db2.gz NUBPZQJPHOCWFG-UONOGXRCSA-N 0 1 388.476 0.790 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCC1 ZINC001573779463 949062914 /nfs/dbraw/zinc/06/29/14/949062914.db2.gz IVMBAWHWNRDYFH-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573779463 949062922 /nfs/dbraw/zinc/06/29/22/949062922.db2.gz IVMBAWHWNRDYFH-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575248186 949063607 /nfs/dbraw/zinc/06/36/07/949063607.db2.gz PGKNNFROUPJUBT-CYBMUJFWSA-N 0 1 387.488 0.966 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575248422 949069248 /nfs/dbraw/zinc/06/92/48/949069248.db2.gz RQBSXDJOGSHYEW-NWDGAFQWSA-N 0 1 388.476 0.493 20 0 GCADMN C[C@H](CNC(=O)CN1CCOCC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574929043 949071155 /nfs/dbraw/zinc/07/11/55/949071155.db2.gz WOFBBDFWFCVLCJ-GFCCVEGCSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574694347 949073476 /nfs/dbraw/zinc/07/34/76/949073476.db2.gz NUTGBXLMIGEQOL-ZDUSSCGKSA-N 0 1 387.492 0.602 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001573780367 949087786 /nfs/dbraw/zinc/08/77/86/949087786.db2.gz XGDTYZFKUBXBDE-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)c1nocc1C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574442143 949089170 /nfs/dbraw/zinc/08/91/70/949089170.db2.gz KSHSZAUGBXDZGI-LBPRGKRZSA-N 0 1 383.416 0.811 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575249279 949095933 /nfs/dbraw/zinc/09/59/33/949095933.db2.gz YSVUBKBQMRFVED-VXGBXAGGSA-N 0 1 388.476 0.753 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573781451 949104855 /nfs/dbraw/zinc/10/48/55/949104855.db2.gz HERXQVCUUYKLRK-BETUJISGSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574930237 949106837 /nfs/dbraw/zinc/10/68/37/949106837.db2.gz KEFSLJTZIDBDDK-OCCSQVGLSA-N 0 1 392.435 0.748 20 0 GCADMN CC(C)c1nocc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574443433 949108163 /nfs/dbraw/zinc/10/81/63/949108163.db2.gz YEZQHLBJRHTLPO-NSHDSACASA-N 0 1 383.416 0.907 20 0 GCADMN C[C@@H](NC(=O)[C@H](C)n1cncn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575250320 949110757 /nfs/dbraw/zinc/11/07/57/949110757.db2.gz DRHDUISALRWWMC-MNOVXSKESA-N 0 1 387.473 0.717 20 0 GCADMN C[C@H](CNC(=O)COC[C@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574931168 949113078 /nfs/dbraw/zinc/11/30/78/949113078.db2.gz OCDXLZXQBNKLEA-IUODEOHRSA-N 0 1 392.435 0.796 20 0 GCADMN CC(C)c1ocnc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574445813 949115361 /nfs/dbraw/zinc/11/53/61/949115361.db2.gz DRIDUIKAPPHMSC-LLVKDONJSA-N 0 1 383.416 0.764 20 0 GCADMN CC(C)c1ocnc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574445814 949117449 /nfs/dbraw/zinc/11/74/49/949117449.db2.gz DRIDUIKAPPHMSC-NSHDSACASA-N 0 1 383.416 0.764 20 0 GCADMN C[C@H](NC(=O)[C@H](C)n1cncn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575251020 949124712 /nfs/dbraw/zinc/12/47/12/949124712.db2.gz KBYNCUCAHHHQIS-STQMWFEESA-N 0 1 381.444 0.656 20 0 GCADMN C[C@@H](NC(=O)[C@H](C)n1cncn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575251018 949126368 /nfs/dbraw/zinc/12/63/68/949126368.db2.gz KBYNCUCAHHHQIS-OLZOCXBDSA-N 0 1 381.444 0.656 20 0 GCADMN C[C@@H](CNC(=O)CO[C@H]1CCOC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574932064 949128739 /nfs/dbraw/zinc/12/87/39/949128739.db2.gz UNZHKGQIWLJIKK-FZMZJTMJSA-N 0 1 378.408 0.406 20 0 GCADMN C[C@@H](CNC(=O)CO[C@H]1CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574932177 949130103 /nfs/dbraw/zinc/13/01/03/949130103.db2.gz VMCLJCSEIYWAGA-YUMQZZPRSA-N 0 1 387.853 0.699 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C(C)(C)c1cccnc1 ZINC001575251405 949137056 /nfs/dbraw/zinc/13/70/56/949137056.db2.gz MVMJDYAOTDWKTQ-NEPJUHHUSA-N 0 1 381.444 0.757 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602793191 971554215 /nfs/dbraw/zinc/55/42/15/971554215.db2.gz TVANWCKYRWYAMT-PJHJGJPPSA-N 0 1 376.409 0.364 20 0 GCADMN CC(C)c1ocnc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447140 949153372 /nfs/dbraw/zinc/15/33/72/949153372.db2.gz HSDNYYQNEDJSFN-XYPYZODXSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)c1ocnc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447320 949157109 /nfs/dbraw/zinc/15/71/09/949157109.db2.gz KZZXQLINYVSABO-LLVKDONJSA-N 0 1 383.416 0.907 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575252113 949157313 /nfs/dbraw/zinc/15/73/13/949157313.db2.gz DWUUBOZYRSEFPN-CHWSQXEVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252113 949157301 /nfs/dbraw/zinc/15/73/01/949157301.db2.gz DWUUBOZYRSEFPN-CHWSQXEVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCCCC1 ZINC001574697585 949160582 /nfs/dbraw/zinc/16/05/82/949160582.db2.gz BCTHUYANEVWYKR-UONOGXRCSA-N 0 1 387.492 0.602 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574698011 949171296 /nfs/dbraw/zinc/17/12/96/949171296.db2.gz FDKHKFVRLRYJER-QWRGUYRKSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574934637 949172593 /nfs/dbraw/zinc/17/25/93/949172593.db2.gz MUOFVGPMWJNTOP-SNVBAGLBSA-N 0 1 389.366 0.957 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573787366 949180844 /nfs/dbraw/zinc/18/08/44/949180844.db2.gz VJVQROCJWCHIJQ-JOCQHMNTSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253411 949186674 /nfs/dbraw/zinc/18/66/74/949186674.db2.gz TVPVMCNYKDONPB-NWDGAFQWSA-N 0 1 388.476 0.837 20 0 GCADMN CC(C)(C(N)=O)C(=O)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001573787778 949186918 /nfs/dbraw/zinc/18/69/18/949186918.db2.gz ALVJPXVRQFCRSE-NEPJUHHUSA-N 0 1 384.444 0.058 20 0 GCADMN C[C@H](NC(=O)C(C)(C)C1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253412 949186887 /nfs/dbraw/zinc/18/68/87/949186887.db2.gz TVPVMCNYKDONPB-RYUDHWBXSA-N 0 1 388.476 0.837 20 0 GCADMN CC(C)c1oncc1C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574448407 949188669 /nfs/dbraw/zinc/18/86/69/949188669.db2.gz LDHAKJXCDXQTRN-UHFFFAOYSA-N 0 1 383.416 0.811 20 0 GCADMN C[C@H](CNC(=O)COc1ccccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935102 949196746 /nfs/dbraw/zinc/19/67/46/949196746.db2.gz ZEQKLPJFKQHZPY-LLVKDONJSA-N 0 1 386.391 0.816 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698885 949211499 /nfs/dbraw/zinc/21/14/99/949211499.db2.gz PVJYQFHGDIAEFR-NEPJUHHUSA-N 0 1 383.416 0.200 20 0 GCADMN CC(C)(C(N)=O)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573788802 949214312 /nfs/dbraw/zinc/21/43/12/949214312.db2.gz YGDLZJARULTKLW-WDEREUQCSA-N 0 1 391.501 0.814 20 0 GCADMN CC(C)(C(N)=O)C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573788802 949214328 /nfs/dbraw/zinc/21/43/28/949214328.db2.gz YGDLZJARULTKLW-WDEREUQCSA-N 0 1 391.501 0.814 20 0 GCADMN C[C@@H](NC(=O)[C@@]1(F)CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575255567 949237234 /nfs/dbraw/zinc/23/72/34/949237234.db2.gz RAWWMQSPGFKZRN-QLJPJBMISA-N 0 1 380.449 0.993 20 0 GCADMN C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001576151920 949238997 /nfs/dbraw/zinc/23/89/97/949238997.db2.gz GRJCJCUGRHZMKB-YIYPIFLZSA-N 0 1 386.460 0.733 20 0 GCADMN CC(C)n1cc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574451955 949250812 /nfs/dbraw/zinc/25/08/12/949250812.db2.gz BUDQOOQVTFGNCF-UHFFFAOYSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)n1cc(C(=O)N(C)C[C@H](O)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001574452215 949253464 /nfs/dbraw/zinc/25/34/64/949253464.db2.gz GSKZIIABDHJVQM-CYBMUJFWSA-N 0 1 385.432 0.006 20 0 GCADMN CC(C)n1cc(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)cn1 ZINC001574452496 949261579 /nfs/dbraw/zinc/26/15/79/949261579.db2.gz LFLQHELAIAFFMQ-CYBMUJFWSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575257297 949272091 /nfs/dbraw/zinc/27/20/91/949272091.db2.gz ZNKXJOZOAKTITM-QWHCGFSZSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575257297 949272115 /nfs/dbraw/zinc/27/21/15/949272115.db2.gz ZNKXJOZOAKTITM-QWHCGFSZSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574702650 949291292 /nfs/dbraw/zinc/29/12/92/949291292.db2.gz JZHIKYLIHQZHEF-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574702650 949291303 /nfs/dbraw/zinc/29/13/03/949291303.db2.gz JZHIKYLIHQZHEF-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](NC(=O)C1=COCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575258507 949304715 /nfs/dbraw/zinc/30/47/15/949304715.db2.gz INSNDAAVBQCDIR-NSHDSACASA-N 0 1 388.403 0.831 20 0 GCADMN C[C@@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575258748 949313096 /nfs/dbraw/zinc/31/30/96/949313096.db2.gz JWRAORAUUMHJNX-GFCCVEGCSA-N 0 1 386.460 0.509 20 0 GCADMN CC(C)n1cc(CNC2CC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001574455817 949314958 /nfs/dbraw/zinc/31/49/58/949314958.db2.gz ZSUCVGWPXQMJNT-UHFFFAOYSA-N 0 1 384.448 0.760 20 0 GCADMN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574703339 949324894 /nfs/dbraw/zinc/32/48/94/949324894.db2.gz UOHXMOZRBHKENU-PIGZYNQJSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574703339 949324919 /nfs/dbraw/zinc/32/49/19/949324919.db2.gz UOHXMOZRBHKENU-PIGZYNQJSA-N 0 1 391.501 0.781 20 0 GCADMN CC1=C(C(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)S(=O)(=O)CCO1 ZINC001575862205 949348661 /nfs/dbraw/zinc/34/86/61/949348661.db2.gz ZLPKXXFLVFWJBV-UHFFFAOYSA-N 0 1 375.370 0.358 20 0 GCADMN CC1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CCCCCC1 ZINC001575525907 949359877 /nfs/dbraw/zinc/35/98/77/949359877.db2.gz SRKXTCGONBDXDY-UHFFFAOYSA-N 0 1 388.476 0.672 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1 ZINC001574459517 949363082 /nfs/dbraw/zinc/36/30/82/949363082.db2.gz ISYOFSNUXLBDAK-NEPJUHHUSA-N 0 1 382.432 0.831 20 0 GCADMN CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574459867 949368570 /nfs/dbraw/zinc/36/85/70/949368570.db2.gz NCKKDZJCEYTMGW-AWEZNQCLSA-N 0 1 381.444 0.717 20 0 GCADMN CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574460652 949379694 /nfs/dbraw/zinc/37/96/94/949379694.db2.gz VVVIOPQYEQXYOZ-LBPRGKRZSA-N 0 1 385.432 0.006 20 0 GCADMN CC(C)(C)C(=O)NC1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573800258 949387226 /nfs/dbraw/zinc/38/72/26/949387226.db2.gz VQGPJADHQUUZDC-UHFFFAOYSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H](NC(=O)[C@H]1CCCCN1C)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575263106 949387929 /nfs/dbraw/zinc/38/79/29/949387929.db2.gz DQHGJQFLXJYSCA-IAQYHMDHSA-N 0 1 386.460 0.256 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574463910 949394899 /nfs/dbraw/zinc/39/48/99/949394899.db2.gz AXLJWACEXQRKJK-LBPRGKRZSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1cnc(C(=O)N(C)C[C@H](O)CNc2ccncc2-c2nn[nH]n2)c1 ZINC001574464144 949398939 /nfs/dbraw/zinc/39/89/39/949398939.db2.gz GYAYTSFRJHLOIF-GFCCVEGCSA-N 0 1 385.432 0.006 20 0 GCADMN C[C@@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574944881 949402115 /nfs/dbraw/zinc/40/21/15/949402115.db2.gz HVAVNARGZSZBAJ-JTQLQIEISA-N 0 1 382.432 0.418 20 0 GCADMN C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263714 949402777 /nfs/dbraw/zinc/40/27/77/949402777.db2.gz IYDBQVGXDLKZQN-XPTSAGLGSA-N 0 1 389.391 0.051 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575263575 949403278 /nfs/dbraw/zinc/40/32/78/949403278.db2.gz ICSZTOSRXOYENN-QWHCGFSZSA-N 0 1 387.492 0.504 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573801769 949404157 /nfs/dbraw/zinc/40/41/57/949404157.db2.gz CBLUGKILGDFDQK-CQSZACIVSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCOC1 ZINC001575533161 949410568 /nfs/dbraw/zinc/41/05/68/949410568.db2.gz DRCYDXGMQZLFOY-FHSNZYRGSA-N 0 1 384.444 0.653 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573802189 949411245 /nfs/dbraw/zinc/41/12/45/949411245.db2.gz GMRWVCOROUVXEP-WOPDTQHZSA-N 0 1 399.459 0.045 20 0 GCADMN C[C@H](CNC(=O)Cc1cnn(C)c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574945733 949416995 /nfs/dbraw/zinc/41/69/95/949416995.db2.gz NBLHCZAMWQJCLV-SSDOTTSWSA-N 0 1 381.853 0.869 20 0 GCADMN C[C@H]1C(=O)Nc2ccccc2CN1S(=O)(=O)c1cccnc1-c1nn[nH]n1 ZINC001575867133 949431021 /nfs/dbraw/zinc/43/10/21/949431021.db2.gz YCAYPTYJLHQZIS-JTQLQIEISA-N 0 1 385.409 0.793 20 0 GCADMN C[C@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575264795 949435300 /nfs/dbraw/zinc/43/53/00/949435300.db2.gz QODRBXJDFNOUAC-GXTWGEPZSA-N 0 1 386.460 0.804 20 0 GCADMN CC1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575534902 949436331 /nfs/dbraw/zinc/43/63/31/949436331.db2.gz RVNBHGMGGUSFLH-ZDUSSCGKSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265244 949441403 /nfs/dbraw/zinc/44/14/03/949441403.db2.gz SMYSXDSVWKEHQZ-IUODEOHRSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574706077 949445880 /nfs/dbraw/zinc/44/58/80/949445880.db2.gz XAJNZJJKWKWMNX-QQDQCYIDSA-N 0 1 390.451 0.923 20 0 GCADMN CC(C)n1nccc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574467967 949448420 /nfs/dbraw/zinc/44/84/20/949448420.db2.gz BGBRKVWCKXALLR-GFCCVEGCSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](CNC(=O)Cn1ccccc1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574947861 949452714 /nfs/dbraw/zinc/45/27/14/949452714.db2.gz FGMIVUWZCLKJLT-LBPRGKRZSA-N 0 1 385.403 0.462 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574468018 949454645 /nfs/dbraw/zinc/45/46/45/949454645.db2.gz DPIQACVMEWAGTR-HAQNSBGRSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@H](CNC(=O)Cn1ccccc1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574947860 949455092 /nfs/dbraw/zinc/45/50/92/949455092.db2.gz FGMIVUWZCLKJLT-GFCCVEGCSA-N 0 1 385.403 0.462 20 0 GCADMN C[C@@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575266189 949473467 /nfs/dbraw/zinc/47/34/67/949473467.db2.gz XWEXMFUZSDCNMB-GHMZBOCLSA-N 0 1 389.485 0.391 20 0 GCADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccon1 ZINC001576157434 949484056 /nfs/dbraw/zinc/48/40/56/949484056.db2.gz QIWTWUNKZYDAGM-DIFFPNOSSA-N 0 1 383.416 0.857 20 0 GCADMN C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574949209 949485371 /nfs/dbraw/zinc/48/53/71/949485371.db2.gz RTZIWZKOTADIIZ-SECBINFHSA-N 0 1 377.359 0.435 20 0 GCADMN CC(C)n1nccc1C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574470009 949485973 /nfs/dbraw/zinc/48/59/73/949485973.db2.gz KGLAGRCYEWEAMU-UHFFFAOYSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574708854 949504308 /nfs/dbraw/zinc/50/43/08/949504308.db2.gz XWGKHXBAKROFQS-FZMZJTMJSA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574949762 949509004 /nfs/dbraw/zinc/50/90/04/949509004.db2.gz CPQAFXQBGZJYJQ-DOMZBBRYSA-N 0 1 386.460 0.247 20 0 GCADMN C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC(N)=O ZINC001576158992 949510517 /nfs/dbraw/zinc/51/05/17/949510517.db2.gz VORZZUSKCDMUME-DIFFPNOSSA-N 0 1 391.501 0.958 20 0 GCADMN C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC(N)=O ZINC001576158992 949510534 /nfs/dbraw/zinc/51/05/34/949510534.db2.gz VORZZUSKCDMUME-DIFFPNOSSA-N 0 1 391.501 0.958 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574121449 949516673 /nfs/dbraw/zinc/51/66/73/949516673.db2.gz QZXQWZMAYCOJMC-CYBMUJFWSA-N 0 1 388.476 0.755 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CCOC1 ZINC001575538213 949518812 /nfs/dbraw/zinc/51/88/12/949518812.db2.gz FBSBWAZKDHNUED-QZTJIDSGSA-N 0 1 384.444 0.512 20 0 GCADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[NH+](C)C ZINC001576159462 949522221 /nfs/dbraw/zinc/52/22/21/949522221.db2.gz XJTWROLGKNERAU-FZKQIMNGSA-N 0 1 387.492 0.507 20 0 GCADMN CC(C)CC(=O)NCCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574122060 949523070 /nfs/dbraw/zinc/52/30/70/949523070.db2.gz UMUCERNXWBQOPJ-UHFFFAOYSA-N 0 1 386.460 0.297 20 0 GCADMN CC1(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575538830 949530884 /nfs/dbraw/zinc/53/08/84/949530884.db2.gz JQDZKUBIWUJCNZ-JTQLQIEISA-N 0 1 378.387 0.917 20 0 GCADMN CC1(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575538831 949533268 /nfs/dbraw/zinc/53/32/68/949533268.db2.gz JQDZKUBIWUJCNZ-SNVBAGLBSA-N 0 1 378.387 0.917 20 0 GCADMN C[C@H](CC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574472153 949542142 /nfs/dbraw/zinc/54/21/42/949542142.db2.gz QRFPILBUWNNILR-CHWSQXEVSA-N 0 1 383.460 0.870 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711547 949542183 /nfs/dbraw/zinc/54/21/83/949542183.db2.gz IZASIDFGJDJVBO-SJCJKPOMSA-N 0 1 379.424 0.946 20 0 GCADMN C[C@@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576163957 949543404 /nfs/dbraw/zinc/54/34/04/949543404.db2.gz DOWLXXOPPPKLBM-OLZOCXBDSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872314 949544369 /nfs/dbraw/zinc/54/43/69/949544369.db2.gz HOYNHOFCGAIVCU-NWDGAFQWSA-N 0 1 388.432 0.283 20 0 GCADMN C[C@@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711567 949544892 /nfs/dbraw/zinc/54/48/92/949544892.db2.gz JGGQKNZRIWRRGE-LBPRGKRZSA-N 0 1 378.440 0.752 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575539397 949548612 /nfs/dbraw/zinc/54/86/12/949548612.db2.gz PQPNFTVTEXGUPA-KPZWWZAWSA-N 0 1 384.444 0.003 20 0 GCADMN CC(C)(C)[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)CN1CCCC1 ZINC001573809523 949548945 /nfs/dbraw/zinc/54/89/45/949548945.db2.gz RHKRAGALTOASRU-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269652 949555568 /nfs/dbraw/zinc/55/55/68/949555568.db2.gz WDIONRKEUDJTEF-LRDDRELGSA-N 0 1 383.456 0.472 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711822 949555586 /nfs/dbraw/zinc/55/55/86/949555586.db2.gz MRDDCTZAVZVXSO-VXGBXAGGSA-N 0 1 381.444 0.471 20 0 GCADMN CC1(C(=O)N2CCC[C@@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575539738 949559383 /nfs/dbraw/zinc/55/93/83/949559383.db2.gz SIXWDWBBLWCPMT-GOSISDBHSA-N 0 1 386.460 0.424 20 0 GCADMN C[C@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872940 949560691 /nfs/dbraw/zinc/56/06/91/949560691.db2.gz MHNMDMLWCDVZFZ-GXTWGEPZSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711842 949561994 /nfs/dbraw/zinc/56/19/94/949561994.db2.gz NCGRSPQQVNODBB-DGCLKSJQSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164939 949565247 /nfs/dbraw/zinc/56/52/47/949565247.db2.gz INYUKIJRJGFHCK-GXTWGEPZSA-N 0 1 384.444 0.464 20 0 GCADMN C[C@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575269895 949566558 /nfs/dbraw/zinc/56/65/58/949566558.db2.gz XGSQDPIGSWXQQQ-QWHCGFSZSA-N 0 1 386.460 0.683 20 0 GCADMN C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001574473250 949568722 /nfs/dbraw/zinc/56/87/22/949568722.db2.gz ZFGWLOZOYPRUTR-OLZOCXBDSA-N 0 1 381.444 0.926 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574956757 949586647 /nfs/dbraw/zinc/58/66/47/949586647.db2.gz NAXARNNDYVIQEW-YGRLFVJLSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574956756 949588586 /nfs/dbraw/zinc/58/85/86/949588586.db2.gz NAXARNNDYVIQEW-HZMBPMFUSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@@]1(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCOC1 ZINC001575545259 949595444 /nfs/dbraw/zinc/59/54/44/949595444.db2.gz JQKCSRWXPYOBGL-SCLBCKFNSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873977 949597137 /nfs/dbraw/zinc/59/71/37/949597137.db2.gz DCXYWMQIMFJOSU-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873977 949597152 /nfs/dbraw/zinc/59/71/52/949597152.db2.gz DCXYWMQIMFJOSU-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001574476407 949599674 /nfs/dbraw/zinc/59/96/74/949599674.db2.gz HBNAFLIOWBBHCL-KBPBESRZSA-N 0 1 384.444 0.368 20 0 GCADMN C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575270732 949602671 /nfs/dbraw/zinc/60/26/71/949602671.db2.gz FTAGEUCTMUBRAQ-NWDGAFQWSA-N 0 1 387.448 0.033 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574713895 949614249 /nfs/dbraw/zinc/61/42/49/949614249.db2.gz ZAUBEFARSJLZQB-NOZJJQNGSA-N 0 1 377.380 0.051 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574957419 949614909 /nfs/dbraw/zinc/61/49/09/949614909.db2.gz XOQMKXKGSCWQJJ-HZMBPMFUSA-N 0 1 390.423 0.143 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574714114 949623962 /nfs/dbraw/zinc/62/39/62/949623962.db2.gz CEDKQOSWAOBTLJ-ZJUUUORDSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574714114 949623972 /nfs/dbraw/zinc/62/39/72/949623972.db2.gz CEDKQOSWAOBTLJ-ZJUUUORDSA-N 0 1 380.478 0.312 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cnnn1 ZINC001573812885 949624989 /nfs/dbraw/zinc/62/49/89/949624989.db2.gz VVHOQXPAQCEXSN-GFCCVEGCSA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cnnn1 ZINC001573812885 949625002 /nfs/dbraw/zinc/62/50/02/949625002.db2.gz VVHOQXPAQCEXSN-GFCCVEGCSA-N 0 1 390.477 0.235 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576168036 949626313 /nfs/dbraw/zinc/62/63/13/949626313.db2.gz BGXWJYAGMQMUQD-FZMZJTMJSA-N 0 1 382.432 0.662 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575875198 949627374 /nfs/dbraw/zinc/62/73/74/949627374.db2.gz VLHZKOYHOBTJDW-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H](Nc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H](C)NC(=O)CCNC(N)=O ZINC001575272084 949632753 /nfs/dbraw/zinc/63/27/53/949632753.db2.gz NHRZUHJZEJATIA-NTSWFWBYSA-N 0 1 387.857 0.340 20 0 GCADMN C[C@H]1[C@H](NC(=O)CN2CCCC2)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575876056 949637755 /nfs/dbraw/zinc/63/77/55/949637755.db2.gz IVPMKRVWBAPCEY-GXTWGEPZSA-N 0 1 386.460 0.400 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)COCC(F)F ZINC001573814245 949639624 /nfs/dbraw/zinc/63/96/24/949639624.db2.gz CGKZEHASCPPBRS-SECBINFHSA-N 0 1 384.391 0.303 20 0 GCADMN C[C@@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715107 949640383 /nfs/dbraw/zinc/64/03/83/949640383.db2.gz BAKPPAAFRLTBJG-STQMWFEESA-N 0 1 388.476 0.933 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CCc1c[nH]nn1 ZINC001573815517 949650967 /nfs/dbraw/zinc/65/09/67/949650967.db2.gz IETRETOYTQVHPA-GFCCVEGCSA-N 0 1 385.436 0.350 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575876795 949652636 /nfs/dbraw/zinc/65/26/36/949652636.db2.gz KMIXNNNLTSXVIA-GWCFXTLKSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715608 949655281 /nfs/dbraw/zinc/65/52/81/949655281.db2.gz JKERSAIRZWCHJY-QWHCGFSZSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCC(C)(C)CO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715606 949657839 /nfs/dbraw/zinc/65/78/39/949657839.db2.gz JKERSAIRZWCHJY-CHWSQXEVSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2nc[nH]n2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575877108 949658248 /nfs/dbraw/zinc/65/82/48/949658248.db2.gz KURXSTVEQKDEIU-YPMHNXCESA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576169047 949661881 /nfs/dbraw/zinc/66/18/81/949661881.db2.gz XCLKPYIIWTXVEK-RYUDHWBXSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1nccn1C ZINC001576169093 949661983 /nfs/dbraw/zinc/66/19/83/949661983.db2.gz FDQSZLRVVIDQPE-IUODEOHRSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1nccn1C ZINC001576169094 949662264 /nfs/dbraw/zinc/66/22/64/949662264.db2.gz FDQSZLRVVIDQPE-SWLSCSKDSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@H](CNC(=O)C(=O)N1CCC[C@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576169045 949663197 /nfs/dbraw/zinc/66/31/97/949663197.db2.gz XCLKPYIIWTXVEK-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CCc1cnc[nH]1 ZINC001573815933 949666318 /nfs/dbraw/zinc/66/63/18/949666318.db2.gz LZXYIIPTFUGRAC-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573816128 949669229 /nfs/dbraw/zinc/66/92/29/949669229.db2.gz OOMMJQPIEOMCRK-CHWSQXEVSA-N 0 1 388.476 0.838 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001573816132 949669460 /nfs/dbraw/zinc/66/94/60/949669460.db2.gz OOXHPQXHKHWADW-GFCCVEGCSA-N 0 1 384.448 0.377 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001573816129 949670429 /nfs/dbraw/zinc/67/04/29/949670429.db2.gz OOMMJQPIEOMCRK-OLZOCXBDSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CN2CCCC2)CCCN1c1ncc(-c2nn[nH]n2)cc1F ZINC001575878267 949675187 /nfs/dbraw/zinc/67/51/87/949675187.db2.gz OEXGJPYXKIZPCU-WFASDCNBSA-N 0 1 388.451 0.970 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576169602 949683188 /nfs/dbraw/zinc/68/31/88/949683188.db2.gz HIGHBECSOUADJY-KGLIPLIRSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001573816729 949683005 /nfs/dbraw/zinc/68/30/05/949683005.db2.gz UYFMFEQZKQBLQU-SGTLLEGYSA-N 0 1 388.476 0.573 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169602 949683204 /nfs/dbraw/zinc/68/32/04/949683204.db2.gz HIGHBECSOUADJY-KGLIPLIRSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169602 949683222 /nfs/dbraw/zinc/68/32/22/949683222.db2.gz HIGHBECSOUADJY-KGLIPLIRSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)COC1CCCC1 ZINC001573816670 949685010 /nfs/dbraw/zinc/68/50/10/949685010.db2.gz UKNLMKNWBMMFKJ-CYBMUJFWSA-N 0 1 388.476 0.981 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576169600 949685588 /nfs/dbraw/zinc/68/55/88/949685588.db2.gz HIGHBECSOUADJY-KBPBESRZSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169600 949685607 /nfs/dbraw/zinc/68/56/07/949685607.db2.gz HIGHBECSOUADJY-KBPBESRZSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169600 949685624 /nfs/dbraw/zinc/68/56/24/949685624.db2.gz HIGHBECSOUADJY-KBPBESRZSA-N 0 1 387.492 0.458 20 0 GCADMN C[C@@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880582 949705166 /nfs/dbraw/zinc/70/51/66/949705166.db2.gz UPFBCHZWORQXDF-NXEZZACHSA-N 0 1 382.375 0.412 20 0 GCADMN C[C@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880627 949705461 /nfs/dbraw/zinc/70/54/61/949705461.db2.gz VAAUMNYAACKHHJ-JSGCOSHPSA-N 0 1 379.428 0.768 20 0 GCADMN C[C@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170233 949708802 /nfs/dbraw/zinc/70/88/02/949708802.db2.gz LBYQWHVBQPOFAN-UONOGXRCSA-N 0 1 388.476 0.528 20 0 GCADMN C[C@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575276131 949708917 /nfs/dbraw/zinc/70/89/17/949708917.db2.gz GTXFSMAJBHRQPV-STQMWFEESA-N 0 1 382.428 0.853 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575880909 949710159 /nfs/dbraw/zinc/71/01/59/949710159.db2.gz VSISYDGIOXGWGR-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575880909 949710176 /nfs/dbraw/zinc/71/01/76/949710176.db2.gz VSISYDGIOXGWGR-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817988 949712137 /nfs/dbraw/zinc/71/21/37/949712137.db2.gz DFLWBHXHYWBQDC-ZDUSSCGKSA-N 0 1 383.416 0.024 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716953 949717122 /nfs/dbraw/zinc/71/71/22/949717122.db2.gz MSDPQJQZMXYHKW-RYUDHWBXSA-N 0 1 390.419 0.896 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001573818240 949728688 /nfs/dbraw/zinc/72/86/88/949728688.db2.gz ITTCKHGKQLGKCJ-VIFPVBQESA-N 0 1 389.445 0.497 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717131 949729728 /nfs/dbraw/zinc/72/97/28/949729728.db2.gz URIFAWOVMGCNQL-MNOVXSKESA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717131 949729747 /nfs/dbraw/zinc/72/97/47/949729747.db2.gz URIFAWOVMGCNQL-MNOVXSKESA-N 0 1 377.474 0.533 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573818344 949732861 /nfs/dbraw/zinc/73/28/61/949732861.db2.gz LMHUQMTZFYGCSI-NSHDSACASA-N 0 1 383.416 0.436 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717465 949737113 /nfs/dbraw/zinc/73/71/13/949737113.db2.gz VYZTWAMDWUQOAI-VXGBXAGGSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717465 949737135 /nfs/dbraw/zinc/73/71/35/949737135.db2.gz VYZTWAMDWUQOAI-VXGBXAGGSA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574136382 949742181 /nfs/dbraw/zinc/74/21/81/949742181.db2.gz PAQYXUFHIKRMDG-UONOGXRCSA-N 0 1 390.492 0.985 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C(=O)NCC1CC1 ZINC001573819008 949744394 /nfs/dbraw/zinc/74/43/94/949744394.db2.gz QQXSFFONSPKAHL-CQSZACIVSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718062 949757353 /nfs/dbraw/zinc/75/73/53/949757353.db2.gz RWAFTCHYTNZXKM-QWRGUYRKSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718062 949757364 /nfs/dbraw/zinc/75/73/64/949757364.db2.gz RWAFTCHYTNZXKM-QWRGUYRKSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574963780 949757662 /nfs/dbraw/zinc/75/76/62/949757662.db2.gz NAXARNNDYVIQEW-QMTHXVAHSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481391 949778984 /nfs/dbraw/zinc/77/89/84/949778984.db2.gz PCQGFTFNBJLUOD-WDEREUQCSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574481391 949778999 /nfs/dbraw/zinc/77/89/99/949778999.db2.gz PCQGFTFNBJLUOD-WDEREUQCSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)COCc1ccncc1 ZINC001575280890 949791282 /nfs/dbraw/zinc/79/12/82/949791282.db2.gz BGQBAMGOEDQLKW-OLZOCXBDSA-N 0 1 382.428 0.601 20 0 GCADMN C[C@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720636 949798469 /nfs/dbraw/zinc/79/84/69/949798469.db2.gz FBSYGMYRSKIBOO-CYBMUJFWSA-N 0 1 381.444 0.755 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481927 949810066 /nfs/dbraw/zinc/81/00/66/949810066.db2.gz XQKMRGRPOIUYCA-ZJUUUORDSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574481927 949810089 /nfs/dbraw/zinc/81/00/89/949810089.db2.gz XQKMRGRPOIUYCA-ZJUUUORDSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576172569 949810767 /nfs/dbraw/zinc/81/07/67/949810767.db2.gz XJUMIQFJDNKZAE-CJNGLKHVSA-N 0 1 381.444 0.619 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575883810 949829767 /nfs/dbraw/zinc/82/97/67/949829767.db2.gz SNPUNOOVNCPNFU-MFKMUULPSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574966108 949838711 /nfs/dbraw/zinc/83/87/11/949838711.db2.gz USJHJHQLCWHVLS-LURJTMIESA-N 0 1 382.310 0.051 20 0 GCADMN CC1(C(=O)N[C@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575563406 949839091 /nfs/dbraw/zinc/83/90/91/949839091.db2.gz KIGDLBIQEKPMFH-OLZOCXBDSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](NC(=O)CN(C)c1ccccc1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575282961 949846829 /nfs/dbraw/zinc/84/68/29/949846829.db2.gz CXDFEFTZHLIWCH-CHWSQXEVSA-N 0 1 381.444 0.520 20 0 GCADMN C[C@@H](NC(=O)CN(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575282951 949849102 /nfs/dbraw/zinc/84/91/02/949849102.db2.gz CUBDMYGGLMZFLQ-GFCCVEGCSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177884 949866154 /nfs/dbraw/zinc/86/61/54/949866154.db2.gz CWWJTCLAPMCUFA-KOLCDFICSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574484203 949867407 /nfs/dbraw/zinc/86/74/07/949867407.db2.gz FHZRPWKDEBABNX-QWHCGFSZSA-N 0 1 382.432 0.329 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574484227 949872477 /nfs/dbraw/zinc/87/24/77/949872477.db2.gz FXLGZRCKLBDZSJ-QWRGUYRKSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574484227 949872497 /nfs/dbraw/zinc/87/24/97/949872497.db2.gz FXLGZRCKLBDZSJ-QWRGUYRKSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](NC(=O)CN1CCC(C)(C)C1)[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575283770 949886368 /nfs/dbraw/zinc/88/63/68/949886368.db2.gz HNMYALHFCPEADX-NEPJUHHUSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CN[C@H](C)c1nnnn1C1CC1 ZINC001574968546 949903207 /nfs/dbraw/zinc/90/32/07/949903207.db2.gz PUAYUQSXNAWLIH-NXEZZACHSA-N 0 1 385.436 0.233 20 0 GCADMN C[C@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)CCOC1 ZINC001575569141 949906939 /nfs/dbraw/zinc/90/69/39/949906939.db2.gz GSUFMCLGJGLYER-XIKOKIGWSA-N 0 1 386.460 0.804 20 0 GCADMN CC(C)C[C@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574144550 949910199 /nfs/dbraw/zinc/91/01/99/949910199.db2.gz OVAAMRHZULSFEY-HIFRSBDPSA-N 0 1 388.476 0.550 20 0 GCADMN CC(C)C[C@H](C)OCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574144517 949910705 /nfs/dbraw/zinc/91/07/05/949910705.db2.gz OIXKXBTXIAJTGO-KBPBESRZSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179225 949913869 /nfs/dbraw/zinc/91/38/69/949913869.db2.gz FAEMVAYTKSCQFV-LRDDRELGSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179433 949917527 /nfs/dbraw/zinc/91/75/27/949917527.db2.gz FXFZALKYEOGQFW-MLGOLLRUSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](NC(=O)COCc1cccnc1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285082 949930417 /nfs/dbraw/zinc/93/04/17/949930417.db2.gz YEKDSDHUCDXQQA-CHWSQXEVSA-N 0 1 382.428 0.601 20 0 GCADMN CC1(C(=O)N[C@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@@H]2O)CC1 ZINC001575569784 949930463 /nfs/dbraw/zinc/93/04/63/949930463.db2.gz NWAPUFYWVREITG-YUMQZZPRSA-N 0 1 383.865 0.833 20 0 GCADMN CC1(C(=O)N[C@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]2O)CC1 ZINC001575569780 949931195 /nfs/dbraw/zinc/93/11/95/949931195.db2.gz NWAPUFYWVREITG-JGVFFNPUSA-N 0 1 383.865 0.833 20 0 GCADMN C[C@@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285295 949944206 /nfs/dbraw/zinc/94/42/06/949944206.db2.gz MLOCYYSBGBLNAB-QWHCGFSZSA-N 0 1 382.428 0.241 20 0 GCADMN C[C@@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727264 949958143 /nfs/dbraw/zinc/95/81/43/949958143.db2.gz QVYHAHGPYQSQNP-QWHCGFSZSA-N 0 1 375.433 0.138 20 0 GCADMN C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574489647 949968438 /nfs/dbraw/zinc/96/84/38/949968438.db2.gz KBZWAGFJPQUQMP-ZJUUUORDSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574489647 949968459 /nfs/dbraw/zinc/96/84/59/949968459.db2.gz KBZWAGFJPQUQMP-ZJUUUORDSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180809 949971876 /nfs/dbraw/zinc/97/18/76/949971876.db2.gz JFLRHKYMXIGHEV-BLLLJJGKSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180882 949974080 /nfs/dbraw/zinc/97/40/80/949974080.db2.gz KBJBJCLMXVQPJA-CMPLNLGQSA-N 0 1 384.404 0.205 20 0 GCADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574490132 949981327 /nfs/dbraw/zinc/98/13/27/949981327.db2.gz NGPCCFMMEJBSOX-CKYFFXLPSA-N 0 1 392.489 0.312 20 0 GCADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574490132 949981346 /nfs/dbraw/zinc/98/13/46/949981346.db2.gz NGPCCFMMEJBSOX-CKYFFXLPSA-N 0 1 392.489 0.312 20 0 GCADMN C[C@H](CC(=O)N[C@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(N)=O ZINC001574490309 949983890 /nfs/dbraw/zinc/98/38/90/949983890.db2.gz PPYUILSOXICFBT-GHMZBOCLSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181000 949986993 /nfs/dbraw/zinc/98/69/93/949986993.db2.gz QYZLRYAKRAJMMJ-YGRLFVJLSA-N 0 1 385.407 0.899 20 0 GCADMN CC(C)(C)CC(=O)N1CCC(N(CCO)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573831014 949987326 /nfs/dbraw/zinc/98/73/26/949987326.db2.gz QUPIZFKPPCUXDH-UHFFFAOYSA-N 0 1 388.476 0.883 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)NC(N)=O ZINC001574490559 950001481 /nfs/dbraw/zinc/00/14/81/950001481.db2.gz VBOISEODHRXNKR-RYUDHWBXSA-N 0 1 386.460 0.250 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H](CO)Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCOC1 ZINC001575574527 950023491 /nfs/dbraw/zinc/02/34/91/950023491.db2.gz VVADLQQJOZXZFU-WPPNPWJKSA-N 0 1 387.853 0.292 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)NC(N)=O ZINC001574491323 950031988 /nfs/dbraw/zinc/03/19/88/950031988.db2.gz CAQQLIRYRUOCAM-WFASDCNBSA-N 0 1 386.460 0.394 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnnn1C ZINC001574150881 950039840 /nfs/dbraw/zinc/03/98/40/950039840.db2.gz GAOIGMIOVWTHQW-NSHDSACASA-N 0 1 389.489 0.991 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnnn1C ZINC001574150881 950039862 /nfs/dbraw/zinc/03/98/62/950039862.db2.gz GAOIGMIOVWTHQW-NSHDSACASA-N 0 1 389.489 0.991 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1nnn(C)n1 ZINC001574150905 950044652 /nfs/dbraw/zinc/04/46/52/950044652.db2.gz GQHCBLYEDNVIGK-SNVBAGLBSA-N 0 1 390.477 0.386 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1nnn(C)n1 ZINC001574150905 950044671 /nfs/dbraw/zinc/04/46/71/950044671.db2.gz GQHCBLYEDNVIGK-SNVBAGLBSA-N 0 1 390.477 0.386 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182524 950060523 /nfs/dbraw/zinc/06/05/23/950060523.db2.gz MTRDCQQEOFOMPG-KGLIPLIRSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182524 950060545 /nfs/dbraw/zinc/06/05/45/950060545.db2.gz MTRDCQQEOFOMPG-KGLIPLIRSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCc1ccn(C)n1 ZINC001576182691 950061550 /nfs/dbraw/zinc/06/15/50/950061550.db2.gz OXEOSCPNTGEIAL-WBMJQRKESA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC001574976253 950062407 /nfs/dbraw/zinc/06/24/07/950062407.db2.gz OSJVXDAHGYVFMU-JTQLQIEISA-N 0 1 386.464 0.861 20 0 GCADMN C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182873 950063431 /nfs/dbraw/zinc/06/34/31/950063431.db2.gz NSWUXCSRNBHKEZ-QWHCGFSZSA-N 0 1 386.460 0.236 20 0 GCADMN C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182872 950067703 /nfs/dbraw/zinc/06/77/03/950067703.db2.gz NSWUXCSRNBHKEZ-OLZOCXBDSA-N 0 1 386.460 0.236 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732795 950076870 /nfs/dbraw/zinc/07/68/70/950076870.db2.gz KUHDQCRNFPTAHG-BQBZGAKWSA-N 0 1 384.853 0.514 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732884 950077788 /nfs/dbraw/zinc/07/77/88/950077788.db2.gz LTLYQYOFVXILKF-GFCCVEGCSA-N 0 1 387.469 0.727 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732884 950077807 /nfs/dbraw/zinc/07/78/07/950077807.db2.gz LTLYQYOFVXILKF-GFCCVEGCSA-N 0 1 387.469 0.727 20 0 GCADMN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001575577590 950083388 /nfs/dbraw/zinc/08/33/88/950083388.db2.gz XLNSAOVOWNWJTQ-LLVKDONJSA-N 0 1 380.474 0.312 20 0 GCADMN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001575577590 950083406 /nfs/dbraw/zinc/08/34/06/950083406.db2.gz XLNSAOVOWNWJTQ-LLVKDONJSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@@]1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575582068 950100375 /nfs/dbraw/zinc/10/03/75/950100375.db2.gz DDMYXRNVGVPDPE-SJORKVTESA-N 0 1 392.485 0.408 20 0 GCADMN C[C@@]1(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575582068 950100396 /nfs/dbraw/zinc/10/03/96/950100396.db2.gz DDMYXRNVGVPDPE-SJORKVTESA-N 0 1 392.485 0.408 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575894496 950101587 /nfs/dbraw/zinc/10/15/87/950101587.db2.gz DZZVWSGHHSVUJJ-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183840 950106421 /nfs/dbraw/zinc/10/64/21/950106421.db2.gz RNGPJSPPGMOJKX-CHWSQXEVSA-N 0 1 381.444 0.546 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575895182 950113899 /nfs/dbraw/zinc/11/38/99/950113899.db2.gz HTXDPIDLJJUNJK-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1c[nH]nn1 ZINC001574153113 950129003 /nfs/dbraw/zinc/12/90/03/950129003.db2.gz MUIUTVONVCWHSV-CQSZACIVSA-N 0 1 384.448 0.955 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1cnn[nH]1 ZINC001574153113 950129019 /nfs/dbraw/zinc/12/90/19/950129019.db2.gz MUIUTVONVCWHSV-CQSZACIVSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1cnccc1N(C)C ZINC001574978036 950129669 /nfs/dbraw/zinc/12/96/69/950129669.db2.gz PNQZVUQXEGECLZ-JTQLQIEISA-N 0 1 383.416 0.204 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575896748 950130642 /nfs/dbraw/zinc/13/06/42/950130642.db2.gz NBQNIEDJQFTQPI-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576184867 950140427 /nfs/dbraw/zinc/14/04/27/950140427.db2.gz XIYXZBZAFNSLHR-NEPJUHHUSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184924 950144933 /nfs/dbraw/zinc/14/49/33/950144933.db2.gz YGZFAYONUIEQGO-QWHCGFSZSA-N 0 1 381.444 0.546 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184923 950146114 /nfs/dbraw/zinc/14/61/14/950146114.db2.gz YGZFAYONUIEQGO-OLZOCXBDSA-N 0 1 381.444 0.546 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2=NC(=O)N(C)C2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575898165 950150908 /nfs/dbraw/zinc/15/09/08/950150908.db2.gz QTSUDUCJBNFTBX-PWSUYJOCSA-N 0 1 383.416 0.488 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575898407 950154606 /nfs/dbraw/zinc/15/46/06/950154606.db2.gz SCSNUGZMVJSVGP-MFKMUULPSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@@]1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCC2)CCCOC1 ZINC001575584095 950162972 /nfs/dbraw/zinc/16/29/72/950162972.db2.gz VLTCPURZPUFLCT-QGZVFWFLSA-N 0 1 386.460 0.736 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574154748 950178562 /nfs/dbraw/zinc/17/85/62/950178562.db2.gz HBLGRCCVNBAJIL-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574154748 950178576 /nfs/dbraw/zinc/17/85/76/950178576.db2.gz HBLGRCCVNBAJIL-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574739007 950184244 /nfs/dbraw/zinc/18/42/44/950184244.db2.gz KGOBLCCEKNJOEA-VIFPVBQESA-N 0 1 376.446 0.618 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574739007 950184260 /nfs/dbraw/zinc/18/42/60/950184260.db2.gz KGOBLCCEKNJOEA-VIFPVBQESA-N 0 1 376.446 0.618 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191143 950188529 /nfs/dbraw/zinc/18/85/29/950188529.db2.gz DQALDLNOMQXDRR-NWDGAFQWSA-N 0 1 380.416 0.079 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574155246 950188822 /nfs/dbraw/zinc/18/88/22/950188822.db2.gz KMKMHADENPQJIO-UONOGXRCSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574155246 950188837 /nfs/dbraw/zinc/18/88/37/950188837.db2.gz KMKMHADENPQJIO-UONOGXRCSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574155246 950188849 /nfs/dbraw/zinc/18/88/49/950188849.db2.gz KMKMHADENPQJIO-UONOGXRCSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574155459 950194177 /nfs/dbraw/zinc/19/41/77/950194177.db2.gz LPACYMPOLLNASR-KGLIPLIRSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574155459 950194189 /nfs/dbraw/zinc/19/41/89/950194189.db2.gz LPACYMPOLLNASR-KGLIPLIRSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574155459 950194201 /nfs/dbraw/zinc/19/42/01/950194201.db2.gz LPACYMPOLLNASR-KGLIPLIRSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cccnc1 ZINC001574155601 950200319 /nfs/dbraw/zinc/20/03/19/950200319.db2.gz OPIRXOFRGKDAQQ-CQSZACIVSA-N 0 1 381.444 0.659 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576191689 950204274 /nfs/dbraw/zinc/20/42/74/950204274.db2.gz HTTWOIHPYSLEIF-GXTWGEPZSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576191689 950204284 /nfs/dbraw/zinc/20/42/84/950204284.db2.gz HTTWOIHPYSLEIF-GXTWGEPZSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576191689 950204296 /nfs/dbraw/zinc/20/42/96/950204296.db2.gz HTTWOIHPYSLEIF-GXTWGEPZSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575901098 950213841 /nfs/dbraw/zinc/21/38/41/950213841.db2.gz LDDISMYHDRJDHR-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(N)=O ZINC001574496586 950217440 /nfs/dbraw/zinc/21/74/40/950217440.db2.gz XPFADYDHWXBXJB-QWRGUYRKSA-N 0 1 392.439 0.389 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001574156002 950218856 /nfs/dbraw/zinc/21/88/56/950218856.db2.gz UALPZULRIKFDRZ-MOKVOYLWSA-N 0 1 388.476 0.573 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575901101 950221756 /nfs/dbraw/zinc/22/17/56/950221756.db2.gz LDDISMYHDRJDHR-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1CNCc1ncccn1 ZINC001576192092 950222274 /nfs/dbraw/zinc/22/22/74/950222274.db2.gz LQSVQXQQAHXNCI-CHWSQXEVSA-N 0 1 381.444 0.873 20 0 GCADMN C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192105 950224478 /nfs/dbraw/zinc/22/44/78/950224478.db2.gz LTUIKXYKLUZQME-KSRBRMDJSA-N 0 1 383.456 0.473 20 0 GCADMN CC(C)(C)CNC(=O)CN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573845564 950229456 /nfs/dbraw/zinc/22/94/56/950229456.db2.gz HCUZATSVYHUFPO-LBPRGKRZSA-N 0 1 388.476 0.409 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574157437 950237916 /nfs/dbraw/zinc/23/79/16/950237916.db2.gz BHCICDVIQOVPAD-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574157437 950237931 /nfs/dbraw/zinc/23/79/31/950237931.db2.gz BHCICDVIQOVPAD-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574157437 950237948 /nfs/dbraw/zinc/23/79/48/950237948.db2.gz BHCICDVIQOVPAD-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574157437 950237968 /nfs/dbraw/zinc/23/79/68/950237968.db2.gz BHCICDVIQOVPAD-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)[C@@H]1CCCO1 ZINC001574497724 950238539 /nfs/dbraw/zinc/23/85/39/950238539.db2.gz BSYFYXRAUZRWGJ-OLZOCXBDSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c(F)cncc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574741228 950240093 /nfs/dbraw/zinc/24/00/93/950240093.db2.gz ILIDPNFKAHTDRH-QMMMGPOBSA-N 0 1 375.343 0.324 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1COCCO1 ZINC001574157734 950250717 /nfs/dbraw/zinc/25/07/17/950250717.db2.gz HNXSQVBRGCJACF-IUODEOHRSA-N 0 1 375.433 0.042 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575588730 950251981 /nfs/dbraw/zinc/25/19/81/950251981.db2.gz RJTMCAONCMLTNU-KPZWWZAWSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@@H](CC(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1)NC(N)=O ZINC001574498073 950259100 /nfs/dbraw/zinc/25/91/00/950259100.db2.gz JLPJLYDAAQEMSN-JTQLQIEISA-N 0 1 390.423 0.191 20 0 GCADMN C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192758 950264196 /nfs/dbraw/zinc/26/41/96/950264196.db2.gz QUVGTSHCQJIUDQ-RYUDHWBXSA-N 0 1 380.416 0.079 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192756 950266390 /nfs/dbraw/zinc/26/63/90/950266390.db2.gz QUVGTSHCQJIUDQ-NEPJUHHUSA-N 0 1 380.416 0.079 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574742148 950267987 /nfs/dbraw/zinc/26/79/87/950267987.db2.gz MLHXUDXCZRQALT-VOJFVSQTSA-N 0 1 389.435 0.611 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCNC(=O)C1 ZINC001574158018 950268788 /nfs/dbraw/zinc/26/87/88/950268788.db2.gz MYIBBGJRVOVNPU-CHWSQXEVSA-N 0 1 386.460 0.153 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574158243 950272665 /nfs/dbraw/zinc/27/26/65/950272665.db2.gz PPOHPUNRBPHIHQ-HZSPNIEDSA-N 0 1 387.492 0.362 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1cncn1 ZINC001574158267 950277351 /nfs/dbraw/zinc/27/73/51/950277351.db2.gz QBVUCSFOPVFMAH-CYBMUJFWSA-N 0 1 384.448 0.308 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCc1cn[nH]c1 ZINC001574158743 950284811 /nfs/dbraw/zinc/28/48/11/950284811.db2.gz RUUFPEFQBXTQCP-AWEZNQCLSA-N 0 1 383.460 0.982 20 0 GCADMN C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574499213 950300603 /nfs/dbraw/zinc/30/06/03/950300603.db2.gz TZIMRYQUFYWIHV-HIFPTAJRSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001574742734 950302536 /nfs/dbraw/zinc/30/25/36/950302536.db2.gz QTVJZEOCPOQRJW-GHMZBOCLSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576193707 950312572 /nfs/dbraw/zinc/31/25/72/950312572.db2.gz VLFOVHRXATWXLM-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576193707 950312592 /nfs/dbraw/zinc/31/25/92/950312592.db2.gz VLFOVHRXATWXLM-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193895 950316126 /nfs/dbraw/zinc/31/61/26/950316126.db2.gz VWCDIYQNFMMORW-NXEZZACHSA-N 0 1 386.445 0.140 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnns2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193897 950316731 /nfs/dbraw/zinc/31/67/31/950316731.db2.gz VWCDIYQNFMMORW-VHSXEESVSA-N 0 1 386.445 0.140 20 0 GCADMN C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CNCc1csnn1 ZINC001576193767 950318648 /nfs/dbraw/zinc/31/86/48/950318648.db2.gz WZTCXJRCZOHWHL-JQWIXIFHSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cncn1 ZINC001575907424 950333180 /nfs/dbraw/zinc/33/31/80/950333180.db2.gz OOBNYDFBTKWOIZ-AAEUAGOBSA-N 0 1 387.473 0.689 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cncn1 ZINC001575907424 950333202 /nfs/dbraw/zinc/33/32/02/950333202.db2.gz OOBNYDFBTKWOIZ-AAEUAGOBSA-N 0 1 387.473 0.689 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574160217 950333397 /nfs/dbraw/zinc/33/33/97/950333397.db2.gz MKGIVBBVQUASSN-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574160217 950333419 /nfs/dbraw/zinc/33/34/19/950333419.db2.gz MKGIVBBVQUASSN-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574160217 950333440 /nfs/dbraw/zinc/33/34/40/950333440.db2.gz MKGIVBBVQUASSN-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574160217 950333461 /nfs/dbraw/zinc/33/34/61/950333461.db2.gz MKGIVBBVQUASSN-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cncn1C ZINC001575907557 950336858 /nfs/dbraw/zinc/33/68/58/950336858.db2.gz PDGSYCFPOGVDOA-FZMZJTMJSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CN1CCCC1=O ZINC001575907973 950348586 /nfs/dbraw/zinc/34/85/86/950348586.db2.gz SCSRFNDARNIYGO-DGCLKSJQSA-N 0 1 389.485 0.630 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CN1CCCC1=O ZINC001575907973 950348598 /nfs/dbraw/zinc/34/85/98/950348598.db2.gz SCSRFNDARNIYGO-DGCLKSJQSA-N 0 1 389.485 0.630 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196249 950352134 /nfs/dbraw/zinc/35/21/34/950352134.db2.gz BSHKFPOYKQBOLU-UONOGXRCSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196249 950352153 /nfs/dbraw/zinc/35/21/53/950352153.db2.gz BSHKFPOYKQBOLU-UONOGXRCSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196249 950352174 /nfs/dbraw/zinc/35/21/74/950352174.db2.gz BSHKFPOYKQBOLU-UONOGXRCSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@]1(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575595155 950352315 /nfs/dbraw/zinc/35/23/15/950352315.db2.gz NFUJZZGPZIRCKW-LJQANCHMSA-N 0 1 383.456 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576196194 950356510 /nfs/dbraw/zinc/35/65/10/950356510.db2.gz ACWQKILTSODDGM-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576196194 950356531 /nfs/dbraw/zinc/35/65/31/950356531.db2.gz ACWQKILTSODDGM-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576196194 950356556 /nfs/dbraw/zinc/35/65/56/950356556.db2.gz ACWQKILTSODDGM-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576196194 950356572 /nfs/dbraw/zinc/35/65/72/950356572.db2.gz ACWQKILTSODDGM-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196445 950357208 /nfs/dbraw/zinc/35/72/08/950357208.db2.gz DUCOMZZHRXHZNU-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196445 950357228 /nfs/dbraw/zinc/35/72/28/950357228.db2.gz DUCOMZZHRXHZNU-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196445 950357246 /nfs/dbraw/zinc/35/72/46/950357246.db2.gz DUCOMZZHRXHZNU-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196445 950357264 /nfs/dbraw/zinc/35/72/64/950357264.db2.gz DUCOMZZHRXHZNU-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574161775 950367063 /nfs/dbraw/zinc/36/70/63/950367063.db2.gz XAYXWMVYEOLDBW-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574161775 950367084 /nfs/dbraw/zinc/36/70/84/950367084.db2.gz XAYXWMVYEOLDBW-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574161775 950367104 /nfs/dbraw/zinc/36/71/04/950367104.db2.gz XAYXWMVYEOLDBW-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574161775 950367127 /nfs/dbraw/zinc/36/71/27/950367127.db2.gz XAYXWMVYEOLDBW-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576196903 950371707 /nfs/dbraw/zinc/37/17/07/950371707.db2.gz IRWWMSVLRQJFSR-AWEZNQCLSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576196759 950373620 /nfs/dbraw/zinc/37/36/20/950373620.db2.gz HJICTFXEAIKJQW-CYBMUJFWSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576196759 950373638 /nfs/dbraw/zinc/37/36/38/950373638.db2.gz HJICTFXEAIKJQW-CYBMUJFWSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576196759 950373652 /nfs/dbraw/zinc/37/36/52/950373652.db2.gz HJICTFXEAIKJQW-CYBMUJFWSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576196759 950373672 /nfs/dbraw/zinc/37/36/72/950373672.db2.gz HJICTFXEAIKJQW-CYBMUJFWSA-N 0 1 385.476 0.649 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576196722 950374344 /nfs/dbraw/zinc/37/43/44/950374344.db2.gz GKQKGPOPZUCKPJ-CQSZACIVSA-N 0 1 385.476 0.649 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576196722 950374365 /nfs/dbraw/zinc/37/43/65/950374365.db2.gz GKQKGPOPZUCKPJ-CQSZACIVSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196970 950375595 /nfs/dbraw/zinc/37/55/95/950375595.db2.gz KPLHMGNADQGBOC-UONOGXRCSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196970 950375609 /nfs/dbraw/zinc/37/56/09/950375609.db2.gz KPLHMGNADQGBOC-UONOGXRCSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196970 950375632 /nfs/dbraw/zinc/37/56/32/950375632.db2.gz KPLHMGNADQGBOC-UONOGXRCSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccnc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576196989 950375783 /nfs/dbraw/zinc/37/57/83/950375783.db2.gz LBIBTDSULALAIK-QWHCGFSZSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576196989 950375802 /nfs/dbraw/zinc/37/58/02/950375802.db2.gz LBIBTDSULALAIK-QWHCGFSZSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576196989 950375823 /nfs/dbraw/zinc/37/58/23/950375823.db2.gz LBIBTDSULALAIK-QWHCGFSZSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574745188 950376082 /nfs/dbraw/zinc/37/60/82/950376082.db2.gz GRUMXINLYGTTMP-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574745188 950376104 /nfs/dbraw/zinc/37/61/04/950376104.db2.gz GRUMXINLYGTTMP-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H]1[C@@H](NCc2cc3n(n2)CCC3)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908842 950376771 /nfs/dbraw/zinc/37/67/71/950376771.db2.gz WCZCDPHIZAKGGG-NHYWBVRUSA-N 0 1 381.444 0.730 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC001574990694 950377864 /nfs/dbraw/zinc/37/78/64/950377864.db2.gz FECCKJSNGKULDB-JTQLQIEISA-N 0 1 386.464 0.861 20 0 GCADMN CC(C)CC1(C(=O)N(CCO)CCNc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574162468 950385755 /nfs/dbraw/zinc/38/57/55/950385755.db2.gz BDENVRKZXNYBNL-UHFFFAOYSA-N 0 1 388.476 0.528 20 0 GCADMN CC(C)(C)OC(=O)N1CCO[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573856560 950389742 /nfs/dbraw/zinc/38/97/42/950389742.db2.gz CVWIUNDKJSOPIW-INIZCTEOSA-N 0 1 376.421 0.517 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(CCO)CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576197407 950392817 /nfs/dbraw/zinc/39/28/17/950392817.db2.gz NFLMAZXJOWAXIQ-CYBMUJFWSA-N 0 1 391.451 0.580 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576197407 950392839 /nfs/dbraw/zinc/39/28/39/950392839.db2.gz NFLMAZXJOWAXIQ-CYBMUJFWSA-N 0 1 391.451 0.580 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576197417 950394015 /nfs/dbraw/zinc/39/40/15/950394015.db2.gz NJDXUFOOTLYSMN-SCLBCKFNSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576197417 950394038 /nfs/dbraw/zinc/39/40/38/950394038.db2.gz NJDXUFOOTLYSMN-SCLBCKFNSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576197417 950394048 /nfs/dbraw/zinc/39/40/48/950394048.db2.gz NJDXUFOOTLYSMN-SCLBCKFNSA-N 0 1 385.476 0.071 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574162801 950402784 /nfs/dbraw/zinc/40/27/84/950402784.db2.gz JKCLYJXVQQAJLR-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574162801 950402797 /nfs/dbraw/zinc/40/27/97/950402797.db2.gz JKCLYJXVQQAJLR-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574162801 950402811 /nfs/dbraw/zinc/40/28/11/950402811.db2.gz JKCLYJXVQQAJLR-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574162801 950402823 /nfs/dbraw/zinc/40/28/23/950402823.db2.gz JKCLYJXVQQAJLR-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574162799 950404162 /nfs/dbraw/zinc/40/41/62/950404162.db2.gz JKCLYJXVQQAJLR-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574162799 950404177 /nfs/dbraw/zinc/40/41/77/950404177.db2.gz JKCLYJXVQQAJLR-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574162799 950404192 /nfs/dbraw/zinc/40/41/92/950404192.db2.gz JKCLYJXVQQAJLR-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574162799 950404203 /nfs/dbraw/zinc/40/42/03/950404203.db2.gz JKCLYJXVQQAJLR-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)Cc1cccc(C(N)=O)c1 ZINC001574991431 950404927 /nfs/dbraw/zinc/40/49/27/950404927.db2.gz LOGXHXREWWABIX-NSHDSACASA-N 0 1 382.428 0.544 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574162800 950406271 /nfs/dbraw/zinc/40/62/71/950406271.db2.gz JKCLYJXVQQAJLR-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574162800 950406281 /nfs/dbraw/zinc/40/62/81/950406281.db2.gz JKCLYJXVQQAJLR-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574162800 950406291 /nfs/dbraw/zinc/40/62/91/950406291.db2.gz JKCLYJXVQQAJLR-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574162800 950406304 /nfs/dbraw/zinc/40/63/04/950406304.db2.gz JKCLYJXVQQAJLR-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)CCCN(C)c2nccnc2-c2nnn[n-]2)CC1 ZINC001576198479 950409123 /nfs/dbraw/zinc/40/91/23/950409123.db2.gz TXYFDLDWIZVJKL-UHFFFAOYSA-N 0 1 387.492 0.673 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)CCCN(C)c2nccnc2-c2nn[n-]n2)CC1 ZINC001576198479 950409132 /nfs/dbraw/zinc/40/91/32/950409132.db2.gz TXYFDLDWIZVJKL-UHFFFAOYSA-N 0 1 387.492 0.673 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576198864 950413477 /nfs/dbraw/zinc/41/34/77/950413477.db2.gz WASHWEZCLVDTKS-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576198864 950413494 /nfs/dbraw/zinc/41/34/94/950413494.db2.gz WASHWEZCLVDTKS-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576198864 950413514 /nfs/dbraw/zinc/41/35/14/950413514.db2.gz WASHWEZCLVDTKS-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576198864 950413531 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/nfs/dbraw/zinc/73/14/25/950731425.db2.gz KWPLNMSIOGDQLN-UHFFFAOYSA-N 0 1 386.460 0.540 20 0 GCADMN CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001573879782 950731706 /nfs/dbraw/zinc/73/17/06/950731706.db2.gz MLFUDKYAAFLWNS-JTQLQIEISA-N 0 1 383.416 0.951 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763987 950737975 /nfs/dbraw/zinc/73/79/75/950737975.db2.gz OLAOFMOUMZUSMY-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216627 950741111 /nfs/dbraw/zinc/74/11/11/950741111.db2.gz FAIJBVWWWVYEFI-IUCAKERBSA-N 0 1 382.350 0.680 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575927636 950746355 /nfs/dbraw/zinc/74/63/55/950746355.db2.gz RELTXIOZGWGGSU-SKDRFNHKSA-N 0 1 389.370 0.990 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575927646 950747868 /nfs/dbraw/zinc/74/78/68/950747868.db2.gz RFZNGKOAKHDUSJ-CABZTGNLSA-N 0 1 382.384 0.091 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764180 950748028 /nfs/dbraw/zinc/74/80/28/950748028.db2.gz QRCNUMNYYQEREA-LLVKDONJSA-N 0 1 382.432 0.184 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575927873 950760019 /nfs/dbraw/zinc/76/00/19/950760019.db2.gz VLHLPEAONDLRLJ-BXUZGUMPSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575928098 950772624 /nfs/dbraw/zinc/77/26/24/950772624.db2.gz YPGYXEGGLKISRZ-GXFFZTMASA-N 0 1 379.428 0.999 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncnc1 ZINC001575928080 950773565 /nfs/dbraw/zinc/77/35/65/950773565.db2.gz YKNDDGBMYJJBBE-WFASDCNBSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575929599 950786183 /nfs/dbraw/zinc/78/61/83/950786183.db2.gz CRHJWWDGENMGPZ-OCCSQVGLSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575929599 950786203 /nfs/dbraw/zinc/78/62/03/950786203.db2.gz CRHJWWDGENMGPZ-OCCSQVGLSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CCn2ncc(C(=O)NCCN(C)c3ccnc(-c4nn[nH]n4)n3)c2C1 ZINC001576218335 950786232 /nfs/dbraw/zinc/78/62/32/950786232.db2.gz QVYLMQPQHPLFTJ-NSHDSACASA-N 0 1 382.432 0.302 20 0 GCADMN C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3ccnc(-c4nn[nH]n4)n3)c2C1 ZINC001576218334 950786695 /nfs/dbraw/zinc/78/66/95/950786695.db2.gz QVYLMQPQHPLFTJ-LLVKDONJSA-N 0 1 382.432 0.302 20 0 GCADMN C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575929597 950787313 /nfs/dbraw/zinc/78/73/13/950787313.db2.gz CRHJWWDGENMGPZ-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575929597 950787332 /nfs/dbraw/zinc/78/73/32/950787332.db2.gz CRHJWWDGENMGPZ-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ncn(C)n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574765525 950793827 /nfs/dbraw/zinc/79/38/27/950793827.db2.gz DIYGKVRFLZTHDH-LURJTMIESA-N 0 1 382.841 0.678 20 0 GCADMN CC(C)(C)c1nc[nH]c1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884693 950801815 /nfs/dbraw/zinc/80/18/15/950801815.db2.gz IVNWRKKMGGGXHP-SNVBAGLBSA-N 0 1 382.432 0.686 20 0 GCADMN C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574765879 950803183 /nfs/dbraw/zinc/80/31/83/950803183.db2.gz FOPMQLGSUYDMRW-SECBINFHSA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574766312 950811207 /nfs/dbraw/zinc/81/12/07/950811207.db2.gz IBILDKUAVZLVAS-LLVKDONJSA-N 0 1 384.448 0.603 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC001575010287 950813014 /nfs/dbraw/zinc/81/30/14/950813014.db2.gz CFFQCITYOHATNP-SNVBAGLBSA-N 0 1 386.464 0.861 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576219953 950818201 /nfs/dbraw/zinc/81/82/01/950818201.db2.gz PIAXSIZUARPMLD-OLZOCXBDSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574766378 950821137 /nfs/dbraw/zinc/82/11/37/950821137.db2.gz JEFIMDYCGHGWFO-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)[C@@H]1CCN(C2CCC2)C1=O ZINC001575010616 950823283 /nfs/dbraw/zinc/82/32/83/950823283.db2.gz GQFCBWRFKKXERT-XHDPSFHLSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576221580 950859403 /nfs/dbraw/zinc/85/94/03/950859403.db2.gz VRQHXMHKLICKLO-UWVGGRQHSA-N 0 1 378.387 0.773 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573888719 950873901 /nfs/dbraw/zinc/87/39/01/950873901.db2.gz ZJEIRGYJOVZKIJ-JTQLQIEISA-N 0 1 383.416 0.951 20 0 GCADMN CC(C)(C)n1cnc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001573893322 950874931 /nfs/dbraw/zinc/87/49/31/950874931.db2.gz ABQKYIJYXUOAGN-UHFFFAOYSA-N 0 1 382.432 0.405 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576225925 950876695 /nfs/dbraw/zinc/87/66/95/950876695.db2.gz ACQWPXNXGVNDSU-JSGCOSHPSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576225925 950876708 /nfs/dbraw/zinc/87/67/08/950876708.db2.gz ACQWPXNXGVNDSU-JSGCOSHPSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768057 950879289 /nfs/dbraw/zinc/87/92/89/950879289.db2.gz XGXVUQSUFXKLDW-JTQLQIEISA-N 0 1 383.416 0.592 20 0 GCADMN C[C@@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576226863 950893137 /nfs/dbraw/zinc/89/31/37/950893137.db2.gz CLHUGDHWOZNVAI-KZULUSFZSA-N 0 1 384.444 0.653 20 0 GCADMN CC(C)CCCC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574190139 950907165 /nfs/dbraw/zinc/90/71/65/950907165.db2.gz VCXYWKMDKFHOGE-UHFFFAOYSA-N 0 1 388.476 0.931 20 0 GCADMN CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001573893909 950909398 /nfs/dbraw/zinc/90/93/98/950909398.db2.gz BUWINDGVZAOWAQ-GFCCVEGCSA-N 0 1 381.444 0.962 20 0 GCADMN CC(C)CCCC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574190363 950911424 /nfs/dbraw/zinc/91/14/24/950911424.db2.gz XFPANWMDTZGXTN-GOSISDBHSA-N 0 1 388.476 0.931 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576227521 950915384 /nfs/dbraw/zinc/91/53/84/950915384.db2.gz DKWAJVVUEJGHEC-XIKOKIGWSA-N 0 1 384.444 0.653 20 0 GCADMN C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575936634 950920706 /nfs/dbraw/zinc/92/07/06/950920706.db2.gz GWAKSUOULDPGQY-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575936634 950920713 /nfs/dbraw/zinc/92/07/13/950920713.db2.gz GWAKSUOULDPGQY-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)c1N ZINC001574528112 950923491 /nfs/dbraw/zinc/92/34/91/950923491.db2.gz LGHOJJFOYWSMLT-NXEZZACHSA-N 0 1 389.489 0.931 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)c1N ZINC001574528112 950923508 /nfs/dbraw/zinc/92/35/08/950923508.db2.gz LGHOJJFOYWSMLT-NXEZZACHSA-N 0 1 389.489 0.931 20 0 GCADMN CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001573894693 950932139 /nfs/dbraw/zinc/93/21/39/950932139.db2.gz YJDIGYBILKYAQY-XYPYZODXSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576228353 950939879 /nfs/dbraw/zinc/93/98/79/950939879.db2.gz HOYPUZVLNCDMHL-GXTWGEPZSA-N 0 1 389.435 0.851 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576229028 950961185 /nfs/dbraw/zinc/96/11/85/950961185.db2.gz IMFNLLNQPGZTMD-CHWSQXEVSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnnn1C ZINC001574530195 950968466 /nfs/dbraw/zinc/96/84/66/950968466.db2.gz TWSCWFZAZHOKOS-VHSXEESVSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnnn1C ZINC001574530195 950968484 /nfs/dbraw/zinc/96/84/84/950968484.db2.gz TWSCWFZAZHOKOS-VHSXEESVSA-N 0 1 375.462 0.743 20 0 GCADMN CC1(C)C[C@@H]1C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643790 950981487 /nfs/dbraw/zinc/98/14/87/950981487.db2.gz OYYVMAGAOHIKKM-QWHCGFSZSA-N 0 1 386.460 0.493 20 0 GCADMN CC1(C)C[C@@H]1C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643785 950981658 /nfs/dbraw/zinc/98/16/58/950981658.db2.gz OYYVMAGAOHIKKM-CHWSQXEVSA-N 0 1 386.460 0.493 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576230040 950983648 /nfs/dbraw/zinc/98/36/48/950983648.db2.gz LCYNRNXBEWOMLA-STQMWFEESA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575017486 950997874 /nfs/dbraw/zinc/99/78/74/950997874.db2.gz GSHCAKLEGHMZKS-SNVBAGLBSA-N 0 1 386.391 0.752 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575017670 951009761 /nfs/dbraw/zinc/00/97/61/951009761.db2.gz IPKIIOPGGWKMMS-SNVBAGLBSA-N 0 1 381.400 0.010 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575023851 951084763 /nfs/dbraw/zinc/08/47/63/951084763.db2.gz QXUKVJWSDYCCEZ-SNVBAGLBSA-N 0 1 381.400 0.010 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575023891 951086075 /nfs/dbraw/zinc/08/60/75/951086075.db2.gz RNCJBVVDGRRPHB-VIFPVBQESA-N 0 1 386.441 0.330 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575023891 951086083 /nfs/dbraw/zinc/08/60/83/951086083.db2.gz RNCJBVVDGRRPHB-VIFPVBQESA-N 0 1 386.441 0.330 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024353 951101952 /nfs/dbraw/zinc/10/19/52/951101952.db2.gz BOVRRZRTDJFMIU-QWRGUYRKSA-N 0 1 380.412 0.632 20 0 GCADMN C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccncc1-c1nn[nH]n1 ZINC001575024804 951115209 /nfs/dbraw/zinc/11/52/09/951115209.db2.gz MZYHVOSLDDOJKR-LBPRGKRZSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024976 951120006 /nfs/dbraw/zinc/12/00/06/951120006.db2.gz QXBUAOVUBOXLDI-SNVBAGLBSA-N 0 1 385.407 0.514 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575025985 951137996 /nfs/dbraw/zinc/13/79/96/951137996.db2.gz DRKXQSBCRFHJMR-JTQLQIEISA-N 0 1 381.400 0.010 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575026643 951144829 /nfs/dbraw/zinc/14/48/29/951144829.db2.gz LTGSTNNZMNCXGY-SECBINFHSA-N 0 1 386.441 0.330 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575026643 951144837 /nfs/dbraw/zinc/14/48/37/951144837.db2.gz LTGSTNNZMNCXGY-SECBINFHSA-N 0 1 386.441 0.330 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575027183 951155460 /nfs/dbraw/zinc/15/54/60/951155460.db2.gz CXUSLWPALPNFMF-JTQLQIEISA-N 0 1 381.400 0.405 20 0 GCADMN C[C@@H](CNC(=O)c1cccn2nccc12)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575031697 951201064 /nfs/dbraw/zinc/20/10/64/951201064.db2.gz HEBDNFLHZHMQNA-NSHDSACASA-N 0 1 378.400 0.559 20 0 GCADMN CC(C)Oc1ncccc1C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575031766 951204124 /nfs/dbraw/zinc/20/41/24/951204124.db2.gz ILDDZKDHVGQVEZ-LLVKDONJSA-N 0 1 383.416 0.491 20 0 GCADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)[C@H](C)C1 ZINC001591876844 951228839 /nfs/dbraw/zinc/22/88/39/951228839.db2.gz FNQVKVQTEQNRPX-ZBFHGGJFSA-N 0 1 379.457 0.800 20 0 GCADMN O=C([O-])CC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001595008392 951231399 /nfs/dbraw/zinc/23/13/99/951231399.db2.gz LHNIOYICJMAVGI-IAGOWNOFSA-N 0 1 395.500 0.946 20 0 GCADMN C[C@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575035105 951267252 /nfs/dbraw/zinc/26/72/52/951267252.db2.gz GGNQJVKBFKDKLR-NSHDSACASA-N 0 1 379.428 0.829 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575035228 951269921 /nfs/dbraw/zinc/26/99/21/951269921.db2.gz HZPQJQNWNNIQKL-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1ccncc1-c1nn[nH]n1 ZINC001575040371 951338069 /nfs/dbraw/zinc/33/80/69/951338069.db2.gz VYFJCWQOOLGWJA-NSHDSACASA-N 0 1 384.448 0.508 20 0 GCADMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001602868477 971736512 /nfs/dbraw/zinc/73/65/12/971736512.db2.gz KVLJIHSVTUJZKF-DZGCQCFKSA-N 0 1 380.489 0.966 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575041766 951349833 /nfs/dbraw/zinc/34/98/33/951349833.db2.gz BNQNRDXHHBXEAP-RXMQYKEDSA-N 0 1 383.825 0.646 20 0 GCADMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001602868478 971736832 /nfs/dbraw/zinc/73/68/32/971736832.db2.gz KVLJIHSVTUJZKF-HIFRSBDPSA-N 0 1 380.489 0.966 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575041951 951352229 /nfs/dbraw/zinc/35/22/29/951352229.db2.gz DTMCKDKZPNEZOU-LLVKDONJSA-N 0 1 384.448 0.414 20 0 GCADMN C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575042349 951357834 /nfs/dbraw/zinc/35/78/34/951357834.db2.gz IGQWXVJSAZLLOA-LLVKDONJSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)ccc1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575042300 951359184 /nfs/dbraw/zinc/35/91/84/951359184.db2.gz IBOCPBCIARQYSB-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1Cl)CNc1ccncc1-c1nn[nH]n1 ZINC001575042419 951363091 /nfs/dbraw/zinc/36/30/91/951363091.db2.gz JHBQLKQYSNPDAP-SECBINFHSA-N 0 1 375.824 0.549 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575042718 951370652 /nfs/dbraw/zinc/37/06/52/951370652.db2.gz BCWYKUIGARMBSF-WDEREUQCSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001575042943 951376224 /nfs/dbraw/zinc/37/62/24/951376224.db2.gz NHNFDERBEKWQKG-LLVKDONJSA-N 0 1 383.460 0.945 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001575042946 951377875 /nfs/dbraw/zinc/37/78/75/951377875.db2.gz NHNFDERBEKWQKG-NSHDSACASA-N 0 1 383.460 0.945 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043562 951397217 /nfs/dbraw/zinc/39/72/17/951397217.db2.gz USEMMKPVFLCCKS-MRVPVSSYSA-N 0 1 376.812 0.298 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001575044254 951411554 /nfs/dbraw/zinc/41/15/54/951411554.db2.gz QOXAKKYLSJYMIQ-QMTHXVAHSA-N 0 1 383.416 0.489 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575044325 951413615 /nfs/dbraw/zinc/41/36/15/951413615.db2.gz RIORTFFFUBYUFF-LLVKDONJSA-N 0 1 382.432 0.089 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575044800 951419019 /nfs/dbraw/zinc/41/90/19/951419019.db2.gz VIALHCYJXFFHGY-GFCCVEGCSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575045606 951429653 /nfs/dbraw/zinc/42/96/53/951429653.db2.gz FFOFFCAPLHJBKI-NSHDSACASA-N 0 1 382.432 0.232 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575051960 951456997 /nfs/dbraw/zinc/45/69/97/951456997.db2.gz BZAJNRLFNOSSPW-LLVKDONJSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575052542 951469193 /nfs/dbraw/zinc/46/91/93/951469193.db2.gz LGANMMPWKHENNR-NSHDSACASA-N 0 1 384.448 0.508 20 0 GCADMN C[C@@H](CNC(=O)c1coc(-c2cccnc2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575053389 951478295 /nfs/dbraw/zinc/47/82/95/951478295.db2.gz BWZFBUYIDZUIJP-JTQLQIEISA-N 0 1 392.383 0.359 20 0 GCADMN CC(C)n1ncc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c1Cl ZINC001575053661 951480376 /nfs/dbraw/zinc/48/03/76/951480376.db2.gz TUZVDKOPYBUUMI-SECBINFHSA-N 0 1 390.839 0.740 20 0 GCADMN C[C@H](CNC(=O)c1cnn2c1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575053816 951483917 /nfs/dbraw/zinc/48/39/17/951483917.db2.gz FGHVFXDNZDWPPU-LBPRGKRZSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575054215 951489791 /nfs/dbraw/zinc/48/97/91/951489791.db2.gz XOQIRKDBCWFFNQ-MRVPVSSYSA-N 0 1 392.374 0.583 20 0 GCADMN C[C@H](CNC(=O)c1cnnn1C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575054691 951496651 /nfs/dbraw/zinc/49/66/51/951496651.db2.gz JYSHYJCHCQMOGY-ZCFIWIBFSA-N 0 1 382.841 0.583 20 0 GCADMN C[C@H](CNC(=O)c1csc(C2CC2)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575056339 951518049 /nfs/dbraw/zinc/51/80/49/951518049.db2.gz HTNVSPAMZUWNMH-VIFPVBQESA-N 0 1 385.457 0.891 20 0 GCADMN C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575057400 951528378 /nfs/dbraw/zinc/52/83/78/951528378.db2.gz OYNAXQLFMWSXKU-LURJTMIESA-N 0 1 383.294 0.316 20 0 GCADMN C[C@@H](CNC(=O)c1ncc(F)cc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575060863 951549701 /nfs/dbraw/zinc/54/97/01/951549701.db2.gz IJEXFMPFXXMXMV-QMMMGPOBSA-N 0 1 375.343 0.585 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575060973 951552517 /nfs/dbraw/zinc/55/25/17/951552517.db2.gz KKWVSYMSCLKTBU-SNVBAGLBSA-N 0 1 382.432 0.159 20 0 GCADMN C[C@@H](CNC(=O)c1nn(C)cc1Cl)CNc1ccncc1-c1nn[nH]n1 ZINC001575064942 951581632 /nfs/dbraw/zinc/58/16/32/951581632.db2.gz FWRQRQZBVGYFCI-SECBINFHSA-N 0 1 375.824 0.549 20 0 GCADMN C[C@@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575067261 951606708 /nfs/dbraw/zinc/60/67/08/951606708.db2.gz POZPNHJLKXZDHT-ZETCQYMHSA-N 0 1 379.331 0.837 20 0 GCADMN C[C@H](CNC(=O)c1noc2c1CCCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575067479 951614739 /nfs/dbraw/zinc/61/47/39/951614739.db2.gz TUUNZRGVMONMPD-SNVBAGLBSA-N 0 1 383.416 0.566 20 0 GCADMN CC(C)Oc1cccnc1C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575068254 951631848 /nfs/dbraw/zinc/63/18/48/951631848.db2.gz YTMIMZMALGEQKX-LLVKDONJSA-N 0 1 383.416 0.491 20 0 GCADMN C[C@@H](CNC(=O)c1scnc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575069666 951645445 /nfs/dbraw/zinc/64/54/45/951645445.db2.gz LNMMUWIBEPYQJA-SECBINFHSA-N 0 1 385.457 0.891 20 0 GCADMN O=C([O-])CN1CCC[C@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1=O ZINC001595082281 951695471 /nfs/dbraw/zinc/69/54/71/951695471.db2.gz GLWWNJLFWOPRRH-IAGOWNOFSA-N 0 1 389.452 0.193 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCn1cnnn1 ZINC001575090099 951756450 /nfs/dbraw/zinc/75/64/50/951756450.db2.gz JNERKWRUHQQDGF-LLVKDONJSA-N 0 1 388.411 0.019 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnn(C)c1N ZINC001575090294 951760490 /nfs/dbraw/zinc/76/04/90/951760490.db2.gz KKNZDPHXWXKVKZ-JTQLQIEISA-N 0 1 387.423 0.572 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1COCCO1 ZINC001575090567 951761967 /nfs/dbraw/zinc/76/19/67/951761967.db2.gz MHYHTRFZUOEOEE-ABAIWWIYSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575091152 951770047 /nfs/dbraw/zinc/77/00/47/951770047.db2.gz PQGQGJSSONPQGG-INIZCTEOSA-N 0 1 387.473 0.594 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)Cn1cncn1)C1CC1 ZINC001575091152 951770053 /nfs/dbraw/zinc/77/00/53/951770053.db2.gz PQGQGJSSONPQGG-INIZCTEOSA-N 0 1 387.473 0.594 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCNC(N)=O ZINC001575091576 951777832 /nfs/dbraw/zinc/77/78/32/951777832.db2.gz VJILVGZIHOHWKX-JTQLQIEISA-N 0 1 378.412 0.001 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575091563 951777991 /nfs/dbraw/zinc/77/79/91/951777991.db2.gz VGRQEXZHUOZJEZ-JTQLQIEISA-N 0 1 386.391 0.752 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H](C)n1cncn1 ZINC001575091554 951779202 /nfs/dbraw/zinc/77/92/02/951779202.db2.gz UZONKZFZRFEECJ-VXGBXAGGSA-N 0 1 387.423 0.795 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575091785 951783255 /nfs/dbraw/zinc/78/32/55/951783255.db2.gz YDSCQUQPVZRMKX-BIMULSAOSA-N 0 1 375.408 0.064 20 0 GCADMN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098082 951819604 /nfs/dbraw/zinc/81/96/04/951819604.db2.gz AHDAIOPQELIBED-QWRGUYRKSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098082 951819612 /nfs/dbraw/zinc/81/96/12/951819612.db2.gz AHDAIOPQELIBED-QWRGUYRKSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098417 951823025 /nfs/dbraw/zinc/82/30/25/951823025.db2.gz COLBKEYJZKDMFJ-CMPLNLGQSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098417 951823033 /nfs/dbraw/zinc/82/30/33/951823033.db2.gz COLBKEYJZKDMFJ-CMPLNLGQSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098419 951823496 /nfs/dbraw/zinc/82/34/96/951823496.db2.gz COLBKEYJZKDMFJ-JQWIXIFHSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098419 951823502 /nfs/dbraw/zinc/82/35/02/951823502.db2.gz COLBKEYJZKDMFJ-JQWIXIFHSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099041 951827607 /nfs/dbraw/zinc/82/76/07/951827607.db2.gz HRLLMUBTGVFEMH-SECBINFHSA-N 0 1 389.441 0.776 20 0 GCADMN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099041 951827617 /nfs/dbraw/zinc/82/76/17/951827617.db2.gz HRLLMUBTGVFEMH-SECBINFHSA-N 0 1 389.441 0.776 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099049 951830435 /nfs/dbraw/zinc/83/04/35/951830435.db2.gz HVEJZHDMGOYKSV-JTQLQIEISA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099049 951830442 /nfs/dbraw/zinc/83/04/42/951830442.db2.gz HVEJZHDMGOYKSV-JTQLQIEISA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575099771 951838689 /nfs/dbraw/zinc/83/86/89/951838689.db2.gz OKDKPKTYNGVXCX-QWRGUYRKSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575099771 951838697 /nfs/dbraw/zinc/83/86/97/951838697.db2.gz OKDKPKTYNGVXCX-QWRGUYRKSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100243 951845595 /nfs/dbraw/zinc/84/55/95/951845595.db2.gz SGJGOIGKLISYSA-DIFFPNOSSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100243 951845604 /nfs/dbraw/zinc/84/56/04/951845604.db2.gz SGJGOIGKLISYSA-DIFFPNOSSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100948 951849690 /nfs/dbraw/zinc/84/96/90/951849690.db2.gz XHKWMNNREQVWQT-GHMZBOCLSA-N 0 1 377.474 0.248 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100948 951849695 /nfs/dbraw/zinc/84/96/95/951849695.db2.gz XHKWMNNREQVWQT-GHMZBOCLSA-N 0 1 377.474 0.248 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575101384 951857267 /nfs/dbraw/zinc/85/72/67/951857267.db2.gz COPKSQRDXZTYHY-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575101384 951857272 /nfs/dbraw/zinc/85/72/72/951857272.db2.gz COPKSQRDXZTYHY-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575104151 951882462 /nfs/dbraw/zinc/88/24/62/951882462.db2.gz XTXUVPPVPVZJKH-JTQLQIEISA-N 0 1 388.457 0.272 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575104151 951882469 /nfs/dbraw/zinc/88/24/69/951882469.db2.gz XTXUVPPVPVZJKH-JTQLQIEISA-N 0 1 388.457 0.272 20 0 GCADMN C[C@](CNc1ccc(-c2nn[nH]n2)nc1)(NC(=O)CCc1nc[nH]n1)C1CC1 ZINC001575124125 952025239 /nfs/dbraw/zinc/02/52/39/952025239.db2.gz HBOPSQVQEWPMRV-QGZVFWFLSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@H]1[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000382027358 971796396 /nfs/dbraw/zinc/79/63/96/971796396.db2.gz QVDPONSHNXNHRW-BBRMVZONSA-N 0 1 378.454 0.909 20 0 GCADMN C[C@@](CNc1ccc(-c2nn[nH]n2)nc1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575124836 952036982 /nfs/dbraw/zinc/03/69/82/952036982.db2.gz LOJCGZDRBAISGC-KRWDZBQOSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@](CNc1ccc(-c2nn[nH]n2)nn1)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001575128877 952072013 /nfs/dbraw/zinc/07/20/13/952072013.db2.gz NTWRJCUSGOCUHO-QGZVFWFLSA-N 0 1 382.432 0.709 20 0 GCADMN O=C([O-])Cn1cc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)nn1 ZINC001595143356 952099216 /nfs/dbraw/zinc/09/92/16/952099216.db2.gz ZCJPYQXHDMQMFP-UHFFFAOYSA-N 0 1 379.339 0.090 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1CCC1(F)F)C1CC1 ZINC001575135618 952119843 /nfs/dbraw/zinc/11/98/43/952119843.db2.gz MGNKFWJHLZNROR-MEBBXXQBSA-N 0 1 378.387 0.821 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001575139755 952140248 /nfs/dbraw/zinc/14/02/48/952140248.db2.gz BNCROBXYJOCRMF-ZIAGYGMSSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139755 952140255 /nfs/dbraw/zinc/14/02/55/952140255.db2.gz BNCROBXYJOCRMF-ZIAGYGMSSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139755 952140259 /nfs/dbraw/zinc/14/02/59/952140259.db2.gz BNCROBXYJOCRMF-ZIAGYGMSSA-N 0 1 387.492 0.600 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575139858 952141665 /nfs/dbraw/zinc/14/16/65/952141665.db2.gz CQAKWWHEIJCPEZ-QWHCGFSZSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575141323 952143253 /nfs/dbraw/zinc/14/32/53/952143253.db2.gz GOLJDCGBNITTRA-JTQLQIEISA-N 0 1 390.839 0.278 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575141310 952144262 /nfs/dbraw/zinc/14/42/62/952144262.db2.gz GIWZZVRUTZJLNF-BXUZGUMPSA-N 0 1 380.412 0.341 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575142209 952146755 /nfs/dbraw/zinc/14/67/55/952146755.db2.gz KGUQXHWRMCJTED-JSGCOSHPSA-N 0 1 384.419 0.918 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575142707 952148540 /nfs/dbraw/zinc/14/85/40/952148540.db2.gz LBNHECDIYLZWKJ-GOSISDBHSA-N 0 1 380.412 0.795 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCOc1ccccc1 ZINC001575143210 952150715 /nfs/dbraw/zinc/15/07/15/952150715.db2.gz OMQRBFJEZWWRIK-ZDUSSCGKSA-N 0 1 382.428 0.807 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCOc1ccccc1 ZINC001575143208 952151226 /nfs/dbraw/zinc/15/12/26/952151226.db2.gz OMQRBFJEZWWRIK-CYBMUJFWSA-N 0 1 382.428 0.807 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575143590 952154805 /nfs/dbraw/zinc/15/48/05/952154805.db2.gz BKGMDCSUILLEDL-KRWDZBQOSA-N 0 1 382.432 0.062 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575143721 952156401 /nfs/dbraw/zinc/15/64/01/952156401.db2.gz CGAXESJXUJMYEI-JTQLQIEISA-N 0 1 385.432 0.937 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575144052 952161343 /nfs/dbraw/zinc/16/13/43/952161343.db2.gz FVHMFGUCPZJMMF-MRVPVSSYSA-N 0 1 378.347 0.243 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575144158 952162716 /nfs/dbraw/zinc/16/27/16/952162716.db2.gz UOEODXOIQWQWDI-AAEUAGOBSA-N 0 1 379.428 0.462 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575144317 952164338 /nfs/dbraw/zinc/16/43/38/952164338.db2.gz UZDLRXUVDYHXDT-GFCCVEGCSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575144441 952166055 /nfs/dbraw/zinc/16/60/55/952166055.db2.gz VSESBXJKEZSNTF-GHMZBOCLSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575144604 952167447 /nfs/dbraw/zinc/16/74/47/952167447.db2.gz JKVNZFNVOKUOSQ-GHMZBOCLSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575144658 952169155 /nfs/dbraw/zinc/16/91/55/952169155.db2.gz XCUKPVCFHHOHGC-KWCYVHTRSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575144758 952170597 /nfs/dbraw/zinc/17/05/97/952170597.db2.gz XWAWNRJXLPNHQL-SFHVURJKSA-N 0 1 381.444 0.667 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575144693 952171023 /nfs/dbraw/zinc/17/10/23/952171023.db2.gz KLXRLEKPPPWBTP-JWIMFUQQSA-N 0 1 385.472 0.932 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575144830 952171710 /nfs/dbraw/zinc/17/17/10/952171710.db2.gz MNAPWXQJCLZAKL-JTQLQIEISA-N 0 1 380.416 0.319 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575145069 952177614 /nfs/dbraw/zinc/17/76/14/952177614.db2.gz PCQHHJFNEIUNEG-NEPJUHHUSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575145242 952180536 /nfs/dbraw/zinc/18/05/36/952180536.db2.gz UEEVZMCNDAQUBG-SNVBAGLBSA-N 0 1 385.432 0.937 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575145378 952183031 /nfs/dbraw/zinc/18/30/31/952183031.db2.gz WRHPMZCVYNZODJ-ZMZPIMSZSA-N 0 1 385.428 0.334 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575145649 952187070 /nfs/dbraw/zinc/18/70/70/952187070.db2.gz CACNLKCAKUYJGY-SECBINFHSA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@](CNc1cnc(-c2nnn[n-]2)cn1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575145816 952188436 /nfs/dbraw/zinc/18/84/36/952188436.db2.gz CWUNHFUKPLDZKX-KRWDZBQOSA-N 0 1 383.460 0.449 20 0 GCADMN C[C@@](CNc1cnc(-c2nn[n-]n2)cn1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575145816 952188440 /nfs/dbraw/zinc/18/84/40/952188440.db2.gz CWUNHFUKPLDZKX-KRWDZBQOSA-N 0 1 383.460 0.449 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575145826 952188512 /nfs/dbraw/zinc/18/85/12/952188512.db2.gz DEFGUEGWYZKGBE-CHWSQXEVSA-N 0 1 375.433 0.138 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575145838 952188736 /nfs/dbraw/zinc/18/87/36/952188736.db2.gz DKDCAOPGKKHKTF-SECBINFHSA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575146013 952190315 /nfs/dbraw/zinc/19/03/15/952190315.db2.gz FUZVYLMSWBRJAG-VIFPVBQESA-N 0 1 386.441 0.417 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575146439 952194158 /nfs/dbraw/zinc/19/41/58/952194158.db2.gz LANRPDZODFYHMK-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575146576 952195320 /nfs/dbraw/zinc/19/53/20/952195320.db2.gz LQBFPRBMKGBYSM-JTQLQIEISA-N 0 1 391.386 0.718 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc2ccccn21 ZINC001575146653 952197067 /nfs/dbraw/zinc/19/70/67/952197067.db2.gz MWAFFPVPLYZHGO-LBPRGKRZSA-N 0 1 377.412 0.904 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575147165 952198417 /nfs/dbraw/zinc/19/84/17/952198417.db2.gz RHDFNYMEPPYVFI-VIFPVBQESA-N 0 1 389.370 0.984 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575147389 952199941 /nfs/dbraw/zinc/19/99/41/952199941.db2.gz SFARMGMSUJERJK-LLVKDONJSA-N 0 1 381.444 0.867 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575147732 952201012 /nfs/dbraw/zinc/20/10/12/952201012.db2.gz VEUFBWVOWSEYFS-GFCCVEGCSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575147758 952201131 /nfs/dbraw/zinc/20/11/31/952201131.db2.gz VVPBHQLKBCOARB-LLVKDONJSA-N 0 1 384.448 0.603 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575148139 952202102 /nfs/dbraw/zinc/20/21/02/952202102.db2.gz XXVFUQJFKYVFHM-LBPRGKRZSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575155591 952241869 /nfs/dbraw/zinc/24/18/69/952241869.db2.gz OCZGFQFKPFUXQS-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575155591 952241872 /nfs/dbraw/zinc/24/18/72/952241872.db2.gz OCZGFQFKPFUXQS-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575155592 952242425 /nfs/dbraw/zinc/24/24/25/952242425.db2.gz OCZGFQFKPFUXQS-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575155592 952242432 /nfs/dbraw/zinc/24/24/32/952242432.db2.gz OCZGFQFKPFUXQS-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575156914 952259913 /nfs/dbraw/zinc/25/99/13/952259913.db2.gz INDOAZUGYOHVMH-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN 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Cc1cc(=O)c(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001571157849 952708257 /nfs/dbraw/zinc/70/82/57/952708257.db2.gz AFMOBCZZVJFVRL-UHFFFAOYSA-N 0 1 380.412 0.395 20 0 GCADMN COc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)cc1 ZINC001571158515 952712296 /nfs/dbraw/zinc/71/22/96/952712296.db2.gz KGCMMCRFPXMCFP-BXUZGUMPSA-N 0 1 380.412 0.802 20 0 GCADMN COc1ccnc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC001571158705 952713996 /nfs/dbraw/zinc/71/39/96/952713996.db2.gz MVTXAWWEQTVLKB-VXGBXAGGSA-N 0 1 380.412 0.802 20 0 GCADMN COc1ncccc1C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571159022 952717224 /nfs/dbraw/zinc/71/72/24/952717224.db2.gz PHAQHNMNCYTAHA-NEPJUHHUSA-N 0 1 380.412 0.802 20 0 GCADMN COc1ccc(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001571159346 952718217 /nfs/dbraw/zinc/71/82/17/952718217.db2.gz UXBWOCJBXRGJLF-JOCQHMNTSA-N 0 1 380.412 0.769 20 0 GCADMN Cn1c(=O)cccc1C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571160800 952728270 /nfs/dbraw/zinc/72/82/70/952728270.db2.gz MDYHJZIYVDNSMA-UHFFFAOYSA-N 0 1 380.412 0.359 20 0 GCADMN O=C(Cc1ccoc1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571160788 952728434 /nfs/dbraw/zinc/72/84/34/952728434.db2.gz LZUWURGWWOXTER-UONOGXRCSA-N 0 1 380.412 0.920 20 0 GCADMN Cn1c(=O)cccc1C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571160849 952728873 /nfs/dbraw/zinc/72/88/73/952728873.db2.gz NAXQLSFJACXVSU-UHFFFAOYSA-N 0 1 380.412 0.003 20 0 GCADMN Cc1cc[nH+]c(N2CCN(C(=O)c3[nH]c(=O)c(-c4nnn[n-]4)cc3C)CC2)c1 ZINC001571161031 952729283 /nfs/dbraw/zinc/72/92/83/952729283.db2.gz PBCFZEZOSSZXRE-UHFFFAOYSA-N 0 1 380.412 0.942 20 0 GCADMN O=C(Cc1ccon1)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571161394 952732202 /nfs/dbraw/zinc/73/22/02/952732202.db2.gz UOSLVPQPYPSGCI-OAHLLOKOSA-N 0 1 380.412 0.968 20 0 GCADMN O=C(N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccc(=O)[nH]1 ZINC001571161423 952733076 /nfs/dbraw/zinc/73/30/76/952733076.db2.gz VHIYDGXZFFNNFW-VXGBXAGGSA-N 0 1 380.412 0.795 20 0 GCADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1C[C@H]1c1ccco1 ZINC001571161649 952734467 /nfs/dbraw/zinc/73/44/67/952734467.db2.gz ZTFPDXCIPMXIQX-FIYWTHMPSA-N 0 1 380.412 0.782 20 0 GCADMN CCc1nnc(C)cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571162028 952737109 /nfs/dbraw/zinc/73/71/09/952737109.db2.gz ICTWZCGKOBTECL-LLVKDONJSA-N 0 1 380.416 0.326 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@@H]3[C@@H]2CCN3c2nccnc2-c2nn[nH]n2)n[nH]1 ZINC001571162078 952738959 /nfs/dbraw/zinc/73/89/59/952738959.db2.gz JJTFFUHKPHQOAC-OLZOCXBDSA-N 0 1 380.416 0.572 20 0 GCADMN Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)n1 ZINC001571162661 952745608 /nfs/dbraw/zinc/74/56/08/952745608.db2.gz XJQXPUJNPPQPPR-SRVKXCTJSA-N 0 1 380.416 0.476 20 0 GCADMN Cc1ncc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)[nH]1 ZINC001571165061 952747024 /nfs/dbraw/zinc/74/70/24/952747024.db2.gz BRJULMSNHMDQBM-TUAOUCFPSA-N 0 1 380.416 0.476 20 0 GCADMN Cc1nccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)n1 ZINC001571165159 952747962 /nfs/dbraw/zinc/74/79/62/952747962.db2.gz DLOBDYOFOWTGFX-CMPLNLGQSA-N 0 1 380.416 0.282 20 0 GCADMN O=C(N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cnccn1 ZINC001571165194 952748035 /nfs/dbraw/zinc/74/80/35/952748035.db2.gz FPYGVBHEFQSIRS-NEPJUHHUSA-N 0 1 380.416 0.269 20 0 GCADMN O=C(Cc1nnc[nH]1)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[nH]n2)cn1 ZINC001571165150 952748442 /nfs/dbraw/zinc/74/84/42/952748442.db2.gz DGBQTPLQMDCKAM-YHWZYXNKSA-N 0 1 380.416 0.239 20 0 GCADMN Cc1nccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)n1 ZINC001571165162 952748658 /nfs/dbraw/zinc/74/86/58/952748658.db2.gz DLOBDYOFOWTGFX-ZYHUDNBSSA-N 0 1 380.416 0.282 20 0 GCADMN Cc1ncncc1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571166585 952763448 /nfs/dbraw/zinc/76/34/48/952763448.db2.gz TZKSQHKCSYKRSU-LBPRGKRZSA-N 0 1 380.416 0.544 20 0 GCADMN O=C(c1cc(C2CC2)n[nH]1)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571166845 952766290 /nfs/dbraw/zinc/76/62/90/952766290.db2.gz XUMVRZNQPYEURN-JTQLQIEISA-N 0 1 380.416 0.253 20 0 GCADMN O=C(c1cc(C2CC2)n[nH]1)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571166846 952767022 /nfs/dbraw/zinc/76/70/22/952767022.db2.gz XUMVRZNQPYEURN-SNVBAGLBSA-N 0 1 380.416 0.253 20 0 GCADMN COC[C@@]1(CO)CCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC001571167155 952770344 /nfs/dbraw/zinc/77/03/44/952770344.db2.gz WQOBWHQXKNOZII-HNNXBMFYSA-N 0 1 380.430 0.160 20 0 GCADMN CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571169978 952782029 /nfs/dbraw/zinc/78/20/29/952782029.db2.gz BIGSZMBHWOVXNO-SCVCMEIPSA-N 0 1 381.400 0.747 20 0 GCADMN NC(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)co1 ZINC001571171071 952790284 /nfs/dbraw/zinc/79/02/84/952790284.db2.gz NHVJFWKNHDSXAY-CYBMUJFWSA-N 0 1 381.396 0.563 20 0 GCADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1cncc(F)c1 ZINC001571171309 952793008 /nfs/dbraw/zinc/79/30/08/952793008.db2.gz QTIIPPZBLGCXNA-UPJWGTAASA-N 0 1 381.375 0.731 20 0 GCADMN C[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1CNC(=O)c1cn[nH]c(=O)c1 ZINC001571174574 952809275 /nfs/dbraw/zinc/80/92/75/952809275.db2.gz AVYDNLQVTBHQKE-ZYHUDNBSSA-N 0 1 381.400 0.260 20 0 GCADMN Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(=O)[nH]n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174601 952810914 /nfs/dbraw/zinc/81/09/14/952810914.db2.gz BMXHDSQAZQRZOW-LLVKDONJSA-N 0 1 381.400 0.465 20 0 GCADMN COc1cnc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nc1 ZINC001571174730 952813396 /nfs/dbraw/zinc/81/33/96/952813396.db2.gz GOQANQFDECBLBH-QWRGUYRKSA-N 0 1 381.400 0.197 20 0 GCADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cnc(C2CC2)o1 ZINC001571174759 952814252 /nfs/dbraw/zinc/81/42/52/952814252.db2.gz HNMGARKBGMHXBR-MWLCHTKSSA-N 0 1 381.400 0.777 20 0 GCADMN CN(C(=O)c1cnoc1C1CC1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571174796 952814545 /nfs/dbraw/zinc/81/45/45/952814545.db2.gz IJNHRETXRADPLR-UHFFFAOYSA-N 0 1 381.400 0.659 20 0 GCADMN COc1ncc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001571174916 952817204 /nfs/dbraw/zinc/81/72/04/952817204.db2.gz MTBWLABNIPUSOA-GFCCVEGCSA-N 0 1 381.400 0.377 20 0 GCADMN O=C(Cc1cc(C2CC2)no1)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571175734 952824567 /nfs/dbraw/zinc/82/45/67/952824567.db2.gz GRMHKSVVBKBTHT-NSHDSACASA-N 0 1 381.400 0.460 20 0 GCADMN COc1cnc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001571175757 952825574 /nfs/dbraw/zinc/82/55/74/952825574.db2.gz YOQVBJFBZRXYAQ-XYPYZODXSA-N 0 1 381.400 0.103 20 0 GCADMN O=C(c1ocnc1C1CC1)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571178361 952838964 /nfs/dbraw/zinc/83/89/64/952838964.db2.gz GPSXPBSLVUYPER-JTQLQIEISA-N 0 1 381.400 0.518 20 0 GCADMN COc1ccc([C@@H](O)CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)cc1 ZINC001571182679 952867394 /nfs/dbraw/zinc/86/73/94/952867394.db2.gz BJWPSOXUJYKUQW-NSHDSACASA-N 0 1 381.439 0.949 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571183469 952878753 /nfs/dbraw/zinc/87/87/53/952878753.db2.gz BDVDZWKKLPTBDD-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN CCCn1nccc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571183534 952880181 /nfs/dbraw/zinc/88/01/81/952880181.db2.gz CWPOBCPXZUHXBX-CYBMUJFWSA-N 0 1 381.444 0.925 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC001571183678 952881351 /nfs/dbraw/zinc/88/13/51/952881351.db2.gz HFRZZPXXNJOZJV-CHWSQXEVSA-N 0 1 381.444 0.770 20 0 GCADMN CCc1cc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nn1C ZINC001571183863 952884446 /nfs/dbraw/zinc/88/44/46/952884446.db2.gz LGAUZXPBRIISIY-GFCCVEGCSA-N 0 1 381.444 0.615 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183949 952885853 /nfs/dbraw/zinc/88/58/53/952885853.db2.gz NGNQSGQSMDQDBU-DOMZBBRYSA-N 0 1 381.444 0.688 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC001571184069 952887511 /nfs/dbraw/zinc/88/75/11/952887511.db2.gz PPVBGIWBWZKNJB-STQMWFEESA-N 0 1 381.444 0.770 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571184144 952888424 /nfs/dbraw/zinc/88/84/24/952888424.db2.gz RMMDPGUZPJDHRP-UHFFFAOYSA-N 0 1 381.444 0.933 20 0 GCADMN C[C@@H](NC(=O)c1cnn(C)c1N)C1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571184183 952889116 /nfs/dbraw/zinc/88/91/16/952889116.db2.gz SUDGIKIRQGJKGC-LLVKDONJSA-N 0 1 381.444 0.433 20 0 GCADMN CCc1c(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cnn1C ZINC001571184282 952890419 /nfs/dbraw/zinc/89/04/19/952890419.db2.gz VKQOHPDMZZWAFN-GFCCVEGCSA-N 0 1 381.444 0.696 20 0 GCADMN CCc1nn(C)cc1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571184300 952891023 /nfs/dbraw/zinc/89/10/23/952891023.db2.gz VVQLRLUMAGZABR-UHFFFAOYSA-N 0 1 381.444 0.600 20 0 GCADMN CCn1ccc(C(=O)N2CCC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571184603 952895682 /nfs/dbraw/zinc/89/56/82/952895682.db2.gz AUFDSWTUXPFNKQ-ZDUSSCGKSA-N 0 1 381.444 0.925 20 0 GCADMN CCn1nccc1C(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001571184987 952898330 /nfs/dbraw/zinc/89/83/30/952898330.db2.gz GJMKDODDUKLKNH-OLZOCXBDSA-N 0 1 381.444 0.924 20 0 GCADMN CCn1cc(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001571185112 952899591 /nfs/dbraw/zinc/89/95/91/952899591.db2.gz IPLQERWVPDPQFS-HNNXBMFYSA-N 0 1 381.444 0.873 20 0 GCADMN CCn1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571185388 952900889 /nfs/dbraw/zinc/90/08/89/952900889.db2.gz KZRWACUXVHVMEW-BDJLRTHQSA-N 0 1 381.444 0.781 20 0 GCADMN CCn1ccc(C(=O)N2C[C@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571185402 952901916 /nfs/dbraw/zinc/90/19/16/952901916.db2.gz KZRWACUXVHVMEW-MEDUHNTESA-N 0 1 381.444 0.781 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)c(C)[nH]1 ZINC001571185487 952902376 /nfs/dbraw/zinc/90/23/76/952902376.db2.gz MGPVKNVYYARKGC-ZWNOBZJWSA-N 0 1 381.444 0.844 20 0 GCADMN Cc1c[nH]cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571186655 952907460 /nfs/dbraw/zinc/90/74/60/952907460.db2.gz ZJECGZACLLMEQM-CHWSQXEVSA-N 0 1 381.444 0.925 20 0 GCADMN Cc1cc(NC[C@@H]2CCCN2C(=O)CCc2cn[nH]c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187739 952910385 /nfs/dbraw/zinc/91/03/85/952910385.db2.gz BKQVTWCJGHCCGS-AWEZNQCLSA-N 0 1 381.444 0.751 20 0 GCADMN Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cn2cccn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187911 952910452 /nfs/dbraw/zinc/91/04/52/952910452.db2.gz CRHYWRKXTAUJPZ-HIFRSBDPSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1cnn(C)c1C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571187997 952911606 /nfs/dbraw/zinc/91/16/06/952911606.db2.gz FMBWYOZDIQLPRR-IAQYHMDHSA-N 0 1 381.444 0.607 20 0 GCADMN Cc1ccn([C@@H](C)CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571187957 952911700 /nfs/dbraw/zinc/91/17/00/952911700.db2.gz DNHINLOBHKETCL-KBPBESRZSA-N 0 1 381.444 0.853 20 0 GCADMN Cc1cc(NC2(C)CCN(C(=O)Cc3ncc[nH]3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188168 952912703 /nfs/dbraw/zinc/91/27/03/952912703.db2.gz HGHOMDQKMYDLKY-UHFFFAOYSA-N 0 1 381.444 0.751 20 0 GCADMN Cc1ccn(C)c1C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571188353 952913350 /nfs/dbraw/zinc/91/33/50/952913350.db2.gz JEVJZLXYLJIXHT-GOSISDBHSA-N 0 1 381.444 0.690 20 0 GCADMN Cn1cc(CN2CC[C@@]3(NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)CCC[C@H]23)cn1 ZINC001571189166 952925421 /nfs/dbraw/zinc/92/54/21/952925421.db2.gz NQEIDASMGUNKAW-YJBOKZPZSA-N 0 1 381.444 0.855 20 0 GCADMN Cc1cnn(CC(=O)N[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)CC2)c1 ZINC001571189239 952926745 /nfs/dbraw/zinc/92/67/45/952926745.db2.gz TXCJTMPDZPFCDW-AWEZNQCLSA-N 0 1 381.444 0.942 20 0 GCADMN Cc1nn(C)cc1C(=O)N1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189276 952928472 /nfs/dbraw/zinc/92/84/72/952928472.db2.gz UIWKCQQKGWKTJW-ZDUSSCGKSA-N 0 1 381.444 0.751 20 0 GCADMN Cc1c(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H](C)C2)cnn1C ZINC001571189489 952929160 /nfs/dbraw/zinc/92/91/60/952929160.db2.gz VWYZQIYEPRJVMH-QFYYESIMSA-N 0 1 381.444 0.607 20 0 GCADMN Cc1nn(C)cc1CC(=O)N[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189534 952930236 /nfs/dbraw/zinc/93/02/36/952930236.db2.gz WXTJWWBTBAQEHS-OKILXGFUSA-N 0 1 381.444 0.336 20 0 GCADMN Cc1cc(N2CCC[C@H](CNC(=O)c3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189555 952930441 /nfs/dbraw/zinc/93/04/41/952930441.db2.gz XEPWKZADELBQOQ-CYBMUJFWSA-N 0 1 381.444 0.950 20 0 GCADMN Cc1ncn(C)c1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189618 952931873 /nfs/dbraw/zinc/93/18/73/952931873.db2.gz YVXXNGOZQUODDU-CYBMUJFWSA-N 0 1 381.444 0.868 20 0 GCADMN Cc1cc(C)n(CC(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)n1 ZINC001571189649 952932025 /nfs/dbraw/zinc/93/20/25/952932025.db2.gz ZOUPQKPFRZVQGF-TZMCWYRMSA-N 0 1 381.444 0.598 20 0 GCADMN Cc1cc(NC[C@H]2CCCN(C(=O)c3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189623 952932284 /nfs/dbraw/zinc/93/22/84/952932284.db2.gz ZAPAPIBVWXICDV-CYBMUJFWSA-N 0 1 381.444 0.690 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)Cc1cccc(F)c1 ZINC001571196476 952981741 /nfs/dbraw/zinc/98/17/41/952981741.db2.gz KZXKGQDUZYFROK-BXUZGUMPSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)Cc1cccc(F)c1 ZINC001571196477 952981915 /nfs/dbraw/zinc/98/19/15/952981915.db2.gz KZXKGQDUZYFROK-FZMZJTMJSA-N 0 1 382.403 0.862 20 0 GCADMN Cc1ccc(F)c(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571196498 952982929 /nfs/dbraw/zinc/98/29/29/952982929.db2.gz LJHRMVLPWJQVDP-ZDUSSCGKSA-N 0 1 382.403 0.782 20 0 GCADMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)c1ccnn1C ZINC001571198561 952991652 /nfs/dbraw/zinc/99/16/52/952991652.db2.gz CGQRKWZVMIEIHS-GDBMZVCRSA-N 0 1 382.428 0.229 20 0 GCADMN COc1ccc(CN2CC(CNC(=O)c3ccnn3C)C2)cc1-c1nn[nH]n1 ZINC001571199654 953003438 /nfs/dbraw/zinc/00/34/38/953003438.db2.gz XXJZDUAUKJUOHL-UHFFFAOYSA-N 0 1 382.428 0.471 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)c1ccco1 ZINC001571199737 953003848 /nfs/dbraw/zinc/00/38/48/953003848.db2.gz AQDYOLRREZKEGX-DAXOMENPSA-N 0 1 382.424 0.925 20 0 GCADMN Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2ccon2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571201706 953019953 /nfs/dbraw/zinc/01/99/53/953019953.db2.gz NDMYNPJDVDCDNX-SWLSCSKDSA-N 0 1 382.428 0.920 20 0 GCADMN Cc1cc(CC(=O)N2CC[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)no1 ZINC001571202252 953024233 /nfs/dbraw/zinc/02/42/33/953024233.db2.gz SFFUZBXZCLPLFX-CYBMUJFWSA-N 0 1 382.428 0.792 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571204537 953030519 /nfs/dbraw/zinc/03/05/19/953030519.db2.gz AMFRIJFLKTYEAK-FZMZJTMJSA-N 0 1 382.432 0.173 20 0 GCADMN CCc1cc(C(=O)N2CCC[C@@H]2CNc2nc(C)cc(-c3nn[nH]n3)n2)n[nH]1 ZINC001571204899 953033389 /nfs/dbraw/zinc/03/33/89/953033389.db2.gz FLCNYBMZEHNQLX-GFCCVEGCSA-N 0 1 382.432 0.967 20 0 GCADMN CCCc1n[nH]cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205487 953039304 /nfs/dbraw/zinc/03/93/04/953039304.db2.gz JZNILLHJFODPIU-LLVKDONJSA-N 0 1 382.432 0.328 20 0 GCADMN CC(C)(C)n1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571205610 953040345 /nfs/dbraw/zinc/04/03/45/953040345.db2.gz JXAANLUNTAJOTL-NSHDSACASA-N 0 1 382.432 0.617 20 0 GCADMN CCn1ccnc1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571205814 953042034 /nfs/dbraw/zinc/04/20/34/953042034.db2.gz BJNBHUHXMCMYEU-UHFFFAOYSA-N 0 1 382.432 0.614 20 0 GCADMN CCc1cc(C(=O)N2CCC[C@@H](Nc3nc(C)cc(-c4nn[nH]n4)n3)C2)n[nH]1 ZINC001571205983 953044835 /nfs/dbraw/zinc/04/48/35/953044835.db2.gz QAJCCTIVDJLFOT-GFCCVEGCSA-N 0 1 382.432 0.967 20 0 GCADMN CCc1nc(-c2nn[nH]n2)cc(N(C)C2CCN(C(=O)c3ccn[nH]3)CC2)n1 ZINC001571206060 953045974 /nfs/dbraw/zinc/04/59/74/953045974.db2.gz RIGNRKSECSRJML-UHFFFAOYSA-N 0 1 382.432 0.683 20 0 GCADMN CCC1(Nc2cnc(-c3nn[nH]n3)cn2)CCN(C(=O)Cc2ccn[nH]2)CC1 ZINC001571206050 953046180 /nfs/dbraw/zinc/04/61/80/953046180.db2.gz RHNFOEQNRFLARE-UHFFFAOYSA-N 0 1 382.432 0.806 20 0 GCADMN Cc1nc[nH]c1CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571206386 953050206 /nfs/dbraw/zinc/05/02/06/953050206.db2.gz GBUQZLDCMXXAIV-GFCCVEGCSA-N 0 1 382.432 0.358 20 0 GCADMN Cc1nc[nH]c1CC(=O)N1CCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001571206386 953050210 /nfs/dbraw/zinc/05/02/10/953050210.db2.gz GBUQZLDCMXXAIV-GFCCVEGCSA-N 0 1 382.432 0.358 20 0 GCADMN CCn1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)cn1 ZINC001571206433 953050839 /nfs/dbraw/zinc/05/08/39/953050839.db2.gz GXGYZJJTOPYFBQ-GFCCVEGCSA-N 0 1 382.432 0.518 20 0 GCADMN CCn1cnc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571206471 953050918 /nfs/dbraw/zinc/05/09/18/953050918.db2.gz HEXOIEOPHSHQEX-KRWDZBQOSA-N 0 1 382.432 0.259 20 0 GCADMN CCc1cc(C(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571206434 953050976 /nfs/dbraw/zinc/05/09/76/953050976.db2.gz ULMIEQASVYNFGW-LBPRGKRZSA-N 0 1 382.432 0.683 20 0 GCADMN CCn1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001571206531 953051721 /nfs/dbraw/zinc/05/17/21/953051721.db2.gz HXTPIHWINNOMSJ-UHFFFAOYSA-N 0 1 382.432 0.259 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001571206474 953051890 /nfs/dbraw/zinc/05/18/90/953051890.db2.gz PYGGSKMDFQVRPM-QWHCGFSZSA-N 0 1 382.432 0.187 20 0 GCADMN CCc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571206625 953052632 /nfs/dbraw/zinc/05/26/32/953052632.db2.gz VTRBSYRERVRXIA-GHMZBOCLSA-N 0 1 382.432 0.327 20 0 GCADMN Cc1ncc(CC(=O)N2CC[C@H]([C@H](C)Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571206568 953053114 /nfs/dbraw/zinc/05/31/14/953053114.db2.gz RACDWFVDDONZLP-AAEUAGOBSA-N 0 1 382.428 0.872 20 0 GCADMN CCc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571206629 953053199 /nfs/dbraw/zinc/05/31/99/953053199.db2.gz VTRBSYRERVRXIA-MNOVXSKESA-N 0 1 382.432 0.327 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]2C)n1 ZINC001571206809 953055971 /nfs/dbraw/zinc/05/59/71/953055971.db2.gz KUAPKUYPOPBYLZ-ZYHUDNBSSA-N 0 1 382.432 0.899 20 0 GCADMN CCc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571206985 953058475 /nfs/dbraw/zinc/05/84/75/953058475.db2.gz YZDSAZFKODQOAG-LLVKDONJSA-N 0 1 382.432 0.731 20 0 GCADMN Cc1[nH]nc(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)c1C ZINC001571207142 953060095 /nfs/dbraw/zinc/06/00/95/953060095.db2.gz NRRDKWQBLGEBBL-GFCCVEGCSA-N 0 1 382.432 0.786 20 0 GCADMN O=C(NC[C@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)c1ncc[nH]1 ZINC001571207229 953061043 /nfs/dbraw/zinc/06/10/43/953061043.db2.gz XVIHGQLQZUFCRS-HNNXBMFYSA-N 0 1 382.428 0.611 20 0 GCADMN CCn1nc(C)cc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207240 953061420 /nfs/dbraw/zinc/06/14/20/953061420.db2.gz OXHPIGJFCNPFCJ-LBPRGKRZSA-N 0 1 382.432 0.438 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1)c1ncccc1-c1nn[nH]n1 ZINC001571207298 953061835 /nfs/dbraw/zinc/06/18/35/953061835.db2.gz PXEVGOFCSJENON-LBPRGKRZSA-N 0 1 382.432 0.297 20 0 GCADMN CCn1nccc1C(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207419 953062463 /nfs/dbraw/zinc/06/24/63/953062463.db2.gz RGBZEFYXLQLWHD-NWDGAFQWSA-N 0 1 382.432 0.448 20 0 GCADMN CN(C[C@@H]1CCCCN1C(=O)Cc1ccn[nH]1)c1cnc(-c2nn[nH]n2)cn1 ZINC001571207611 953065074 /nfs/dbraw/zinc/06/50/74/953065074.db2.gz XXCVMVJCBMUAAA-ZDUSSCGKSA-N 0 1 382.432 0.440 20 0 GCADMN Cn1nncc1C(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571210007 953069622 /nfs/dbraw/zinc/06/96/22/953069622.db2.gz LPANSXUFGNFMFM-HAQNSBGRSA-N 0 1 382.432 0.213 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571211464 953076294 /nfs/dbraw/zinc/07/62/94/953076294.db2.gz BEVVDFBHDPYIQE-RNCFNFMXSA-N 0 1 382.432 0.959 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3nc(C)cc(-c4nn[nH]n4)n3)C2)n[nH]1 ZINC001571211487 953077070 /nfs/dbraw/zinc/07/70/70/953077070.db2.gz BRRZMTDLEAPWDG-JOYOIKCWSA-N 0 1 382.432 0.817 20 0 GCADMN Cc1nc(CN2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001571211501 953077750 /nfs/dbraw/zinc/07/77/50/953077750.db2.gz BYLSEHWJOUGASF-UONOGXRCSA-N 0 1 382.432 0.500 20 0 GCADMN Cc1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[nH]n3)[C@H](C)C2)n[nH]1 ZINC001571211611 953078721 /nfs/dbraw/zinc/07/87/21/953078721.db2.gz CCGNGEFACHOFTR-ZYHUDNBSSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1nc(CN2CC[C@@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@@H]3C2)n[nH]1 ZINC001571211844 953081686 /nfs/dbraw/zinc/08/16/86/953081686.db2.gz HEMMDISOMIMKCS-NEPJUHHUSA-N 0 1 382.432 0.215 20 0 GCADMN Cc1cc(NC[C@H]2CCCCN2C(=O)c2cn(C)nn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211879 953082472 /nfs/dbraw/zinc/08/24/72/953082472.db2.gz HUCMQMLBCAKURV-GFCCVEGCSA-N 0 1 382.432 0.227 20 0 GCADMN Cc1nc(CC(=O)NC2CCN(c3ccc(-c4nn[nH]n4)c(C)n3)CC2)n[nH]1 ZINC001571211903 953082586 /nfs/dbraw/zinc/08/25/86/953082586.db2.gz IJHAZIDAEFXBDM-UHFFFAOYSA-N 0 1 382.432 0.324 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)n1 ZINC001571211913 953082610 /nfs/dbraw/zinc/08/26/10/953082610.db2.gz ILTSXBRSOAKJJV-LBPRGKRZSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)n1 ZINC001571211913 953082613 /nfs/dbraw/zinc/08/26/13/953082613.db2.gz ILTSXBRSOAKJJV-LBPRGKRZSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1ncn(C)c1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571212116 953084245 /nfs/dbraw/zinc/08/42/45/953084245.db2.gz JCVGGEACEYRLIU-NWDGAFQWSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCCN2C(=O)CCc2nc[nH]n2)n1 ZINC001571212164 953085398 /nfs/dbraw/zinc/08/53/98/953085398.db2.gz KHJHWLYAIXIZFB-GFCCVEGCSA-N 0 1 382.432 0.724 20 0 GCADMN Cc1cn(C)nc1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571212333 953087241 /nfs/dbraw/zinc/08/72/41/953087241.db2.gz LTFFVMCIYOUIQL-LBPRGKRZSA-N 0 1 382.432 0.488 20 0 GCADMN Cc1nc(CN2CC[C@@]3(NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)CCC[C@H]23)n[nH]1 ZINC001571212698 953089525 /nfs/dbraw/zinc/08/95/25/953089525.db2.gz OIAICYMJXMLUKE-GUYCJALGSA-N 0 1 382.432 0.548 20 0 GCADMN Cc1nc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n[nH]1 ZINC001571213097 953092276 /nfs/dbraw/zinc/09/22/76/953092276.db2.gz QROKBMITNDHWLB-ZDUSSCGKSA-N 0 1 382.432 0.406 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H](CCNc2ccc(-c3nn[nH]n3)c(C)n2)C1 ZINC001571213200 953093431 /nfs/dbraw/zinc/09/34/31/953093431.db2.gz RUSNJJJWXPANFF-LBPRGKRZSA-N 0 1 382.432 0.961 20 0 GCADMN Cc1cc(C(=O)N2CCC(CNc3nc(C)cc(-c4nn[nH]n4)n3)CC2)n[nH]1 ZINC001571213440 953095941 /nfs/dbraw/zinc/09/59/41/953095941.db2.gz SZOJPHICTPLKIK-UHFFFAOYSA-N 0 1 382.432 0.961 20 0 GCADMN Cc1cc(C(=O)N2CCCC[C@@H]2CN(C)c2cnc(-c3nn[nH]n3)cn2)n[nH]1 ZINC001571213808 953097703 /nfs/dbraw/zinc/09/77/03/953097703.db2.gz WEDDKKBDFFBDPA-GFCCVEGCSA-N 0 1 382.432 0.819 20 0 GCADMN Cc1nc(N2CCC[C@@H]([C@H](C)NC(=O)c3cnn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571213894 953098300 /nfs/dbraw/zinc/09/83/00/953098300.db2.gz YFTKFNISYUHAHP-CMPLNLGQSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1ccnn1CC(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001571214131 953099989 /nfs/dbraw/zinc/09/99/89/953099989.db2.gz YJMRMKVSAUMSTP-LBPRGKRZSA-N 0 1 382.432 0.193 20 0 GCADMN NC(=O)[C@@H](C1CC1)N(CC1CC1)S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001571214308 953100557 /nfs/dbraw/zinc/10/05/57/953100557.db2.gz WZQRLYQKFXTGOK-LLVKDONJSA-N 0 1 382.471 0.593 20 0 GCADMN Cc1cc(N2CCC(N(C)C(=O)c3cnnn3C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214266 953100726 /nfs/dbraw/zinc/10/07/26/953100726.db2.gz ZSQJAIIDUBMYKV-UHFFFAOYSA-N 0 1 382.432 0.440 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2cncc(F)c2)CC1 ZINC001571216943 953105687 /nfs/dbraw/zinc/10/56/87/953105687.db2.gz DCOHHKLWEGQFBY-UHFFFAOYSA-N 0 1 383.391 0.720 20 0 GCADMN O=C(Cc1ccon1)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571218291 953113679 /nfs/dbraw/zinc/11/36/79/953113679.db2.gz VJANUUCSWAQBPV-HALDLXJZSA-N 0 1 383.387 0.783 20 0 GCADMN O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(F)cn1 ZINC001571218511 953115704 /nfs/dbraw/zinc/11/57/04/953115704.db2.gz ACMRHERKZZZZCQ-LLVKDONJSA-N 0 1 383.391 0.837 20 0 GCADMN CN(C(=O)c1cncc(F)c1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571218918 953120891 /nfs/dbraw/zinc/12/08/91/953120891.db2.gz GXJYGPRNPIYYHZ-UHFFFAOYSA-N 0 1 383.391 0.932 20 0 GCADMN COc1cc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1C ZINC001571222225 953132777 /nfs/dbraw/zinc/13/27/77/953132777.db2.gz AHPPRSVURFUMRK-XYPYZODXSA-N 0 1 383.416 0.046 20 0 GCADMN CC(C)c1oncc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222374 953133802 /nfs/dbraw/zinc/13/38/02/953133802.db2.gz HHAQSCYKNMEEAD-XYPYZODXSA-N 0 1 383.416 0.811 20 0 GCADMN C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CCN(C(=O)c2ccn[nH]2)CC1 ZINC001571222512 953135893 /nfs/dbraw/zinc/13/58/93/953135893.db2.gz HGFAMHJERRFGHX-JTQLQIEISA-N 0 1 383.416 0.589 20 0 GCADMN CCc1nc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571222592 953136711 /nfs/dbraw/zinc/13/67/11/953136711.db2.gz JSZYVKYNIZCHDO-PHIMTYICSA-N 0 1 383.416 0.558 20 0 GCADMN CCc1oncc1C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222708 953137514 /nfs/dbraw/zinc/13/75/14/953137514.db2.gz JSCZDAHFADOTIN-QGZVFWFLSA-N 0 1 383.416 0.593 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)Cc1ccn[nH]1 ZINC001571222789 953138703 /nfs/dbraw/zinc/13/87/03/953138703.db2.gz LDUREJBVUITOSR-GXTWGEPZSA-N 0 1 383.416 0.270 20 0 GCADMN CCc1nc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)co1 ZINC001571222899 953140060 /nfs/dbraw/zinc/14/00/60/953140060.db2.gz NBKZTCZQNMALEM-GHMZBOCLSA-N 0 1 383.416 0.449 20 0 GCADMN CCc1ocnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571223236 953142154 /nfs/dbraw/zinc/14/21/54/953142154.db2.gz QXTHCQUMLDDKBA-QWRGUYRKSA-N 0 1 383.416 0.994 20 0 GCADMN Cc1cc(CCC(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001571224949 953152184 /nfs/dbraw/zinc/15/21/84/953152184.db2.gz HCLFIXQJCUKCGP-LBPRGKRZSA-N 0 1 383.416 0.268 20 0 GCADMN Cc1nc(N[C@@H](C)[C@H]2CN(C(=O)c3ccn[nH]3)CCO2)ccc1-c1nn[nH]n1 ZINC001571225622 953153827 /nfs/dbraw/zinc/15/38/27/953153827.db2.gz LRUWSTGQEGDTRG-SMDDNHRTSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H](C)[C@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1 ZINC001571226632 953156870 /nfs/dbraw/zinc/15/68/70/953156870.db2.gz UHXRBFHRKYEYHQ-BXUZGUMPSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1ncc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)[nH]1 ZINC001571226988 953157462 /nfs/dbraw/zinc/15/74/62/953157462.db2.gz YJERIPJGHVRJBJ-BXKDBHETSA-N 0 1 383.416 0.649 20 0 GCADMN Cc1noc(CCC(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571226921 953157725 /nfs/dbraw/zinc/15/77/25/953157725.db2.gz XABQTICEQNCNIO-GFCCVEGCSA-N 0 1 383.416 0.411 20 0 GCADMN Cc1cnoc1C(=O)N[C@@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571227102 953158368 /nfs/dbraw/zinc/15/83/68/953158368.db2.gz YPKLOYGLPWQGMC-NWDGAFQWSA-N 0 1 383.416 0.988 20 0 GCADMN CCn1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1 ZINC001571227703 953158934 /nfs/dbraw/zinc/15/89/34/953158934.db2.gz AILXXWNRYKYPNG-MNOVXSKESA-N 0 1 383.420 0.055 20 0 GCADMN O=C(NC[C@H]1CCCCCN1C(=O)c1ccn[nH]1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571227976 953160523 /nfs/dbraw/zinc/16/05/23/953160523.db2.gz FMOAOFYHSKSQHK-LLVKDONJSA-N 0 1 383.416 0.733 20 0 GCADMN CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001571228089 953161441 /nfs/dbraw/zinc/16/14/41/953161441.db2.gz HWUOTKWPPOVXEK-SNVBAGLBSA-N 0 1 383.420 0.012 20 0 GCADMN Cc1nonc1CC(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571228072 953161565 /nfs/dbraw/zinc/16/15/65/953161565.db2.gz HMHDJTAVRMZCTQ-UHFFFAOYSA-N 0 1 383.416 0.411 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571228201 953163151 /nfs/dbraw/zinc/16/31/51/953163151.db2.gz KPKYESWTAYUKPS-GWCFXTLKSA-N 0 1 383.416 0.267 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571228258 953163193 /nfs/dbraw/zinc/16/31/93/953163193.db2.gz LXLLWBFGCSGSKT-GFCCVEGCSA-N 0 1 383.416 0.481 20 0 GCADMN Cn1nnc(NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC001571229222 953168770 /nfs/dbraw/zinc/16/87/70/953168770.db2.gz BEIYUESTKUVBNM-UHFFFAOYSA-N 0 1 383.420 0.130 20 0 GCADMN CN1C(=O)CC[C@@H]1C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571231014 953182583 /nfs/dbraw/zinc/18/25/83/953182583.db2.gz QEIYQYODTPPQTI-HZPDHXFCSA-N 0 1 383.456 0.568 20 0 GCADMN Cc1cc(NC[C@@H]2CN(C(=O)[C@@H]3CC34CC4)CCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232456 953187184 /nfs/dbraw/zinc/18/71/84/953187184.db2.gz GASHNZBOSBMREG-HIFRSBDPSA-N 0 1 383.456 0.822 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571232413 953187192 /nfs/dbraw/zinc/18/71/92/953187192.db2.gz FCXZCRKQFKJZDX-FIRUKDTASA-N 0 1 383.460 0.082 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571232413 953187193 /nfs/dbraw/zinc/18/71/93/953187193.db2.gz FCXZCRKQFKJZDX-FIRUKDTASA-N 0 1 383.460 0.082 20 0 GCADMN C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571232483 953187653 /nfs/dbraw/zinc/18/76/53/953187653.db2.gz GHXXAFBZGPFJST-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571232483 953187654 /nfs/dbraw/zinc/18/76/54/953187654.db2.gz GHXXAFBZGPFJST-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)C3=CCOCC3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232649 953188438 /nfs/dbraw/zinc/18/84/38/953188438.db2.gz IRCADPXVFMLIAY-LRDDRELGSA-N 0 1 383.456 0.988 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)C3=CCOCC3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232652 953188556 /nfs/dbraw/zinc/18/85/56/953188556.db2.gz IRCADPXVFMLIAY-MLGOLLRUSA-N 0 1 383.456 0.988 20 0 GCADMN O=C(CN1CCCC1=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571232870 953188949 /nfs/dbraw/zinc/18/89/49/953188949.db2.gz LPMMXXNIOVYDPA-MRXNPFEDSA-N 0 1 383.456 0.570 20 0 GCADMN Cc1cc(NCC2(O)CCN(C(=O)[C@H]3CC34CC4)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233100 953190490 /nfs/dbraw/zinc/19/04/90/953190490.db2.gz 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20 0 GCADMN CC[C@H]1CN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC[N@H+]1C[C@@H](C)O ZINC000829140010 601331864 /nfs/dbraw/zinc/33/18/64/601331864.db2.gz BQWSVBKMPNXSSQ-CJNGLKHVSA-N 0 1 392.456 0.810 20 0 GCADMN CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)CC1 ZINC000829005128 601332361 /nfs/dbraw/zinc/33/23/61/601332361.db2.gz VLHDNFKILCKYJC-INIZCTEOSA-N 0 1 392.456 0.350 20 0 GCADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000827350436 601338757 /nfs/dbraw/zinc/33/87/57/601338757.db2.gz ZCMPXPUCKOOAMK-GFCCVEGCSA-N 0 1 388.424 0.517 20 0 GCADMN CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC1 ZINC000826636701 601351497 /nfs/dbraw/zinc/35/14/97/601351497.db2.gz FGCFFYDLJJHWLR-UHFFFAOYSA-N 0 1 379.413 0.004 20 0 GCADMN C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)C[C@H]1C ZINC000827795920 601356887 /nfs/dbraw/zinc/35/68/87/601356887.db2.gz GPHFGVATRVHFPP-KGLIPLIRSA-N 0 1 377.441 0.556 20 0 GCADMN 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COC(=O)c1sc(NC(=O)C[NH2+]C2(C(N)=O)CCCC2)c(C(=O)[O-])c1C ZINC000831474691 601421985 /nfs/dbraw/zinc/42/19/85/601421985.db2.gz DHVATINIYWVXMC-UHFFFAOYSA-N 0 1 383.426 0.868 20 0 GCADMN CN(CC(=O)[O-])C(=O)CC[NH2+][C@@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000830692347 601424356 /nfs/dbraw/zinc/42/43/56/601424356.db2.gz LMZMRBOSJHSHJJ-OAHLLOKOSA-N 0 1 375.347 0.929 20 0 GCADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000829776169 601469650 /nfs/dbraw/zinc/46/96/50/601469650.db2.gz JAOBNVJKTJPVSZ-OAHLLOKOSA-N 0 1 390.484 0.642 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000818149327 601489686 /nfs/dbraw/zinc/48/96/86/601489686.db2.gz ZENCNYYRIDFBNN-ZFWWWQNUSA-N 0 1 377.441 0.556 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000818149327 601489687 /nfs/dbraw/zinc/48/96/87/601489687.db2.gz ZENCNYYRIDFBNN-ZFWWWQNUSA-N 0 1 377.441 0.556 20 0 GCADMN 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ZINC000827574680 601732616 /nfs/dbraw/zinc/73/26/16/601732616.db2.gz FAWUAHZEUMLZMJ-KBXCAEBGSA-N 0 1 382.482 0.903 20 0 GCADMN C[C@@H](CS(C)(=O)=O)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827574680 601732617 /nfs/dbraw/zinc/73/26/17/601732617.db2.gz FAWUAHZEUMLZMJ-KBXCAEBGSA-N 0 1 382.482 0.903 20 0 GCADMN O=C([O-])[C@]1(NC(=O)[C@H]2CCS(=O)(=O)C2)CCC[N@H+](Cc2ccccc2)C1 ZINC000833128574 601735091 /nfs/dbraw/zinc/73/50/91/601735091.db2.gz JFZDKUXEPKUMEH-YJBOKZPZSA-N 0 1 380.466 0.657 20 0 GCADMN O=C([O-])[C@]1(NC(=O)[C@H]2CCS(=O)(=O)C2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833128574 601735093 /nfs/dbraw/zinc/73/50/93/601735093.db2.gz JFZDKUXEPKUMEH-YJBOKZPZSA-N 0 1 380.466 0.657 20 0 GCADMN O=C([O-])C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCO1 ZINC000833218621 601768256 /nfs/dbraw/zinc/76/82/56/601768256.db2.gz QUPQDJSTPJTYFO-QGZVFWFLSA-N 0 1 377.441 0.904 20 0 GCADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000827461327 601776066 /nfs/dbraw/zinc/77/60/66/601776066.db2.gz UFWNYTRWYIYMHD-HZPDHXFCSA-N 0 1 391.472 0.477 20 0 GCADMN CCN1CCO[C@H](C(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000829781208 601776750 /nfs/dbraw/zinc/77/67/50/601776750.db2.gz RCGFIAMHSKIKJS-PXNSSMCTSA-N 0 1 375.469 0.943 20 0 GCADMN Cn1cc(C(N)=O)cc1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833043027 601777316 /nfs/dbraw/zinc/77/73/16/601777316.db2.gz XRXAJNUUGIOQIU-HXUWFJFHSA-N 0 1 384.436 0.973 20 0 GCADMN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833089910 601777328 /nfs/dbraw/zinc/77/73/28/601777328.db2.gz GIWACLQKTGAMJC-GOSISDBHSA-N 0 1 387.396 0.319 20 0 GCADMN C[C@@H](NS(C)(=O)=O)C(=O)N[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000827767561 601777807 /nfs/dbraw/zinc/77/78/07/601777807.db2.gz CXDARMQXSRMRAH-CXAGYDPISA-N 0 1 383.470 0.160 20 0 GCADMN N=C1NC(=O)C(CC(=O)N[C@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)S1 ZINC000833087519 601778316 /nfs/dbraw/zinc/77/83/16/601778316.db2.gz ANDWOARRBAOHRQ-FZKQIMNGSA-N 0 1 390.465 0.778 20 0 GCADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2Cc3ccccc3C[C@@H]2C(=O)[O-])C1 ZINC000826886180 601800308 /nfs/dbraw/zinc/80/03/08/601800308.db2.gz SYKQOQRVBSCLOE-RBUKOAKNSA-N 0 1 389.496 0.971 20 0 GCADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2Cc3ccccc3C[C@H]2C(=O)[O-])C1 ZINC000826886178 601800393 /nfs/dbraw/zinc/80/03/93/601800393.db2.gz SYKQOQRVBSCLOE-MOPGFXCFSA-N 0 1 389.496 0.971 20 0 GCADMN Cn1cnc2c1c(=O)n(CCC[N@H+]1Cc3ccccc3C[C@@H]1C(=O)[O-])c(=O)n2C ZINC000833058443 601800509 /nfs/dbraw/zinc/80/05/09/601800509.db2.gz WXMRJEXKKICJQF-OAHLLOKOSA-N 0 1 397.435 0.335 20 0 GCADMN CCOc1ccccc1N1C(=O)C(=O)N(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)C1=O ZINC000830109970 601812871 /nfs/dbraw/zinc/81/28/71/601812871.db2.gz UYYCRQOKCJZDGN-VXGBXAGGSA-N 0 1 375.381 0.991 20 0 GCADMN CCOc1ccccc1N1C(=O)C(=O)N(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)C1=O ZINC000830109970 601812873 /nfs/dbraw/zinc/81/28/73/601812873.db2.gz UYYCRQOKCJZDGN-VXGBXAGGSA-N 0 1 375.381 0.991 20 0 GCADMN C[C@@H]1C[N@@H+](CN2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2=O)C[C@@H]1C(=O)[O-] ZINC000828457862 601816445 /nfs/dbraw/zinc/81/64/45/601816445.db2.gz ZXGCPYLWYZQWTR-MCIONIFRSA-N 0 1 382.461 0.953 20 0 GCADMN O=C1C[C@H](N2CC[C@@H]([C@H]3CCOC3)C2)C(=O)N1c1ccc(-c2nn[nH]n2)cc1 ZINC000826479048 607530209 /nfs/dbraw/zinc/53/02/09/607530209.db2.gz PGEMXCCASCPRAJ-YCPHGPKFSA-N 0 1 382.424 0.857 20 0 GCADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000827356170 601863018 /nfs/dbraw/zinc/86/30/18/601863018.db2.gz QECJIEHLKWMNSE-JTQLQIEISA-N 0 1 391.350 0.391 20 0 GCADMN COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000832476094 601863810 /nfs/dbraw/zinc/86/38/10/601863810.db2.gz FJGIQRUETIKJDY-GFCCVEGCSA-N 0 1 397.453 0.468 20 0 GCADMN COC(=O)c1cccc(N2CC(=O)N(C[N@@H+]3C[C@H](C(=O)[O-])[C@H](C)C3)C2=O)c1 ZINC000831453471 601883363 /nfs/dbraw/zinc/88/33/63/601883363.db2.gz PWJOFOONOQKZLK-RISCZKNCSA-N 0 1 375.381 0.852 20 0 GCADMN 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CC[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820993690 607177347 /nfs/dbraw/zinc/17/73/47/607177347.db2.gz AILCDQSXNZIKBB-COXVUDFISA-N 0 1 385.472 0.436 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000822614584 607194856 /nfs/dbraw/zinc/19/48/56/607194856.db2.gz NZZPBLBKXWJHIR-KGLIPLIRSA-N 0 1 389.464 0.490 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000822614584 607194857 /nfs/dbraw/zinc/19/48/57/607194857.db2.gz NZZPBLBKXWJHIR-KGLIPLIRSA-N 0 1 389.464 0.490 20 0 GCADMN CC[NH+]1CCN(c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c(C)c2)CC1 ZINC000821276696 607205639 /nfs/dbraw/zinc/20/56/39/607205639.db2.gz MDCATBMLTZPAKS-UHFFFAOYSA-N 0 1 396.459 0.547 20 0 GCADMN COc1cccc([C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[NH+]2CCCC2)c1 ZINC000821857753 607205865 /nfs/dbraw/zinc/20/58/65/607205865.db2.gz AGMUKWWPTYWNPF-HNNXBMFYSA-N 0 1 397.443 0.420 20 0 GCADMN CC[NH+]1CCN(c2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821276686 607206487 /nfs/dbraw/zinc/20/64/87/607206487.db2.gz MBOIVJJGJZXTEP-UHFFFAOYSA-N 0 1 382.432 0.239 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000821572324 607207351 /nfs/dbraw/zinc/20/73/51/607207351.db2.gz ZWLFQPKOQVUBSU-UHFFFAOYSA-N 0 1 391.436 0.316 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000823136092 607207803 /nfs/dbraw/zinc/20/78/03/607207803.db2.gz JRQXPRDYQPMXMY-GFCCVEGCSA-N 0 1 383.372 0.214 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(OCc2ccccn2)cc1 ZINC000823131130 607209261 /nfs/dbraw/zinc/20/92/61/607209261.db2.gz CFNVGMAXPOMTAY-UHFFFAOYSA-N 0 1 391.395 0.749 20 0 GCADMN O=C(CCCNC(=O)Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Cl)cc1 ZINC000823131717 607209374 /nfs/dbraw/zinc/20/93/74/607209374.db2.gz MMQLVIBACNLBAQ-UHFFFAOYSA-N 0 1 389.807 0.647 20 0 GCADMN CC1CCN(C(=O)c2ccccc2NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000820715722 607209559 /nfs/dbraw/zinc/20/95/59/607209559.db2.gz DQZWLAUPFBCVEP-UHFFFAOYSA-N 0 1 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O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000823127156 607214653 /nfs/dbraw/zinc/21/46/53/607214653.db2.gz UYODYSUQQLAWBK-OAHLLOKOSA-N 0 1 381.444 0.139 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000823127156 607214654 /nfs/dbraw/zinc/21/46/54/607214654.db2.gz UYODYSUQQLAWBK-OAHLLOKOSA-N 0 1 381.444 0.139 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000823127156 607214655 /nfs/dbraw/zinc/21/46/55/607214655.db2.gz UYODYSUQQLAWBK-OAHLLOKOSA-N 0 1 381.444 0.139 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1ccc(Br)cc1F ZINC000823131936 607215509 /nfs/dbraw/zinc/21/55/09/607215509.db2.gz RHZMVRPKTVTZTI-UHFFFAOYSA-N 0 1 395.196 0.719 20 0 GCADMN CC(C)(C)OC(=O)NCC1(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCCC1 ZINC000819940368 607215782 /nfs/dbraw/zinc/21/57/82/607215782.db2.gz YULBLAPITNKZIC-UHFFFAOYSA-N 0 1 391.436 0.412 20 0 GCADMN CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000821154063 607216029 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O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000823487405 607219251 /nfs/dbraw/zinc/21/92/51/607219251.db2.gz CKASYJGIUVSPTO-LBPRGKRZSA-N 0 1 384.375 0.719 20 0 GCADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819939657 607219254 /nfs/dbraw/zinc/21/92/54/607219254.db2.gz HRCUJFUVAYGKNN-WDEREUQCSA-N 0 1 391.436 0.268 20 0 GCADMN CN(C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OC(C)(C)C ZINC000821596178 607220135 /nfs/dbraw/zinc/22/01/35/607220135.db2.gz BVOTYWOAWDHAOU-NSHDSACASA-N 0 1 391.436 0.316 20 0 GCADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc2)C1 ZINC000820722031 607220571 /nfs/dbraw/zinc/22/05/71/607220571.db2.gz CRORHBZVIWNNIY-ZDUSSCGKSA-N 0 1 397.443 0.818 20 0 GCADMN C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)C1 ZINC000820722031 607220572 /nfs/dbraw/zinc/22/05/72/607220572.db2.gz CRORHBZVIWNNIY-ZDUSSCGKSA-N 0 1 397.443 0.818 20 0 GCADMN C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)C1 ZINC000820722031 607220573 /nfs/dbraw/zinc/22/05/73/607220573.db2.gz CRORHBZVIWNNIY-ZDUSSCGKSA-N 0 1 397.443 0.818 20 0 GCADMN C[NH+](C)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000821579827 607220946 /nfs/dbraw/zinc/22/09/46/607220946.db2.gz PLTWZUGCFPMNAC-LBPRGKRZSA-N 0 1 375.824 0.531 20 0 GCADMN COc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1Br ZINC000821720030 607221321 /nfs/dbraw/zinc/22/13/21/607221321.db2.gz MHZUDWDVWHVRNZ-UHFFFAOYSA-N 0 1 379.178 0.868 20 0 GCADMN CCN(C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1)CC(F)(F)F ZINC000821197311 607221652 /nfs/dbraw/zinc/22/16/52/607221652.db2.gz ITGROUIFYPSSKE-JTQLQIEISA-N 0 1 387.370 0.191 20 0 GCADMN COc1cc(OC)cc(OCCCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821724352 607222302 /nfs/dbraw/zinc/22/23/02/607222302.db2.gz TVPCZAINHYHENR-UHFFFAOYSA-N 0 1 388.388 0.061 20 0 GCADMN CCOc1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1OC(F)F ZINC000821431599 607222727 /nfs/dbraw/zinc/22/27/27/607222727.db2.gz XCJADPZBIKMABM-UHFFFAOYSA-N 0 1 394.342 0.775 20 0 GCADMN COCCOCCN(Cc1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821693146 607223179 /nfs/dbraw/zinc/22/31/79/607223179.db2.gz UFNJHLGAVYOKRV-UHFFFAOYSA-N 0 1 386.416 0.150 20 0 GCADMN Cc1cc(-c2noc([C@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)ccc1F ZINC000822151248 607223868 /nfs/dbraw/zinc/22/38/68/607223868.db2.gz AEGRYCBBKFTHCB-VIFPVBQESA-N 0 1 398.362 0.833 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC000823126996 607224611 /nfs/dbraw/zinc/22/46/11/607224611.db2.gz QDAPJRKPBMUMGO-JTQLQIEISA-N 0 1 383.199 0.615 20 0 GCADMN C[C@@H](O)C[C@H]1CCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000824699299 607784565 /nfs/dbraw/zinc/78/45/65/607784565.db2.gz RHOYOGXMOABWBJ-UKRRQHHQSA-N 0 1 399.455 0.824 20 0 GCADMN C[C@@H](O)C[C@@H]1CCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000824699298 607784682 /nfs/dbraw/zinc/78/46/82/607784682.db2.gz RHOYOGXMOABWBJ-HIFRSBDPSA-N 0 1 399.455 0.824 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CS[C@@H]3CCO[C@@H]3C)CC2)o1 ZINC000826322835 607845529 /nfs/dbraw/zinc/84/55/29/607845529.db2.gz DDERPSQLDYKKAU-ZYHUDNBSSA-N 0 1 393.473 0.722 20 0 GCADMN CC(=O)N1CC[C@@H](CN(C)[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000823975159 607857825 /nfs/dbraw/zinc/85/78/25/607857825.db2.gz VFOUEOFYDLSGDI-JSGCOSHPSA-N 0 1 389.485 0.834 20 0 GCADMN O=S(=O)(NC[C@H](CO)Cc1ccco1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826489476 607906407 /nfs/dbraw/zinc/90/64/07/607906407.db2.gz QNRYOEWSADOCQT-SECBINFHSA-N 0 1 399.379 0.867 20 0 GCADMN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826328877 607910796 /nfs/dbraw/zinc/91/07/96/607910796.db2.gz IDYJNZDBPVNWQZ-ZDUSSCGKSA-N 0 1 392.427 0.808 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000826424847 607958859 /nfs/dbraw/zinc/95/88/59/607958859.db2.gz GKYAHVAZIZXJJS-UHFFFAOYSA-N 0 1 391.798 0.600 20 0 GCADMN CCOC(=O)C1=C(Cn2ccnc2-c2nn[nH]n2)NC(=O)N[C@@H]1c1ccccc1 ZINC000825498671 608012945 /nfs/dbraw/zinc/01/29/45/608012945.db2.gz ADOUTSGHPYEAOY-CQSZACIVSA-N 0 1 394.395 0.935 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)CCC(C)C)c1-c1nnn[n-]1 ZINC000826077643 608019678 /nfs/dbraw/zinc/01/96/78/608019678.db2.gz PDORDWBFEIDPHP-UHFFFAOYSA-N 0 1 377.453 0.233 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)CCC(C)C)c1-c1nn[n-]n1 ZINC000826077643 608019679 /nfs/dbraw/zinc/01/96/79/608019679.db2.gz PDORDWBFEIDPHP-UHFFFAOYSA-N 0 1 377.453 0.233 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCOC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826077811 608019973 /nfs/dbraw/zinc/01/99/73/608019973.db2.gz WSEMLSPVGWVXSJ-LLVKDONJSA-N 0 1 378.437 0.266 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCOC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826077811 608019974 /nfs/dbraw/zinc/01/99/74/608019974.db2.gz WSEMLSPVGWVXSJ-LLVKDONJSA-N 0 1 378.437 0.266 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CSCCS2)c1-c1nnn[n-]1 ZINC000826077480 608020608 /nfs/dbraw/zinc/02/06/08/608020608.db2.gz JKUUSIVRPGOKNF-VIFPVBQESA-N 0 1 382.519 0.919 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@H]2CSCCS2)c1-c1nn[n-]n1 ZINC000826077480 608020609 /nfs/dbraw/zinc/02/06/09/608020609.db2.gz JKUUSIVRPGOKNF-VIFPVBQESA-N 0 1 382.519 0.919 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1-c1nnn[n-]1 ZINC000826083369 608020811 /nfs/dbraw/zinc/02/08/11/608020811.db2.gz JUQAPMOHGWRYHN-UHFFFAOYSA-N 0 1 397.399 0.325 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1-c1nn[n-]n1 ZINC000826083369 608020812 /nfs/dbraw/zinc/02/08/12/608020812.db2.gz JUQAPMOHGWRYHN-UHFFFAOYSA-N 0 1 397.399 0.325 20 0 GCADMN CC[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)N1CCCC1=O ZINC000825039179 608020841 /nfs/dbraw/zinc/02/08/41/608020841.db2.gz NSUJUUZREODSMS-NSHDSACASA-N 0 1 375.437 0.081 20 0 GCADMN CC[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)N1CCCC1=O ZINC000825039179 608020842 /nfs/dbraw/zinc/02/08/42/608020842.db2.gz NSUJUUZREODSMS-NSHDSACASA-N 0 1 375.437 0.081 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C(=O)OC)c2)c1-c1nnn[n-]1 ZINC000826083807 608021070 /nfs/dbraw/zinc/02/10/70/608021070.db2.gz RHYQDHRANJJETL-UHFFFAOYSA-N 0 1 384.400 0.781 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(C(=O)OC)c2)c1-c1nn[n-]n1 ZINC000826083807 608021071 /nfs/dbraw/zinc/02/10/71/608021071.db2.gz RHYQDHRANJJETL-UHFFFAOYSA-N 0 1 384.400 0.781 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC000826073190 608021786 /nfs/dbraw/zinc/02/17/86/608021786.db2.gz IXGDWLIFZYTYRW-SECBINFHSA-N 0 1 377.453 0.231 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000826073190 608021787 /nfs/dbraw/zinc/02/17/87/608021787.db2.gz IXGDWLIFZYTYRW-SECBINFHSA-N 0 1 377.453 0.231 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(-c3ccccc3)nn2)c1-c1nnn[n-]1 ZINC000826082781 608022058 /nfs/dbraw/zinc/02/20/58/608022058.db2.gz ARGVAELMVYBRTC-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(-c3ccccc3)nn2)c1-c1nn[n-]n1 ZINC000826082781 608022059 /nfs/dbraw/zinc/02/20/59/608022059.db2.gz ARGVAELMVYBRTC-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)nnn3C)c1-c1nnn[n-]1 ZINC000826083069 608022321 /nfs/dbraw/zinc/02/23/21/608022321.db2.gz HWEGOYWLZKZYNQ-UHFFFAOYSA-N 0 1 381.404 0.276 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)nnn3C)c1-c1nn[n-]n1 ZINC000826083069 608022322 /nfs/dbraw/zinc/02/23/22/608022322.db2.gz HWEGOYWLZKZYNQ-UHFFFAOYSA-N 0 1 381.404 0.276 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COc1ccc(F)cc1 ZINC000825933282 608033956 /nfs/dbraw/zinc/03/39/56/608033956.db2.gz AMSOBTAQSLYHAY-LBPRGKRZSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COc1ccc(F)cc1 ZINC000825933282 608033957 /nfs/dbraw/zinc/03/39/57/608033957.db2.gz AMSOBTAQSLYHAY-LBPRGKRZSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COc1ccc(F)cc1 ZINC000825933282 608033958 /nfs/dbraw/zinc/03/39/58/608033958.db2.gz AMSOBTAQSLYHAY-LBPRGKRZSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COc1ccc(F)cc1 ZINC000825933282 608033959 /nfs/dbraw/zinc/03/39/59/608033959.db2.gz AMSOBTAQSLYHAY-LBPRGKRZSA-N 0 1 390.423 0.615 20 0 GCADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826432948 608075139 /nfs/dbraw/zinc/07/51/39/608075139.db2.gz QCSLOZRHRVQHLB-WMLDXEAASA-N 0 1 381.440 0.808 20 0 GCADMN CC(C)(C)OC(=O)N1CC(CN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824104758 608098639 /nfs/dbraw/zinc/09/86/39/608098639.db2.gz XUSBCQXRIOBCLJ-AWEZNQCLSA-N 0 1 387.444 0.850 20 0 GCADMN Cn1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1C(N)=O ZINC000826362028 608107979 /nfs/dbraw/zinc/10/79/79/608107979.db2.gz AHNZJEFKDIZFCR-UHFFFAOYSA-N 0 1 381.805 0.758 20 0 GCADMN CN(CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@@H]1CCSC1 ZINC000825892651 608119083 /nfs/dbraw/zinc/11/90/83/608119083.db2.gz RNQVLKMCLSVLBK-CQSZACIVSA-N 0 1 388.501 0.348 20 0 GCADMN CN(CC(=O)N1CCN(c2ccccc2-c2nn[nH]n2)CC1)[C@H]1CCSC1 ZINC000825892366 608121191 /nfs/dbraw/zinc/12/11/91/608121191.db2.gz LZCDFLUSJCEOQD-AWEZNQCLSA-N 0 1 387.513 0.953 20 0 GCADMN CC(C)(C)[C@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824071184 608192810 /nfs/dbraw/zinc/19/28/10/608192810.db2.gz GSOFDLVCCAXDHK-GFCCVEGCSA-N 0 1 375.433 0.788 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](O)c1c(F)cccc1Cl ZINC000824492445 608202309 /nfs/dbraw/zinc/20/23/09/608202309.db2.gz ZAGZPWYQPHFBCE-JMCQJSRRSA-N 0 1 380.771 0.489 20 0 GCADMN C[C@@H]1[C@H](C)N(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CCN1C ZINC000824860807 608202920 /nfs/dbraw/zinc/20/29/20/608202920.db2.gz XXCCOFVWZLYIEL-NEPJUHHUSA-N 0 1 381.444 0.799 20 0 GCADMN CCNS(=O)(=O)[C@@H]1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825476279 608210688 /nfs/dbraw/zinc/21/06/88/608210688.db2.gz DZBPXXWEBJHARI-OAHLLOKOSA-N 0 1 380.474 0.649 20 0 GCADMN CCNS(=O)(=O)[C@H]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825476801 608211049 /nfs/dbraw/zinc/21/10/49/608211049.db2.gz WWRPRPJMAPLJQB-AWEZNQCLSA-N 0 1 393.473 0.209 20 0 GCADMN O=C(CN1CCOCC1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826411187 608216578 /nfs/dbraw/zinc/21/65/78/608216578.db2.gz ODFPMPROUGQAPY-UHFFFAOYSA-N 0 1 385.472 0.233 20 0 GCADMN CCOC[C@H](O)CN1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000825589829 608226751 /nfs/dbraw/zinc/22/67/51/608226751.db2.gz JRRZHSQVASJOFP-MRXNPFEDSA-N 0 1 383.456 0.934 20 0 GCADMN O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)[C@]1(O)CCSC1 ZINC000826426668 608231368 /nfs/dbraw/zinc/23/13/68/608231368.db2.gz SWKDCVLFVGQSEY-INIZCTEOSA-N 0 1 391.457 0.249 20 0 GCADMN CNC(=O)[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826060747 608240104 /nfs/dbraw/zinc/24/01/04/608240104.db2.gz SCWXIOCEXTZRIW-LDYMZIIASA-N 0 1 386.384 0.338 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000826425332 608251036 /nfs/dbraw/zinc/25/10/36/608251036.db2.gz YJQFWQKGJUEKAH-OAHLLOKOSA-N 0 1 379.359 0.898 20 0 GCADMN C[C@@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824975938 608338903 /nfs/dbraw/zinc/33/89/03/608338903.db2.gz LMJRDVOKHCSKOY-MEBBXXQBSA-N 0 1 380.449 0.908 20 0 GCADMN C[C@@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824975821 608338941 /nfs/dbraw/zinc/33/89/41/608338941.db2.gz LMJRDVOKHCSKOY-BMIGLBTASA-N 0 1 380.449 0.908 20 0 GCADMN C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825848476 608340651 /nfs/dbraw/zinc/34/06/51/608340651.db2.gz DCFHYXSEYLEGDZ-UHFFFAOYSA-N 0 1 377.453 0.213 20 0 GCADMN C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825848476 608340653 /nfs/dbraw/zinc/34/06/53/608340653.db2.gz DCFHYXSEYLEGDZ-UHFFFAOYSA-N 0 1 377.453 0.213 20 0 GCADMN COC(=O)[C@@H](CC(F)F)NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826104233 608342671 /nfs/dbraw/zinc/34/26/71/608342671.db2.gz SEQAFSJDQVTEIY-SNVBAGLBSA-N 0 1 393.347 0.622 20 0 GCADMN C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824954446 608354855 /nfs/dbraw/zinc/35/48/55/608354855.db2.gz 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CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265927 945526446 /nfs/dbraw/zinc/52/64/46/945526446.db2.gz LAZCLFRNEQKWBD-OAHLLOKOSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265927 945526452 /nfs/dbraw/zinc/52/64/52/945526452.db2.gz LAZCLFRNEQKWBD-OAHLLOKOSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265927 945526457 /nfs/dbraw/zinc/52/64/57/945526457.db2.gz LAZCLFRNEQKWBD-OAHLLOKOSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265927 945526461 /nfs/dbraw/zinc/52/64/61/945526461.db2.gz LAZCLFRNEQKWBD-OAHLLOKOSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571266032 945528595 /nfs/dbraw/zinc/52/85/95/945528595.db2.gz UEOPSCYEKBNDTE-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001571266268 945535583 /nfs/dbraw/zinc/53/55/83/945535583.db2.gz OOSZVOIVNZMFEZ-AWEZNQCLSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(C(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001571266268 945535592 /nfs/dbraw/zinc/53/55/92/945535592.db2.gz OOSZVOIVNZMFEZ-AWEZNQCLSA-N 0 1 385.476 0.474 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001571266315 945536914 /nfs/dbraw/zinc/53/69/14/945536914.db2.gz ZDAQMPOLRRDSNK-AWEZNQCLSA-N 0 1 385.476 0.392 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CCC[C@H]2CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001571266315 945536920 /nfs/dbraw/zinc/53/69/20/945536920.db2.gz ZDAQMPOLRRDSNK-AWEZNQCLSA-N 0 1 385.476 0.392 20 0 GCADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(Cl)cn1 ZINC001571266249 945537528 /nfs/dbraw/zinc/53/75/28/945537528.db2.gz YJNRKMUZAGDYIN-UHFFFAOYSA-N 0 1 385.819 0.748 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266323 945539538 /nfs/dbraw/zinc/53/95/38/945539538.db2.gz ZKDNHKZJDPGTGF-KBPBESRZSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266323 945539542 /nfs/dbraw/zinc/53/95/42/945539542.db2.gz ZKDNHKZJDPGTGF-KBPBESRZSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266323 945539547 /nfs/dbraw/zinc/53/95/47/945539547.db2.gz ZKDNHKZJDPGTGF-KBPBESRZSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266323 945539550 /nfs/dbraw/zinc/53/95/50/945539550.db2.gz ZKDNHKZJDPGTGF-KBPBESRZSA-N 0 1 385.476 0.567 20 0 GCADMN C[NH+]1CCC(C(=O)NC2(C)CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001571266460 945540821 /nfs/dbraw/zinc/54/08/21/945540821.db2.gz RBGZJLCYGMXLBC-UHFFFAOYSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(C(=O)NC2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001571266460 945540825 /nfs/dbraw/zinc/54/08/25/945540825.db2.gz RBGZJLCYGMXLBC-UHFFFAOYSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571266416 945541262 /nfs/dbraw/zinc/54/12/62/945541262.db2.gz QGIXERNQYQWBQF-KGLIPLIRSA-N 0 1 385.476 0.838 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571266416 945541272 /nfs/dbraw/zinc/54/12/72/945541272.db2.gz QGIXERNQYQWBQF-KGLIPLIRSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001571266459 945542613 /nfs/dbraw/zinc/54/26/13/945542613.db2.gz QZFDZWNHHKSFCP-XJKSGUPXSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001571266459 945542622 /nfs/dbraw/zinc/54/26/22/945542622.db2.gz QZFDZWNHHKSFCP-XJKSGUPXSA-N 0 1 385.476 0.790 20 0 GCADMN CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571266506 945544685 /nfs/dbraw/zinc/54/46/85/945544685.db2.gz SGUXJUHERADCLJ-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001571266548 945544951 /nfs/dbraw/zinc/54/49/51/945544951.db2.gz TYDTYHBAWZHMFM-ZFWWWQNUSA-N 0 1 385.476 0.568 20 0 GCADMN CN(C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001571266548 945544960 /nfs/dbraw/zinc/54/49/60/945544960.db2.gz TYDTYHBAWZHMFM-ZFWWWQNUSA-N 0 1 385.476 0.568 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC[N@@H+]1C ZINC001571266501 945545661 /nfs/dbraw/zinc/54/56/61/945545661.db2.gz SCQKKXXOPWIPHS-VNHYZAJKSA-N 0 1 385.476 0.472 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)C2)CC[N@H+]1C ZINC001571266501 945545665 /nfs/dbraw/zinc/54/56/65/945545665.db2.gz SCQKKXXOPWIPHS-VNHYZAJKSA-N 0 1 385.476 0.472 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC[N@@H+]1C ZINC001571266501 945545672 /nfs/dbraw/zinc/54/56/72/945545672.db2.gz SCQKKXXOPWIPHS-VNHYZAJKSA-N 0 1 385.476 0.472 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC[N@H+]1C ZINC001571266501 945545680 /nfs/dbraw/zinc/54/56/80/945545680.db2.gz SCQKKXXOPWIPHS-VNHYZAJKSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571266523 945545891 /nfs/dbraw/zinc/54/58/91/945545891.db2.gz SXDIXIVDFXUQJY-KGLIPLIRSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571266523 945545897 /nfs/dbraw/zinc/54/58/97/945545897.db2.gz SXDIXIVDFXUQJY-KGLIPLIRSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571266591 945547202 /nfs/dbraw/zinc/54/72/02/945547202.db2.gz UVTKRDNXLGLBQZ-OCCSQVGLSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571266591 945547213 /nfs/dbraw/zinc/54/72/13/945547213.db2.gz UVTKRDNXLGLBQZ-OCCSQVGLSA-N 0 1 385.476 0.505 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266607 945547327 /nfs/dbraw/zinc/54/73/27/945547327.db2.gz VGLWPFUQKQAIJA-IGQOVBAYSA-N 0 1 385.476 0.258 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266581 945547920 /nfs/dbraw/zinc/54/79/20/945547920.db2.gz ULEPPGDRYKULGI-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266581 945547928 /nfs/dbraw/zinc/54/79/28/945547928.db2.gz ULEPPGDRYKULGI-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266581 945547934 /nfs/dbraw/zinc/54/79/34/945547934.db2.gz ULEPPGDRYKULGI-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266581 945547938 /nfs/dbraw/zinc/54/79/38/945547938.db2.gz ULEPPGDRYKULGI-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266579 945548081 /nfs/dbraw/zinc/54/80/81/945548081.db2.gz ULEPPGDRYKULGI-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266579 945548088 /nfs/dbraw/zinc/54/80/88/945548088.db2.gz ULEPPGDRYKULGI-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266579 945548092 /nfs/dbraw/zinc/54/80/92/945548092.db2.gz ULEPPGDRYKULGI-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266579 945548098 /nfs/dbraw/zinc/54/80/98/945548098.db2.gz ULEPPGDRYKULGI-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1C[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)CN1C(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571268189 945590103 /nfs/dbraw/zinc/59/01/03/945590103.db2.gz CELNIYQYVUMTRZ-ZMIOHVKTSA-N 0 1 386.431 0.977 20 0 GCADMN Cc1cc(N2C[C@@H](NC(=O)[C@H]3COC(=O)N3)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571268387 945594498 /nfs/dbraw/zinc/59/44/98/945594498.db2.gz FPGPGDXZHFAISM-DGCLKSJQSA-N 0 1 386.416 0.010 20 0 GCADMN C[C@@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(F)c(-c5nn[nH]n5)c4)C[C@H]32)CCOC1 ZINC001571268733 945604168 /nfs/dbraw/zinc/60/41/68/945604168.db2.gz JCGLHVZBDQENLS-PGSNGQOISA-N 0 1 386.431 0.979 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571269814 945625575 /nfs/dbraw/zinc/62/55/75/945625575.db2.gz DGZOKYHGTXPIJN-BXKDBHETSA-N 0 1 386.441 0.674 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571269814 945625582 /nfs/dbraw/zinc/62/55/82/945625582.db2.gz DGZOKYHGTXPIJN-BXKDBHETSA-N 0 1 386.441 0.674 20 0 GCADMN Cc1cc(N2CCOC[C@H]2CNC(=O)c2cncs2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571270088 945631147 /nfs/dbraw/zinc/63/11/47/945631147.db2.gz MVQUBWXQEGPLTB-LLVKDONJSA-N 0 1 386.441 0.662 20 0 GCADMN C[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571270247 945632755 /nfs/dbraw/zinc/63/27/55/945632755.db2.gz OCBZNELZRNBMAL-ZJUUUORDSA-N 0 1 386.445 0.140 20 0 GCADMN C[C@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571270246 945632874 /nfs/dbraw/zinc/63/28/74/945632874.db2.gz OCBZNELZRNBMAL-VHSXEESVSA-N 0 1 386.445 0.140 20 0 GCADMN Cc1cc(C)c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)s1 ZINC001571270261 945633611 /nfs/dbraw/zinc/63/36/11/945633611.db2.gz OLSIBASIAYVOTN-MNOVXSKESA-N 0 1 386.441 0.315 20 0 GCADMN COc1cc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)sn1 ZINC001571270366 945634622 /nfs/dbraw/zinc/63/46/22/945634622.db2.gz RKWCVBAWSXDNJR-MGCOHNPYSA-N 0 1 386.441 0.769 20 0 GCADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1c[nH]c(=O)cn1 ZINC001571270340 945635215 /nfs/dbraw/zinc/63/52/15/945635215.db2.gz QORWDFCVDUXWFU-ZJUUUORDSA-N 0 1 386.441 0.404 20 0 GCADMN C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1c[nH]c(=O)cn1 ZINC001571270340 945635221 /nfs/dbraw/zinc/63/52/21/945635221.db2.gz QORWDFCVDUXWFU-ZJUUUORDSA-N 0 1 386.441 0.404 20 0 GCADMN COc1ccsc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001571270505 945637059 /nfs/dbraw/zinc/63/70/59/945637059.db2.gz UIOPDPOISSXVCJ-UWVGGRQHSA-N 0 1 386.441 0.864 20 0 GCADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccc(=O)[nH]n1 ZINC001571270584 945639561 /nfs/dbraw/zinc/63/95/61/945639561.db2.gz VYWCNHXBRKKPAP-JTQLQIEISA-N 0 1 386.441 0.676 20 0 GCADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)c1ccc(=O)[nH]n1 ZINC001571270584 945639565 /nfs/dbraw/zinc/63/95/65/945639565.db2.gz VYWCNHXBRKKPAP-JTQLQIEISA-N 0 1 386.441 0.676 20 0 GCADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccc(=O)[nH]n1 ZINC001571270584 945639568 /nfs/dbraw/zinc/63/95/68/945639568.db2.gz VYWCNHXBRKKPAP-JTQLQIEISA-N 0 1 386.441 0.676 20 0 GCADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)c1ccc(=O)[nH]n1 ZINC001571270584 945639573 /nfs/dbraw/zinc/63/95/73/945639573.db2.gz VYWCNHXBRKKPAP-JTQLQIEISA-N 0 1 386.441 0.676 20 0 GCADMN C[C@H]1CN(C(=O)c2cnsn2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571270684 945640351 /nfs/dbraw/zinc/64/03/51/945640351.db2.gz YWJQLHCXIRGCCO-UWVGGRQHSA-N 0 1 386.445 0.140 20 0 GCADMN CN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C(C)(C)C1 ZINC001571272446 945663350 /nfs/dbraw/zinc/66/33/50/945663350.db2.gz DWPYDZJFSUIMOX-ZIAGYGMSSA-N 0 1 386.460 0.256 20 0 GCADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCOCC1 ZINC001571272635 945667225 /nfs/dbraw/zinc/66/72/25/945667225.db2.gz GRMYRGBKEIUMBS-AWEZNQCLSA-N 0 1 386.460 0.806 20 0 GCADMN CO[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571273004 945678144 /nfs/dbraw/zinc/67/81/44/945678144.db2.gz MUUUWOIBHHVKIX-SYQHCUMBSA-N 0 1 386.460 0.591 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CCCCN2C)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571273093 945680477 /nfs/dbraw/zinc/68/04/77/945680477.db2.gz OYZQCSQGMDCEOK-TYNCELHUSA-N 0 1 386.460 0.398 20 0 GCADMN CN1CCCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571273225 945681586 /nfs/dbraw/zinc/68/15/86/945681586.db2.gz SUUPVVRBEOORIZ-WFASDCNBSA-N 0 1 386.460 0.257 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)[C@@]2(C)CCCOC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571273202 945682208 /nfs/dbraw/zinc/68/22/08/945682208.db2.gz SLYVZXBUXKSGRC-UGSOOPFHSA-N 0 1 386.460 0.758 20 0 GCADMN CN1CCC[C@H](N2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C(C)(C)C2)C1=O ZINC001571273302 945683051 /nfs/dbraw/zinc/68/30/51/945683051.db2.gz VCVWLGKTPAHSJW-KBPBESRZSA-N 0 1 386.460 0.256 20 0 GCADMN O=C(CC1CCOCC1)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571273462 945687712 /nfs/dbraw/zinc/68/77/12/945687712.db2.gz XWJIYSMTDRSWHC-KBPBESRZSA-N 0 1 386.460 0.592 20 0 GCADMN CN(C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CCCNC1=O ZINC001571273454 945688590 /nfs/dbraw/zinc/68/85/90/945688590.db2.gz XSHQKYWQMMUIHG-SWLSCSKDSA-N 0 1 386.460 0.400 20 0 GCADMN 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20 0 GCADMN O=C([C@@H]1CCC(=O)N1)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC001571281005 945794240 /nfs/dbraw/zinc/79/42/40/945794240.db2.gz BHCMANWZFGAIMR-LBPRGKRZSA-N 0 1 387.469 0.241 20 0 GCADMN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001571280020 945794258 /nfs/dbraw/zinc/79/42/58/945794258.db2.gz ZQNUHYVKSBMZKB-DYEKYZERSA-N 0 1 386.460 0.543 20 0 GCADMN CC[C@@H](OC)C(=O)N1CCC2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571280015 945795674 /nfs/dbraw/zinc/79/56/74/945795674.db2.gz ZOLKVCKDVUDBSG-CYBMUJFWSA-N 0 1 386.460 0.901 20 0 GCADMN CCn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571281358 945803216 /nfs/dbraw/zinc/80/32/16/945803216.db2.gz GYFCGTCRXMBWRO-NSHDSACASA-N 0 1 387.473 0.792 20 0 GCADMN CCn1ncc(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571281358 945803223 /nfs/dbraw/zinc/80/32/23/945803223.db2.gz GYFCGTCRXMBWRO-NSHDSACASA-N 0 1 387.473 0.792 20 0 GCADMN CCn1ncc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571281661 945810254 /nfs/dbraw/zinc/81/02/54/945810254.db2.gz LAGYFWBLLSXXBU-UHFFFAOYSA-N 0 1 387.473 0.932 20 0 GCADMN CCn1ncc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571281661 945810265 /nfs/dbraw/zinc/81/02/65/945810265.db2.gz LAGYFWBLLSXXBU-UHFFFAOYSA-N 0 1 387.473 0.932 20 0 GCADMN O=C(CC1OCCCO1)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571281873 945815750 /nfs/dbraw/zinc/81/57/50/945815750.db2.gz BHUZWKSFQBLUDJ-ZDUSSCGKSA-N 0 1 387.444 0.630 20 0 GCADMN Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)n1 ZINC001571281839 945818394 /nfs/dbraw/zinc/81/83/94/945818394.db2.gz OUVYRIYMSOQSTC-NSHDSACASA-N 0 1 387.473 0.699 20 0 GCADMN Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571281839 945818399 /nfs/dbraw/zinc/81/83/99/945818399.db2.gz OUVYRIYMSOQSTC-NSHDSACASA-N 0 1 387.473 0.699 20 0 GCADMN Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571281839 945818410 /nfs/dbraw/zinc/81/84/10/945818410.db2.gz OUVYRIYMSOQSTC-NSHDSACASA-N 0 1 387.473 0.699 20 0 GCADMN Cn1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571281839 945818420 /nfs/dbraw/zinc/81/84/20/945818420.db2.gz OUVYRIYMSOQSTC-NSHDSACASA-N 0 1 387.473 0.699 20 0 GCADMN Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571281839 945818429 /nfs/dbraw/zinc/81/84/29/945818429.db2.gz OUVYRIYMSOQSTC-NSHDSACASA-N 0 1 387.473 0.699 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001571282005 945822970 /nfs/dbraw/zinc/82/29/70/945822970.db2.gz QYUCBWMNOBZOFX-VXGBXAGGSA-N 0 1 387.473 0.814 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001571282005 945822978 /nfs/dbraw/zinc/82/29/78/945822978.db2.gz QYUCBWMNOBZOFX-VXGBXAGGSA-N 0 1 387.473 0.814 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001571282004 945824542 /nfs/dbraw/zinc/82/45/42/945824542.db2.gz QYUCBWMNOBZOFX-RYUDHWBXSA-N 0 1 387.473 0.814 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001571282004 945824559 /nfs/dbraw/zinc/82/45/59/945824559.db2.gz QYUCBWMNOBZOFX-RYUDHWBXSA-N 0 1 387.473 0.814 20 0 GCADMN Cn1cnc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571282176 945832527 /nfs/dbraw/zinc/83/25/27/945832527.db2.gz SZFBNGIYVCJSQN-WDEREUQCSA-N 0 1 387.473 0.745 20 0 GCADMN Cn1cnc(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571282176 945832537 /nfs/dbraw/zinc/83/25/37/945832537.db2.gz SZFBNGIYVCJSQN-WDEREUQCSA-N 0 1 387.473 0.745 20 0 GCADMN Cn1cnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001571282213 945835836 /nfs/dbraw/zinc/83/58/36/945835836.db2.gz UXBDVVCVTJQIOK-NSHDSACASA-N 0 1 387.473 0.841 20 0 GCADMN Cn1cnc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001571282213 945835852 /nfs/dbraw/zinc/83/58/52/945835852.db2.gz UXBDVVCVTJQIOK-NSHDSACASA-N 0 1 387.473 0.841 20 0 GCADMN Cc1c(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)nnn1C ZINC001571282382 945842134 /nfs/dbraw/zinc/84/21/34/945842134.db2.gz WXLFRBPQEWZESD-XYPYZODXSA-N 0 1 387.473 0.663 20 0 GCADMN Cc1c(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)nnn1C ZINC001571282382 945842147 /nfs/dbraw/zinc/84/21/47/945842147.db2.gz WXLFRBPQEWZESD-XYPYZODXSA-N 0 1 387.473 0.663 20 0 GCADMN Cn1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)nn1 ZINC001571282484 945847557 /nfs/dbraw/zinc/84/75/57/945847557.db2.gz ZVDJDKADCGUOQH-NSHDSACASA-N 0 1 387.473 0.841 20 0 GCADMN Cn1cc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)nn1 ZINC001571282484 945847573 /nfs/dbraw/zinc/84/75/73/945847573.db2.gz ZVDJDKADCGUOQH-NSHDSACASA-N 0 1 387.473 0.841 20 0 GCADMN CC(=O)N[C@](C)(C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)C(C)C ZINC001573452379 945849749 /nfs/dbraw/zinc/84/97/49/945849749.db2.gz DITFSKYQJSIRRP-KRWDZBQOSA-N 0 1 386.460 0.295 20 0 GCADMN CC(=O)N[C@](C)(C(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1)C(C)C ZINC001573452519 945852177 /nfs/dbraw/zinc/85/21/77/945852177.db2.gz GPXJNZYIVFTWMU-SGTLLEGYSA-N 0 1 388.476 0.753 20 0 GCADMN Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC001571282711 945856899 /nfs/dbraw/zinc/85/68/99/945856899.db2.gz OHXBYGHGDSPCEA-KWCYVHTRSA-N 0 1 387.444 0.599 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573453250 945858153 /nfs/dbraw/zinc/85/81/53/945858153.db2.gz KDEPKWSNTFHHJO-KPZWWZAWSA-N 0 1 388.476 0.493 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001573453591 945862764 /nfs/dbraw/zinc/86/27/64/945862764.db2.gz MPCIWVLPBDWTCO-APPDUMDISA-N 0 1 389.464 0.148 20 0 GCADMN O=C(NC[C@H]1CCC2(CN(C[C@@H]3CCOC3)C2)O1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283000 945872389 /nfs/dbraw/zinc/87/23/89/945872389.db2.gz XTGUKCHTHMVEHZ-GXTWGEPZSA-N 0 1 387.444 0.195 20 0 GCADMN O=C(NC[C@H]1CCC2(CN(C[C@H]3CCOC3)C2)O1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571283003 945873665 /nfs/dbraw/zinc/87/36/65/945873665.db2.gz XTGUKCHTHMVEHZ-TZMCWYRMSA-N 0 1 387.444 0.195 20 0 GCADMN CC(C)[C@H](C(=O)N1CCC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[NH+](C)C ZINC001571283149 945875410 /nfs/dbraw/zinc/87/54/10/945875410.db2.gz ACNJVLKGDWKFKH-XJKSGUPXSA-N 0 1 387.492 0.893 20 0 GCADMN CC[C@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)[NH+](C)C ZINC001571283180 945880309 /nfs/dbraw/zinc/88/03/09/945880309.db2.gz AZPAQUHQOIRCEV-UKRRQHHQSA-N 0 1 387.492 0.672 20 0 GCADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cc(Cl)n(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571283328 945884167 /nfs/dbraw/zinc/88/41/67/945884167.db2.gz CQSZFNMHBGGRPT-AOOOYVTPSA-N 0 1 387.835 0.752 20 0 GCADMN CC(C)[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)[NH+](C)C ZINC001571283698 945888550 /nfs/dbraw/zinc/88/85/50/945888550.db2.gz HDTSWFKMNMKNFI-BBRMVZONSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[C@@H](C(=O)N1CC[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)[NH+](C)C ZINC001571283698 945888563 /nfs/dbraw/zinc/88/85/63/945888563.db2.gz HDTSWFKMNMKNFI-BBRMVZONSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[C@H](C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1)[NH+](C)C ZINC001571284231 945896799 /nfs/dbraw/zinc/89/67/99/945896799.db2.gz NVOAHHVPPFOXNF-MRXNPFEDSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[C@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[NH+](C)C ZINC001571284112 945896988 /nfs/dbraw/zinc/89/69/88/945896988.db2.gz LORLSXBTLSBCPL-CQSZACIVSA-N 0 1 387.492 0.458 20 0 GCADMN CCc1nc(N[C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571284192 945897283 /nfs/dbraw/zinc/89/72/83/945897283.db2.gz MNASTFYIIOIWKM-LRDDRELGSA-N 0 1 387.492 0.818 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571284197 945897679 /nfs/dbraw/zinc/89/76/79/945897679.db2.gz MNASTFYIIOIWKM-WBMJQRKESA-N 0 1 387.492 0.818 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573456614 945897637 /nfs/dbraw/zinc/89/76/37/945897637.db2.gz NCEDFFLMRBXUGV-SNVBAGLBSA-N 0 1 379.490 0.779 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573456614 945897645 /nfs/dbraw/zinc/89/76/45/945897645.db2.gz NCEDFFLMRBXUGV-SNVBAGLBSA-N 0 1 379.490 0.779 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N(C)[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)n1 ZINC001571284417 945900602 /nfs/dbraw/zinc/90/06/02/945900602.db2.gz QERNXFNGAKWUSN-TZMCWYRMSA-N 0 1 387.492 0.596 20 0 GCADMN Cc1cc(N2CC[C@@H](NC(=O)c3c(Cl)cnn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571284423 945903531 /nfs/dbraw/zinc/90/35/31/945903531.db2.gz QIBXRRXISVVAEV-SNVBAGLBSA-N 0 1 387.835 0.966 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573458832 945908214 /nfs/dbraw/zinc/90/82/14/945908214.db2.gz ADWFFRXWRBUPRO-UHFFFAOYSA-N 0 1 386.460 0.524 20 0 GCADMN Cn1cc(Cl)cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571285335 945913004 /nfs/dbraw/zinc/91/30/04/945913004.db2.gz BHESNECCFPSEBY-SNVBAGLBSA-N 0 1 387.835 0.645 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573460897 945919552 /nfs/dbraw/zinc/91/95/52/945919552.db2.gz NGHDDZVTHDDBAJ-UHFFFAOYSA-N 0 1 385.472 0.816 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573461833 945922013 /nfs/dbraw/zinc/92/20/13/945922013.db2.gz RAUWXIUGIPTJDH-ZDUSSCGKSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573461833 945922018 /nfs/dbraw/zinc/92/20/18/945922018.db2.gz RAUWXIUGIPTJDH-ZDUSSCGKSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573461662 945922121 /nfs/dbraw/zinc/92/21/21/945922121.db2.gz RAUWXIUGIPTJDH-CYBMUJFWSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573461662 945922126 /nfs/dbraw/zinc/92/21/26/945922126.db2.gz RAUWXIUGIPTJDH-CYBMUJFWSA-N 0 1 391.501 0.827 20 0 GCADMN O=C(C[C@@H]1COC(=O)C1)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571285847 945931020 /nfs/dbraw/zinc/93/10/20/945931020.db2.gz PPNOZMDZXRKHHN-SMDDNHRTSA-N 0 1 388.403 0.650 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573462233 945933850 /nfs/dbraw/zinc/93/38/50/945933850.db2.gz DBSWAYWBPUNPTR-ZDUSSCGKSA-N 0 1 386.460 0.509 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1 ZINC001573463879 945961622 /nfs/dbraw/zinc/96/16/22/945961622.db2.gz CMAIPBIVDNDRDE-UHFFFAOYSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573464565 945966699 /nfs/dbraw/zinc/96/66/99/945966699.db2.gz MSESKSKLORBCPE-UHFFFAOYSA-N 0 1 386.460 0.297 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573467279 945977355 /nfs/dbraw/zinc/97/73/55/945977355.db2.gz AWZRYEJOYGKCAA-IAQYHMDHSA-N 0 1 389.435 0.563 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)CC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573467589 945982095 /nfs/dbraw/zinc/98/20/95/945982095.db2.gz FQMVBYHQVDCPKY-SWLSCSKDSA-N 0 1 388.476 0.493 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573467812 945985698 /nfs/dbraw/zinc/98/56/98/945985698.db2.gz IOKRSXJCIWJLOG-NSHDSACASA-N 0 1 377.424 0.421 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573467938 945985807 /nfs/dbraw/zinc/98/58/07/945985807.db2.gz JLLBIMJCXKPGSX-IINYFYTJSA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573467938 945985818 /nfs/dbraw/zinc/98/58/18/945985818.db2.gz JLLBIMJCXKPGSX-IINYFYTJSA-N 0 1 391.501 0.779 20 0 GCADMN CC[C@@H](CN1CC(N2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)C1)OC ZINC001571289354 946005379 /nfs/dbraw/zinc/00/53/79/946005379.db2.gz AIDFCKZGQHMHTC-AWEZNQCLSA-N 0 1 388.476 0.062 20 0 GCADMN Cc1nsc(N[C@H]2C[C@@H](C)N(C(=O)CCc3nc[nH]n3)C2)c1-c1nn[nH]n1 ZINC001571289390 946005483 /nfs/dbraw/zinc/00/54/83/946005483.db2.gz BMQLNIBYCSVMAX-SCZZXKLOSA-N 0 1 388.461 0.784 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573470063 946016095 /nfs/dbraw/zinc/01/60/95/946016095.db2.gz AYGJZUSDEICGRQ-WCQYABFASA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573470063 946016103 /nfs/dbraw/zinc/01/61/03/946016103.db2.gz AYGJZUSDEICGRQ-WCQYABFASA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573470063 946016109 /nfs/dbraw/zinc/01/61/09/946016109.db2.gz AYGJZUSDEICGRQ-WCQYABFASA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573470063 946016117 /nfs/dbraw/zinc/01/61/17/946016117.db2.gz AYGJZUSDEICGRQ-WCQYABFASA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573470374 946021765 /nfs/dbraw/zinc/02/17/65/946021765.db2.gz DHEZOIUJVIBBQK-TZMCWYRMSA-N 0 1 386.460 0.249 20 0 GCADMN Cc1nnc(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)o1 ZINC001571290171 946031057 /nfs/dbraw/zinc/03/10/57/946031057.db2.gz WTQIZEUQIDKNDA-NSHDSACASA-N 0 1 388.457 0.943 20 0 GCADMN Cc1nnc(CC(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)o1 ZINC001571290171 946031071 /nfs/dbraw/zinc/03/10/71/946031071.db2.gz WTQIZEUQIDKNDA-NSHDSACASA-N 0 1 388.457 0.943 20 0 GCADMN Cn1nnc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001571290145 946031289 /nfs/dbraw/zinc/03/12/89/946031289.db2.gz VZGXATKBONGJPQ-MWLCHTKSSA-N 0 1 388.461 0.140 20 0 GCADMN Cn1nnc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001571290145 946031300 /nfs/dbraw/zinc/03/13/00/946031300.db2.gz VZGXATKBONGJPQ-MWLCHTKSSA-N 0 1 388.461 0.140 20 0 GCADMN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCCN2C)c1-c1nn[nH]n1 ZINC001571290330 946038970 /nfs/dbraw/zinc/03/89/70/946038970.db2.gz ASVGKTBQNRYXJM-CZXHOFHRSA-N 0 1 388.501 0.667 20 0 GCADMN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CCCCN2C)c1-c1nn[nH]n1 ZINC001571290331 946039682 /nfs/dbraw/zinc/03/96/82/946039682.db2.gz ASVGKTBQNRYXJM-KZVDOYCCSA-N 0 1 388.501 0.667 20 0 GCADMN CCn1ncc(Cl)c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571290570 946048166 /nfs/dbraw/zinc/04/81/66/946048166.db2.gz IZMGORQXINQYPN-SECBINFHSA-N 0 1 388.823 0.275 20 0 GCADMN Cn1nc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1Cl ZINC001571290636 946052198 /nfs/dbraw/zinc/05/21/98/946052198.db2.gz KORDXRMOCXOJPE-DTORHVGOSA-N 0 1 388.823 0.086 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573471860 946057985 /nfs/dbraw/zinc/05/79/85/946057985.db2.gz RSPRGUKUNUEAHI-OCCSQVGLSA-N 0 1 386.460 0.522 20 0 GCADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cn(C)nc1Cl ZINC001571290919 946058847 /nfs/dbraw/zinc/05/88/47/946058847.db2.gz UTNCNZJTJFBXJJ-PSASIEDQSA-N 0 1 388.823 0.298 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472354 946065535 /nfs/dbraw/zinc/06/55/35/946065535.db2.gz VRRXGZOKKJNOTO-CMPLNLGQSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472354 946065544 /nfs/dbraw/zinc/06/55/44/946065544.db2.gz VRRXGZOKKJNOTO-CMPLNLGQSA-N 0 1 377.474 0.486 20 0 GCADMN CC1(NC(=O)c2cnn[nH]2)CCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1 ZINC001571291056 946066803 /nfs/dbraw/zinc/06/68/03/946066803.db2.gz ZVDCOLPLLMNJCL-UHFFFAOYSA-N 0 1 388.823 0.822 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573472641 946066940 /nfs/dbraw/zinc/06/69/40/946066940.db2.gz WTYACLXEFJOKDP-ZYHUDNBSSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573472641 946066952 /nfs/dbraw/zinc/06/69/52/946066952.db2.gz WTYACLXEFJOKDP-ZYHUDNBSSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472665 946067217 /nfs/dbraw/zinc/06/72/17/946067217.db2.gz XCFCZWGYQXZXLO-YPMHNXCESA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573472665 946067231 /nfs/dbraw/zinc/06/72/31/946067231.db2.gz XCFCZWGYQXZXLO-YPMHNXCESA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573472975 946073718 /nfs/dbraw/zinc/07/37/18/946073718.db2.gz YOEUBSRDJQRVSR-TZMCWYRMSA-N 0 1 386.460 0.379 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573473199 946075480 /nfs/dbraw/zinc/07/54/80/946075480.db2.gz AQCMSWQHEFVUPH-UWVGGRQHSA-N 0 1 377.474 0.389 20 0 GCADMN CN(C(=O)c1ccn(C(F)F)n1)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571291296 946075897 /nfs/dbraw/zinc/07/58/97/946075897.db2.gz IDMIYUNBNHAZJZ-UHFFFAOYSA-N 0 1 389.370 0.990 20 0 GCADMN 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/nfs/dbraw/zinc/59/81/63/947598163.db2.gz PAXDHGHEOYKQSP-SNVBAGLBSA-N 0 1 389.420 0.099 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)n1cncn1 ZINC001573616054 947615998 /nfs/dbraw/zinc/61/59/98/947615998.db2.gz HEUZOQRPLLGMDL-SMDDNHRTSA-N 0 1 385.407 0.549 20 0 GCADMN C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)cc1 ZINC001573355365 947643739 /nfs/dbraw/zinc/64/37/39/947643739.db2.gz OJLIOFCYXWNUHI-CABCVRRESA-N 0 1 392.423 0.669 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573618936 947657392 /nfs/dbraw/zinc/65/73/92/947657392.db2.gz UATOAOOYWPRNFH-STQMWFEESA-N 0 1 382.432 0.399 20 0 GCADMN C[C@H](C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573619782 947669201 /nfs/dbraw/zinc/66/92/01/947669201.db2.gz WVECVLBMBPBSKC-GFCCVEGCSA-N 0 1 382.432 0.329 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)n1cncn1 ZINC001573623987 947691182 /nfs/dbraw/zinc/69/11/82/947691182.db2.gz JGUJIOQPZDGZBE-BXUZGUMPSA-N 0 1 385.407 0.549 20 0 GCADMN C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cncn1 ZINC001573625602 947701376 /nfs/dbraw/zinc/70/13/76/947701376.db2.gz PILQWWPWNFNFGA-LLVKDONJSA-N 0 1 387.473 0.862 20 0 GCADMN C[C@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)n1cncn1 ZINC001573625602 947701384 /nfs/dbraw/zinc/70/13/84/947701384.db2.gz PILQWWPWNFNFGA-LLVKDONJSA-N 0 1 387.473 0.862 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573628211 947747932 /nfs/dbraw/zinc/74/79/32/947747932.db2.gz GKQTYHUOSAHBIB-KZULUSFZSA-N 0 1 388.476 0.526 20 0 GCADMN CC(=O)CCCC(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001573367722 947763798 /nfs/dbraw/zinc/76/37/98/947763798.db2.gz GTRASJAVJZEXNS-ZDUSSCGKSA-N 0 1 375.433 0.277 20 0 GCADMN C[C@H](C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573630688 947795835 /nfs/dbraw/zinc/79/58/35/947795835.db2.gz RQBWAKIFKMDIAF-JSGCOSHPSA-N 0 1 386.460 0.493 20 0 GCADMN CC(=O)CCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001573373695 947797244 /nfs/dbraw/zinc/79/72/44/947797244.db2.gz KHIJIAJWUPSMDL-TZMCWYRMSA-N 0 1 386.460 0.734 20 0 GCADMN CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573373955 947801696 /nfs/dbraw/zinc/80/16/96/947801696.db2.gz HGKDXOIRAXCWRN-KBPBESRZSA-N 0 1 386.460 0.925 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573376084 947830181 /nfs/dbraw/zinc/83/01/81/947830181.db2.gz WILPSTLCESOOHW-KBPBESRZSA-N 0 1 386.460 0.877 20 0 GCADMN CC(=O)CCCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573376407 947836458 /nfs/dbraw/zinc/83/64/58/947836458.db2.gz ZTKVTDVXLZZLLJ-UONOGXRCSA-N 0 1 384.444 0.843 20 0 GCADMN CC(=O)CCCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001573376903 947844448 /nfs/dbraw/zinc/84/44/48/947844448.db2.gz DQCRABLBUJNCHX-KGLIPLIRSA-N 0 1 384.444 0.701 20 0 GCADMN C[C@@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F 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/nfs/dbraw/zinc/91/01/65/947910165.db2.gz CJLIWLAREAJZTE-IAQYHMDHSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573651190 947918284 /nfs/dbraw/zinc/91/82/84/947918284.db2.gz JRTFOOIDRGJZIV-GMTAPVOTSA-N 0 1 376.421 0.740 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573389071 947922535 /nfs/dbraw/zinc/92/25/35/947922535.db2.gz PMLWQFXJWMMXFS-AWEZNQCLSA-N 0 1 389.435 0.517 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1 ZINC001573391846 947937915 /nfs/dbraw/zinc/93/79/15/947937915.db2.gz MGNHJDOGDYGSIF-AWEZNQCLSA-N 0 1 386.460 0.557 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001573392097 947941543 /nfs/dbraw/zinc/94/15/43/947941543.db2.gz RWLDUMHZTSHBDN-UHFFFAOYSA-N 0 1 384.853 0.104 20 0 GCADMN C[C@H](C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C)n1cccn1 ZINC001573654243 947963122 /nfs/dbraw/zinc/96/31/22/947963122.db2.gz QCYYICSPVHAZNO-VXGBXAGGSA-N 0 1 384.448 0.479 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573394670 947964683 /nfs/dbraw/zinc/96/46/83/947964683.db2.gz URIFGCJXSIEGNG-OCCSQVGLSA-N 0 1 386.460 0.058 20 0 GCADMN C[C@H](C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)n1cncn1 ZINC001573654527 947967240 /nfs/dbraw/zinc/96/72/40/947967240.db2.gz RWVRLRJJOAQCRU-RISCZKNCSA-N 0 1 384.448 0.479 20 0 GCADMN C[C@H](C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cnn(C)c1 ZINC001573654832 947971137 /nfs/dbraw/zinc/97/11/37/947971137.db2.gz TUSYYZGHFPPSPZ-ZBEGNZNMSA-N 0 1 381.444 0.528 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573395639 947971335 /nfs/dbraw/zinc/97/13/35/947971335.db2.gz ZNDYQFDDMPDRQI-CYBMUJFWSA-N 0 1 391.501 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573395639 947971339 /nfs/dbraw/zinc/97/13/39/947971339.db2.gz ZNDYQFDDMPDRQI-CYBMUJFWSA-N 0 1 391.501 0.735 20 0 GCADMN C[C@@H](C(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573654848 947971904 /nfs/dbraw/zinc/97/19/04/947971904.db2.gz UAUXVZTUDBTJBB-MGPLVRAMSA-N 0 1 390.835 0.783 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573397912 947976634 /nfs/dbraw/zinc/97/66/34/947976634.db2.gz GDHGFZHDPGGEIK-TZMCWYRMSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@H](C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccnc1 ZINC001573655424 947978186 /nfs/dbraw/zinc/97/81/86/947978186.db2.gz XHWQGKMVCHSGCV-FZMZJTMJSA-N 0 1 379.428 0.584 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@](C)(CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573398317 947980460 /nfs/dbraw/zinc/98/04/60/947980460.db2.gz JGSYKRYDSJOMEK-GOSISDBHSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573398926 947988113 /nfs/dbraw/zinc/98/81/13/947988113.db2.gz QUPDZCJBHOZRDW-OAHLLOKOSA-N 0 1 388.476 0.413 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 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/nfs/dbraw/zinc/01/82/93/948018293.db2.gz AMYGQMANGMULRJ-ZSOGYDGISA-N 0 1 389.485 0.201 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573404218 948018298 /nfs/dbraw/zinc/01/82/98/948018298.db2.gz AMYGQMANGMULRJ-ZSOGYDGISA-N 0 1 389.485 0.201 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]21 ZINC001573404218 948018307 /nfs/dbraw/zinc/01/83/07/948018307.db2.gz AMYGQMANGMULRJ-ZSOGYDGISA-N 0 1 389.485 0.201 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573404295 948019957 /nfs/dbraw/zinc/01/99/57/948019957.db2.gz RJWZQSHRVKAIGU-KGLIPLIRSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573404364 948022125 /nfs/dbraw/zinc/02/21/25/948022125.db2.gz SOJUBFHLROSSEE-KBPBESRZSA-N 0 1 386.460 0.310 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573404553 948025937 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C[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573689935 948221827 /nfs/dbraw/zinc/22/18/27/948221827.db2.gz ASBMGBBSYYUHJZ-JGVFFNPUSA-N 0 1 378.380 0.693 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)NCCN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434964 948222206 /nfs/dbraw/zinc/22/22/06/948222206.db2.gz UEEUQILWWZICHL-GOSISDBHSA-N 0 1 386.460 0.381 20 0 GCADMN C[C@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573690304 948225560 /nfs/dbraw/zinc/22/55/60/948225560.db2.gz CVCLXIZXWHMXTQ-SECBINFHSA-N 0 1 377.409 0.193 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccn1 ZINC001573691094 948233776 /nfs/dbraw/zinc/23/37/76/948233776.db2.gz HLZUCCJMFRANKK-RISCZKNCSA-N 0 1 388.407 0.030 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC001573691514 948242609 /nfs/dbraw/zinc/24/26/09/948242609.db2.gz JOBUWDPKFSWIEL-KCJUWKMLSA-N 0 1 390.341 0.771 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573691876 948250403 /nfs/dbraw/zinc/25/04/03/948250403.db2.gz JNJGNVFJEHXEGX-OLZOCXBDSA-N 0 1 386.460 0.735 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826424865 948275374 /nfs/dbraw/zinc/27/53/74/948275374.db2.gz GZOBFHPIOYPOLO-SKDRFNHKSA-N 0 1 376.327 0.071 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573441811 948277039 /nfs/dbraw/zinc/27/70/39/948277039.db2.gz CAXBAYXLKCRZPF-JSGCOSHPSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1)C1CCC1 ZINC001573693707 948284943 /nfs/dbraw/zinc/28/49/43/948284943.db2.gz YJJRUZMMARWGID-GFCCVEGCSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC001573695894 948310927 /nfs/dbraw/zinc/31/09/27/948310927.db2.gz YQWUAHJTMPNPSH-BXUZGUMPSA-N 0 1 388.403 0.969 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573445256 948321466 /nfs/dbraw/zinc/32/14/66/948321466.db2.gz ZBKNLOTYTWOMNX-JSGCOSHPSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NCC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573445258 948322164 /nfs/dbraw/zinc/32/21/64/948322164.db2.gz ZBKNLOTYTWOMNX-TZMCWYRMSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)N(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573445252 948322781 /nfs/dbraw/zinc/32/27/81/948322781.db2.gz ZBGAIPOBYPVOPZ-JSGCOSHPSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573446503 948331960 /nfs/dbraw/zinc/33/19/60/948331960.db2.gz IFAPORQVUMJRPA-CZUORRHYSA-N 0 1 384.444 0.016 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573446893 948337689 /nfs/dbraw/zinc/33/76/89/948337689.db2.gz QYPZSAPSNDFBQS-SEEARECTSA-N 0 1 384.444 0.096 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573702018 948342569 /nfs/dbraw/zinc/34/25/69/948342569.db2.gz CNDZPCUQFWTMTM-STQMWFEESA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H](C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573704671 948380980 /nfs/dbraw/zinc/38/09/80/948380980.db2.gz UPLFAYJCUPJKHE-LKSINWNRSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1)C1CCC1 ZINC001573705057 948389151 /nfs/dbraw/zinc/38/91/51/948389151.db2.gz COKGEFAYKUXXEP-GXTWGEPZSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573705483 948401934 /nfs/dbraw/zinc/40/19/34/948401934.db2.gz HVDLZCHDJYHAFE-NWDGAFQWSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573705483 948401938 /nfs/dbraw/zinc/40/19/38/948401938.db2.gz HVDLZCHDJYHAFE-NWDGAFQWSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573705483 948401941 /nfs/dbraw/zinc/40/19/41/948401941.db2.gz HVDLZCHDJYHAFE-NWDGAFQWSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573705483 948401945 /nfs/dbraw/zinc/40/19/45/948401945.db2.gz HVDLZCHDJYHAFE-NWDGAFQWSA-N 0 1 387.473 0.719 20 0 GCADMN O=S(=O)(Nc1ccccc1-c1nn[nH]n1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000826497241 948411175 /nfs/dbraw/zinc/41/11/75/948411175.db2.gz ZHTQGOKKMPKFIX-UHFFFAOYSA-N 0 1 391.434 0.997 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCCC1 ZINC001573706400 948418476 /nfs/dbraw/zinc/41/84/76/948418476.db2.gz IYHHAGLSSCAQTF-OCCSQVGLSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573706793 948424545 /nfs/dbraw/zinc/42/45/45/948424545.db2.gz LFBFGFGUAVAATE-OCCSQVGLSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573707591 948437178 /nfs/dbraw/zinc/43/71/78/948437178.db2.gz OULJBSPSFARIEC-NXEZZACHSA-N 0 1 382.375 0.269 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(F)(F)F ZINC001573708259 948445963 /nfs/dbraw/zinc/44/59/63/948445963.db2.gz SHKSOTFALUTQQF-IUCAKERBSA-N 0 1 386.338 0.177 20 0 GCADMN C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001573708269 948446000 /nfs/dbraw/zinc/44/60/00/948446000.db2.gz SNYZEIPKUSNSOG-CHWSQXEVSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573714896 948478328 /nfs/dbraw/zinc/47/83/28/948478328.db2.gz KNZVYXUTYNIQMN-CHWSQXEVSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001573714932 948478441 /nfs/dbraw/zinc/47/84/41/948478441.db2.gz LNYCZVBUCLHEGG-NHYWBVRUSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](C(=O)NCCNC(=O)OCc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573717539 948509513 /nfs/dbraw/zinc/50/95/13/948509513.db2.gz FKCMLYUGQVLHFK-LLVKDONJSA-N 0 1 385.388 0.062 20 0 GCADMN C[C@@H](C(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC(=O)N1 ZINC001573718171 948515842 /nfs/dbraw/zinc/51/58/42/948515842.db2.gz ICWMKZCTVRWEIC-YGRLFVJLSA-N 0 1 375.408 0.126 20 0 GCADMN C[C@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)N(C)CC(F)(F)F ZINC001573719256 948525403 /nfs/dbraw/zinc/52/54/03/948525403.db2.gz MITWHHTZNRRXIN-SECBINFHSA-N 0 1 387.370 0.092 20 0 GCADMN C[C@@H](C(=O)NCc1sncc1Br)n1cnc(-c2nn[nH]n2)n1 ZINC001573729081 948566372 /nfs/dbraw/zinc/56/63/72/948566372.db2.gz GARSTHXCUCDWBB-YFKPBYRVSA-N 0 1 384.223 0.555 20 0 GCADMN C[C@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573732096 948600291 /nfs/dbraw/zinc/60/02/91/948600291.db2.gz LAZCYMKKVVTPSM-VHSXEESVSA-N 0 1 390.429 0.300 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C(C)(F)F ZINC001573739831 948624188 /nfs/dbraw/zinc/62/41/88/948624188.db2.gz BSYXKUNFXBDDEN-GDLCADMTSA-N 0 1 380.399 0.819 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573740054 948627496 /nfs/dbraw/zinc/62/74/96/948627496.db2.gz CTOXWNQUSZCQNL-NQBHXWOUSA-N 0 1 382.432 0.135 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)c1cnn(C)c1 ZINC001573745686 948674759 /nfs/dbraw/zinc/67/47/59/948674759.db2.gz GSSHEITWHGEPAC-WZRBSPASSA-N 0 1 382.432 0.277 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573746539 948684802 /nfs/dbraw/zinc/68/48/02/948684802.db2.gz NWXWGGXJHOYLLG-AVGNSLFASA-N 0 1 382.432 0.376 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573746785 948684884 /nfs/dbraw/zinc/68/48/84/948684884.db2.gz LCLOYYKJZAKLHB-OBJOEFQTSA-N 0 1 381.444 0.528 20 0 GCADMN CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574417175 948766438 /nfs/dbraw/zinc/76/64/38/948766438.db2.gz MWBZCGKCKACTAH-AWEZNQCLSA-N 0 1 382.428 0.405 20 0 GCADMN CC(C)c1cccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574418476 948777495 /nfs/dbraw/zinc/77/74/95/948777495.db2.gz WUBKMBYJYMBKBS-GFCCVEGCSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574679465 948779799 /nfs/dbraw/zinc/77/97/99/948779799.db2.gz VUVWVIJDHFJVGZ-LBPRGKRZSA-N 0 1 389.464 0.074 20 0 GCADMN C[C@@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574679465 948779808 /nfs/dbraw/zinc/77/98/08/948779808.db2.gz VUVWVIJDHFJVGZ-LBPRGKRZSA-N 0 1 389.464 0.074 20 0 GCADMN CC(F)(F)C1(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575224720 948790985 /nfs/dbraw/zinc/79/09/85/948790985.db2.gz XPQKIYQHZVXCBT-SNVBAGLBSA-N 0 1 378.387 0.917 20 0 GCADMN CC(F)(F)CC(=O)NC1(CO)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001575224894 948795717 /nfs/dbraw/zinc/79/57/17/948795717.db2.gz TVNHSQUPUMSECF-UHFFFAOYSA-N 0 1 381.387 0.755 20 0 GCADMN CC(C)c1cccc(CN[C@@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574420281 948798505 /nfs/dbraw/zinc/79/85/05/948798505.db2.gz SOKUFKMIYISHJX-CQSZACIVSA-N 0 1 384.444 0.594 20 0 GCADMN CC(C)[C@H](F)C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001574081320 948825926 /nfs/dbraw/zinc/82/59/26/948825926.db2.gz RZEOJRRPWCYXNM-CSMHCCOUSA-N 0 1 389.844 0.636 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573761145 948837113 /nfs/dbraw/zinc/83/71/13/948837113.db2.gz DWEUARCTGBIPFE-ZDUSSCGKSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@@H](CNC(=O)CCCc1cccnc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574918567 948848216 /nfs/dbraw/zinc/84/82/16/948848216.db2.gz NPSBGMMJHULIOM-CYBMUJFWSA-N 0 1 381.444 0.661 20 0 GCADMN C[C@@H](CNC(=O)CCCn1cncn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574919254 948872470 /nfs/dbraw/zinc/87/24/70/948872470.db2.gz XJDZBEFZIYTUDO-LBPRGKRZSA-N 0 1 387.423 0.672 20 0 GCADMN CC(C)c1nc(CN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C2CC2)n[nH]1 ZINC001574425508 948875738 /nfs/dbraw/zinc/87/57/38/948875738.db2.gz HCVSUUMSBVBASN-UHFFFAOYSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573764345 948885486 /nfs/dbraw/zinc/88/54/86/948885486.db2.gz NOSGKQVDAGACGF-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)c1nc(CN2CC([C@H](C)NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574426457 948887127 /nfs/dbraw/zinc/88/71/27/948887127.db2.gz RSUNIFOAKAQBEY-JTQLQIEISA-N 0 1 384.448 0.687 20 0 GCADMN CC(C)c1ncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001574427400 948903568 /nfs/dbraw/zinc/90/35/68/948903568.db2.gz DXJSPCRUSFKEKI-SNVBAGLBSA-N 0 1 385.457 0.985 20 0 GCADMN CC(F)(F)CCC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575234760 948904543 /nfs/dbraw/zinc/90/45/43/948904543.db2.gz DSBXETUHSABTOJ-LLVKDONJSA-N 0 1 381.387 0.758 20 0 GCADMN CC(C)(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)[NH+]1CCCCC1 ZINC001573765398 948908006 /nfs/dbraw/zinc/90/80/06/948908006.db2.gz CCNNDKUKGCMQCO-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)[NH+]1CCCCC1 ZINC001573765398 948908026 /nfs/dbraw/zinc/90/80/26/948908026.db2.gz CCNNDKUKGCMQCO-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920951 948915627 /nfs/dbraw/zinc/91/56/27/948915627.db2.gz RUMJDGFRANJMLM-GFCCVEGCSA-N 0 1 386.435 0.966 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921192 948917761 /nfs/dbraw/zinc/91/77/61/948917761.db2.gz VACVFVFGGQALIL-SNVBAGLBSA-N 0 1 375.462 0.284 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574921192 948917774 /nfs/dbraw/zinc/91/77/74/948917774.db2.gz VACVFVFGGQALIL-SNVBAGLBSA-N 0 1 375.462 0.284 20 0 GCADMN CC(C)(C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[NH+]1CCCCC1 ZINC001573765648 948920487 /nfs/dbraw/zinc/92/04/87/948920487.db2.gz VHSVJLCAOCRGLC-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)(C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCCC1 ZINC001573765648 948920507 /nfs/dbraw/zinc/92/05/07/948920507.db2.gz VHSVJLCAOCRGLC-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)c1ncncc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574431804 948926325 /nfs/dbraw/zinc/92/63/25/948926325.db2.gz BUAQIWNMIGIHCV-UHFFFAOYSA-N 0 1 380.416 0.533 20 0 GCADMN CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574432232 948927782 /nfs/dbraw/zinc/92/77/82/948927782.db2.gz FZBACMFNAYVQQS-NSHDSACASA-N 0 1 380.416 0.319 20 0 GCADMN C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574923014 948932774 /nfs/dbraw/zinc/93/27/74/948932774.db2.gz BGHQKSVZGPOIBL-SNVBAGLBSA-N 0 1 390.839 0.183 20 0 GCADMN CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573771438 948939308 /nfs/dbraw/zinc/93/93/08/948939308.db2.gz HMWVHQMYWUCJOR-UHFFFAOYSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574923378 948945054 /nfs/dbraw/zinc/94/50/54/948945054.db2.gz KZFCRCQNUCNTOG-ZDUSSCGKSA-N 0 1 382.428 0.455 20 0 GCADMN CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573771717 948946406 /nfs/dbraw/zinc/94/64/06/948946406.db2.gz LVLZVOCSCVQPEG-LLVKDONJSA-N 0 1 382.432 0.086 20 0 GCADMN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574924085 948962495 /nfs/dbraw/zinc/96/24/95/948962495.db2.gz VLBUYVLMUCAOQD-NSHDSACASA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574924085 948962504 /nfs/dbraw/zinc/96/25/04/948962504.db2.gz VLBUYVLMUCAOQD-NSHDSACASA-N 0 1 391.501 0.733 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574433844 948968185 /nfs/dbraw/zinc/96/81/85/948968185.db2.gz SHVPTARPYFLSHJ-LLVKDONJSA-N 0 1 384.448 0.508 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCC1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574925840 948981759 /nfs/dbraw/zinc/98/17/59/948981759.db2.gz FFHGHUWXJXNQTP-LBPRGKRZSA-N 0 1 389.435 0.613 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574926452 949000313 /nfs/dbraw/zinc/00/03/13/949000313.db2.gz QVRRWSIUCQZUGK-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574926452 949000328 /nfs/dbraw/zinc/00/03/28/949000328.db2.gz QVRRWSIUCQZUGK-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574926452 949000344 /nfs/dbraw/zinc/00/03/44/949000344.db2.gz QVRRWSIUCQZUGK-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574926452 949000358 /nfs/dbraw/zinc/00/03/58/949000358.db2.gz QVRRWSIUCQZUGK-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926474 949000430 /nfs/dbraw/zinc/00/04/30/949000430.db2.gz RNRQMUURSZGVGU-LLVKDONJSA-N 0 1 377.474 0.535 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574926474 949000445 /nfs/dbraw/zinc/00/04/45/949000445.db2.gz RNRQMUURSZGVGU-LLVKDONJSA-N 0 1 377.474 0.535 20 0 GCADMN CC(C)(C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)C1CCOCC1 ZINC001573774649 949018658 /nfs/dbraw/zinc/01/86/58/949018658.db2.gz PWCVZYNIAXNEOZ-CYBMUJFWSA-N 0 1 389.460 0.025 20 0 GCADMN CC(C)c1nnsc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574440128 949025512 /nfs/dbraw/zinc/02/55/12/949025512.db2.gz OASOKOZKHRKRCW-SECBINFHSA-N 0 1 386.445 0.640 20 0 GCADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573775053 949029573 /nfs/dbraw/zinc/02/95/73/949029573.db2.gz SQQSROLNEHBBTD-ZDUSSCGKSA-N 0 1 388.476 0.574 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575246360 949032364 /nfs/dbraw/zinc/03/23/64/949032364.db2.gz GEROSUZPYJHABP-LLVKDONJSA-N 0 1 389.464 0.102 20 0 GCADMN CC(C)c1nnsc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574440590 949032714 /nfs/dbraw/zinc/03/27/14/949032714.db2.gz UCGWYAYUOKKJCD-VIFPVBQESA-N 0 1 388.461 0.674 20 0 GCADMN C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575246366 949032784 /nfs/dbraw/zinc/03/27/84/949032784.db2.gz GEROSUZPYJHABP-NSHDSACASA-N 0 1 389.464 0.102 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574926980 949033005 /nfs/dbraw/zinc/03/30/05/949033005.db2.gz DVLLRNVJAITRRY-LLVKDONJSA-N 0 1 391.451 0.762 20 0 GCADMN C[C@H](CNC(=O)CN1Cc2ccccc2C1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574927002 949033692 /nfs/dbraw/zinc/03/36/92/949033692.db2.gz FNVRKKQENVAFLX-GFCCVEGCSA-N 0 1 392.423 0.256 20 0 GCADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001573775502 949044820 /nfs/dbraw/zinc/04/48/20/949044820.db2.gz XXLGMLNSXFOIJZ-AWEZNQCLSA-N 0 1 381.440 0.550 20 0 GCADMN C[C@H](CN(C)C(=O)C(=O)NCC(F)F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574693789 949058678 /nfs/dbraw/zinc/05/86/78/949058678.db2.gz JIXSBAOSUIKISE-MRVPVSSYSA-N 0 1 387.416 0.246 20 0 GCADMN C[C@H](CN(C)C(=O)C(=O)NCC(F)F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574693789 949058701 /nfs/dbraw/zinc/05/87/01/949058701.db2.gz JIXSBAOSUIKISE-MRVPVSSYSA-N 0 1 387.416 0.246 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C(N)=O)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575248174 949064092 /nfs/dbraw/zinc/06/40/92/949064092.db2.gz PABKZPPNECHJLV-SECBINFHSA-N 0 1 377.474 0.376 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248425 949070724 /nfs/dbraw/zinc/07/07/24/949070724.db2.gz RQBSXDJOGSHYEW-RYUDHWBXSA-N 0 1 388.476 0.493 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575504708 949084486 /nfs/dbraw/zinc/08/44/86/949084486.db2.gz WOUHYIFKNUYZIO-OLZOCXBDSA-N 0 1 382.428 0.805 20 0 GCADMN C[C@H](CNC(=O)COCc1ccncc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574929271 949085623 /nfs/dbraw/zinc/08/56/23/949085623.db2.gz BRTOBQIPOSFWJY-CYBMUJFWSA-N 0 1 382.428 0.814 20 0 GCADMN C[C@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574694674 949085939 /nfs/dbraw/zinc/08/59/39/949085939.db2.gz UGSOOIBXACEBCP-GFCCVEGCSA-N 0 1 388.476 0.790 20 0 GCADMN CC(C)c1nocc1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001574441969 949087254 /nfs/dbraw/zinc/08/72/54/949087254.db2.gz HKAIPAIEMXDHIM-UHFFFAOYSA-N 0 1 386.416 0.342 20 0 GCADMN CC(C)c1nocc1C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574442108 949091086 /nfs/dbraw/zinc/09/10/86/949091086.db2.gz KSHSZAUGBXDZGI-GFCCVEGCSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)(C(=O)NCCn1cnc(-c2nn[nH]n2)n1)c1cc(C(F)(F)F)ccn1 ZINC001573781158 949099425 /nfs/dbraw/zinc/09/94/25/949099425.db2.gz DDGDQHAINWKZPP-UHFFFAOYSA-N 0 1 395.349 0.966 20 0 GCADMN CC(C)c1nocc1C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574442767 949103877 /nfs/dbraw/zinc/10/38/77/949103877.db2.gz UOMPJMKDMZYDTJ-LLVKDONJSA-N 0 1 386.416 0.340 20 0 GCADMN C[C@H](CNC(=O)CO[C@H]1CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574932176 949129671 /nfs/dbraw/zinc/12/96/71/949129671.db2.gz VMCLJCSEIYWAGA-SFYZADRCSA-N 0 1 387.853 0.699 20 0 GCADMN C[C@@H](CNC(=O)COCc1ccncc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574932250 949134508 /nfs/dbraw/zinc/13/45/08/949134508.db2.gz WSCDAHNTAVGQRV-CYBMUJFWSA-N 0 1 382.428 0.460 20 0 GCADMN CC(C)[C@@H]1C[C@H](C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001574094439 949136226 /nfs/dbraw/zinc/13/62/26/949136226.db2.gz WBXLXWFGUWTEBR-KGLIPLIRSA-N 0 1 386.460 0.757 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574696637 949138867 /nfs/dbraw/zinc/13/88/67/949138867.db2.gz SSSLUCYWHPVJLC-LBPRGKRZSA-N 0 1 389.464 0.074 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574696637 949138880 /nfs/dbraw/zinc/13/88/80/949138880.db2.gz SSSLUCYWHPVJLC-LBPRGKRZSA-N 0 1 389.464 0.074 20 0 GCADMN C[C@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251407 949139221 /nfs/dbraw/zinc/13/92/21/949139221.db2.gz MVMJDYAOTDWKTQ-RYUDHWBXSA-N 0 1 381.444 0.757 20 0 GCADMN C[C@H](CNC(=O)COc1ccccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574934361 949156098 /nfs/dbraw/zinc/15/60/98/949156098.db2.gz GFEZKCBHUQUMRN-SNVBAGLBSA-N 0 1 388.819 0.728 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574697583 949158765 /nfs/dbraw/zinc/15/87/65/949158765.db2.gz BCTHUYANEVWYKR-KGLIPLIRSA-N 0 1 387.492 0.602 20 0 GCADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccc(-c4nn[n-]n4)nc3)C[C@H]21)[NH+]1CCCC1 ZINC001573786977 949160348 /nfs/dbraw/zinc/16/03/48/949160348.db2.gz HHPXFVMNEXIVTI-FOLVSLTJSA-N 0 1 382.472 0.687 20 0 GCADMN C[C@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574934499 949162311 /nfs/dbraw/zinc/16/23/11/949162311.db2.gz JOJBHXLYWYRRPA-SNVBAGLBSA-N 0 1 389.366 0.957 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)Oc1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574697919 949167389 /nfs/dbraw/zinc/16/73/89/949167389.db2.gz DGJQKFKEGDNYNS-CHWSQXEVSA-N 0 1 382.428 0.805 20 0 GCADMN C[C@@H](c1cnccn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575514480 949168687 /nfs/dbraw/zinc/16/86/87/949168687.db2.gz CBIWGMNBWVGMJT-LBPRGKRZSA-N 0 1 379.428 0.894 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574698010 949170208 /nfs/dbraw/zinc/17/02/08/949170208.db2.gz FDKHKFVRLRYJER-MNOVXSKESA-N 0 1 385.432 0.373 20 0 GCADMN C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574934761 949176049 /nfs/dbraw/zinc/17/60/49/949176049.db2.gz QAJLCWHJWUVFDF-SNVBAGLBSA-N 0 1 389.366 0.957 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCC1 ZINC001573787314 949176477 /nfs/dbraw/zinc/17/64/77/949176477.db2.gz SPNUFJHBCUJCCS-JOCQHMNTSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573787314 949176489 /nfs/dbraw/zinc/17/64/89/949176489.db2.gz SPNUFJHBCUJCCS-JOCQHMNTSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](c1cnccn1)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001575515068 949179034 /nfs/dbraw/zinc/17/90/34/949179034.db2.gz FWNUPADYUNXGHT-LPWJVIDDSA-N 0 1 379.428 0.654 20 0 GCADMN CC(C)c1oncc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574448201 949181740 /nfs/dbraw/zinc/18/17/40/949181740.db2.gz GAISEEWYQFBUEW-LLVKDONJSA-N 0 1 383.416 0.764 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCOCC1 ZINC001573787552 949182685 /nfs/dbraw/zinc/18/26/85/949182685.db2.gz WEAVHUYKJDJVNS-JOCQHMNTSA-N 0 1 386.460 0.591 20 0 GCADMN CC(C)c1oncc1C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574448235 949184036 /nfs/dbraw/zinc/18/40/36/949184036.db2.gz GTVVLFUHILZESL-NSHDSACASA-N 0 1 386.416 0.340 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)C(C)(C)C1CCOCC1 ZINC001575253410 949186936 /nfs/dbraw/zinc/18/69/36/949186936.db2.gz TVPVMCNYKDONPB-NEPJUHHUSA-N 0 1 388.476 0.837 20 0 GCADMN CC(C)c1oncc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001574449887 949201521 /nfs/dbraw/zinc/20/15/21/949201521.db2.gz UUILDYLUCBUNJH-JQWIXIFHSA-N 0 1 383.416 0.763 20 0 GCADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1 ZINC001589604752 949229722 /nfs/dbraw/zinc/22/97/22/949229722.db2.gz GTHVSXSACIBVBK-GOSISDBHSA-N 0 1 380.445 0.947 20 0 GCADMN C[C@@H](Oc1ccccn1)C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574699984 949247214 /nfs/dbraw/zinc/24/72/14/949247214.db2.gz XMAOOEOVAHUHNE-QWHCGFSZSA-N 0 1 382.428 0.805 20 0 GCADMN CC1(Nc2nccnc2-c2nnn[n-]2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001575856603 949250475 /nfs/dbraw/zinc/25/04/75/949250475.db2.gz ICZLIUODUNGXBC-UHFFFAOYSA-N 0 1 383.460 0.546 20 0 GCADMN CC1(Nc2nccnc2-c2nn[n-]n2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001575856603 949250503 /nfs/dbraw/zinc/25/05/03/949250503.db2.gz ICZLIUODUNGXBC-UHFFFAOYSA-N 0 1 383.460 0.546 20 0 GCADMN C[C@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574938703 949250922 /nfs/dbraw/zinc/25/09/22/949250922.db2.gz ZIAYSBPHXLJTIJ-JTQLQIEISA-N 0 1 388.382 0.764 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccncc1-c1nn[nH]n1 ZINC001574940179 949251546 /nfs/dbraw/zinc/25/15/46/949251546.db2.gz AOZQVLZDAOCCGQ-LBPRGKRZSA-N 0 1 379.424 0.778 20 0 GCADMN CC(C)n1cc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574453139 949276995 /nfs/dbraw/zinc/27/69/95/949276995.db2.gz XBKWWCIWIRCPHQ-CYBMUJFWSA-N 0 1 382.432 0.785 20 0 GCADMN CC(C)(C)C(=O)C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573793065 949280847 /nfs/dbraw/zinc/28/08/47/949280847.db2.gz JTMWIDGMWCYVRW-RYUDHWBXSA-N 0 1 384.444 0.842 20 0 GCADMN C[C@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575257764 949285326 /nfs/dbraw/zinc/28/53/26/949285326.db2.gz BQBMZNMCBOIAOF-QWHCGFSZSA-N 0 1 385.428 0.871 20 0 GCADMN CC(C)n1cc(CNC2CC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001574454805 949291075 /nfs/dbraw/zinc/29/10/75/949291075.db2.gz FZKGZWRXFGWLSU-UHFFFAOYSA-N 0 1 384.448 0.665 20 0 GCADMN CC(C)n1cc(CNC2CC(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001574455173 949299529 /nfs/dbraw/zinc/29/95/29/949299529.db2.gz MECVJVRNGQQLKY-UHFFFAOYSA-N 0 1 384.448 0.665 20 0 GCADMN CC(C)n1ccc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574457241 949313579 /nfs/dbraw/zinc/31/35/79/949313579.db2.gz DGVQKHWWMAROHQ-LBPRGKRZSA-N 0 1 382.432 0.430 20 0 GCADMN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@@H+](C)CCCC(=O)[O-])C1=O ZINC001589613853 949351478 /nfs/dbraw/zinc/35/14/78/949351478.db2.gz YTVFTTNMRRMMSO-GOSISDBHSA-N 0 1 376.413 0.672 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)n1 ZINC001574459828 949369357 /nfs/dbraw/zinc/36/93/57/949369357.db2.gz LVFXVYIVLQLPRS-VIKVFOODSA-N 0 1 379.428 0.904 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573799525 949376361 /nfs/dbraw/zinc/37/63/61/949376361.db2.gz NCZIMVHOHFWVSK-GFCCVEGCSA-N 0 1 386.460 0.106 20 0 GCADMN CC(C)n1cccc1C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574460702 949381143 /nfs/dbraw/zinc/38/11/43/949381143.db2.gz YERKEIMECWWGSC-ZDUSSCGKSA-N 0 1 384.444 0.611 20 0 GCADMN CC(C)n1ccc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574460940 949385268 /nfs/dbraw/zinc/38/52/68/949385268.db2.gz ZKLZIWRUAWABEA-ZDUSSCGKSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](NC(=O)[C@@H]1COC(=O)N1)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263339 949391233 /nfs/dbraw/zinc/39/12/33/949391233.db2.gz GEIQXBNVUQYGLF-XPTSAGLGSA-N 0 1 389.391 0.051 20 0 GCADMN CC(C)n1cnc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)c1 ZINC001574464132 949398004 /nfs/dbraw/zinc/39/80/04/949398004.db2.gz GOUMCGIKVCFLNM-UHFFFAOYSA-N 0 1 382.432 0.621 20 0 GCADMN CC(C)n1cnc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)c1 ZINC001574464143 949398603 /nfs/dbraw/zinc/39/86/03/949398603.db2.gz GVYRSHVNVQQASK-UHFFFAOYSA-N 0 1 385.432 0.008 20 0 GCADMN C[C@H](CNC(=O)Cc1n[nH]c2ccccc12)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574944810 949401754 /nfs/dbraw/zinc/40/17/54/949401754.db2.gz GRMTWRGRHCFBMC-NSHDSACASA-N 0 1 392.427 0.362 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575263573 949403533 /nfs/dbraw/zinc/40/35/33/949403533.db2.gz ICSZTOSRXOYENN-CHWSQXEVSA-N 0 1 387.492 0.504 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001574464369 949409963 /nfs/dbraw/zinc/40/99/63/949409963.db2.gz MGWGJIWLPYWNRA-LLVKDONJSA-N 0 1 390.473 0.586 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001574464369 949409977 /nfs/dbraw/zinc/40/99/77/949409977.db2.gz MGWGJIWLPYWNRA-LLVKDONJSA-N 0 1 390.473 0.586 20 0 GCADMN C[C@@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1nccnc1-c1nn[nH]n1 ZINC001574945493 949410578 /nfs/dbraw/zinc/41/05/78/949410578.db2.gz KUMPEQYBQIMYAF-JTQLQIEISA-N 0 1 382.432 0.418 20 0 GCADMN C[C@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1nccnc1-c1nn[nH]n1 ZINC001574945494 949411079 /nfs/dbraw/zinc/41/10/79/949411079.db2.gz KUMPEQYBQIMYAF-SNVBAGLBSA-N 0 1 382.432 0.418 20 0 GCADMN C[C@@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574945754 949420747 /nfs/dbraw/zinc/42/07/47/949420747.db2.gz NMUOJTXTGFCMSV-LBPRGKRZSA-N 0 1 381.444 0.376 20 0 GCADMN CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573802444 949421317 /nfs/dbraw/zinc/42/13/17/949421317.db2.gz HMPIVRIUXKGPLW-GFCCVEGCSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](NC(=O)[C@H]1COCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575264282 949421335 /nfs/dbraw/zinc/42/13/35/949421335.db2.gz NLESOBILQPGALL-MEDUHNTESA-N 0 1 390.419 0.358 20 0 GCADMN CC(C)CC(=O)NC1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574116544 949424051 /nfs/dbraw/zinc/42/40/51/949424051.db2.gz ABKWCBQJIQPURR-UHFFFAOYSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574946142 949429723 /nfs/dbraw/zinc/42/97/23/949429723.db2.gz RXEQCFCYHJEGHG-VIFPVBQESA-N 0 1 385.457 0.572 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705566 949431142 /nfs/dbraw/zinc/43/11/42/949431142.db2.gz IOPYQSUGJHIGBK-ZIAGYGMSSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705566 949431158 /nfs/dbraw/zinc/43/11/58/949431158.db2.gz IOPYQSUGJHIGBK-ZIAGYGMSSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)n1cnc(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001574465413 949432490 /nfs/dbraw/zinc/43/24/90/949432490.db2.gz XUKSBILIRCIVCJ-UHFFFAOYSA-N 0 1 382.432 0.787 20 0 GCADMN CC(C)n1nccc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574467968 949446865 /nfs/dbraw/zinc/44/68/65/949446865.db2.gz BGBRKVWCKXALLR-LBPRGKRZSA-N 0 1 382.432 0.573 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573803681 949448021 /nfs/dbraw/zinc/44/80/21/949448021.db2.gz PYQMLRXXRFZOMZ-UHFFFAOYSA-N 0 1 379.490 0.686 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573803681 949448032 /nfs/dbraw/zinc/44/80/32/949448032.db2.gz PYQMLRXXRFZOMZ-UHFFFAOYSA-N 0 1 379.490 0.686 20 0 GCADMN CC(C)n1nccc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574468089 949455723 /nfs/dbraw/zinc/45/57/23/949455723.db2.gz ISRLDJDRKVNUFB-GFCCVEGCSA-N 0 1 382.432 0.785 20 0 GCADMN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575536018 949462940 /nfs/dbraw/zinc/46/29/40/949462940.db2.gz DBONRSDFPBYCSG-DIFFPNOSSA-N 0 1 389.485 0.535 20 0 GCADMN 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949484847 /nfs/dbraw/zinc/48/48/47/949484847.db2.gz REBRPWRGLVRHLK-QMMMGPOBSA-N 0 1 381.853 0.814 20 0 GCADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccn[nH]1 ZINC001576158501 949502684 /nfs/dbraw/zinc/50/26/84/949502684.db2.gz TXAACAOXCHQUNB-PIGZYNQJSA-N 0 1 382.432 0.593 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871754 949517908 /nfs/dbraw/zinc/51/79/08/949517908.db2.gz BXLUDFYXSKTYEM-TZMCWYRMSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871754 949517931 /nfs/dbraw/zinc/51/79/31/949517931.db2.gz BXLUDFYXSKTYEM-TZMCWYRMSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574122006 949520706 /nfs/dbraw/zinc/52/07/06/949520706.db2.gz SPYJBMYVISPBQD-CYBMUJFWSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H](NC(=O)C[C@H]1CCNC1=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268517 949522860 /nfs/dbraw/zinc/52/28/60/949522860.db2.gz NGHSKMRROOCLBP-IUODEOHRSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575871947 949525910 /nfs/dbraw/zinc/52/59/10/949525910.db2.gz DCLIZNXVYPDMHU-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575871947 949525923 /nfs/dbraw/zinc/52/59/23/949525923.db2.gz DCLIZNXVYPDMHU-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)n1ncnc1CNC[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574471096 949526248 /nfs/dbraw/zinc/52/62/48/949526248.db2.gz JEFFGMXNVFZOKT-GFCCVEGCSA-N 0 1 384.448 0.619 20 0 GCADMN CC(C)n1ncnc1CNC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574471122 949527128 /nfs/dbraw/zinc/52/71/28/949527128.db2.gz JSGYVDFHMWYNRV-GFCCVEGCSA-N 0 1 384.448 0.619 20 0 GCADMN C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163391 949531744 /nfs/dbraw/zinc/53/17/44/949531744.db2.gz ASGNGILJACCBLN-QWHCGFSZSA-N 0 1 386.460 0.423 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711549 949543903 /nfs/dbraw/zinc/54/39/03/949543903.db2.gz IZASIDFGJDJVBO-YVEFUNNKSA-N 0 1 379.424 0.946 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872394 949547451 /nfs/dbraw/zinc/54/74/51/949547451.db2.gz IUWYKGSLBDDZJX-NWDGAFQWSA-N 0 1 390.423 0.649 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872393 949547566 /nfs/dbraw/zinc/54/75/66/949547566.db2.gz IUWYKGSLBDDZJX-NEPJUHHUSA-N 0 1 390.423 0.649 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711631 949548625 /nfs/dbraw/zinc/54/86/25/949548625.db2.gz JQOBCVMMKTVXTM-HZMBPMFUSA-N 0 1 382.403 0.816 20 0 GCADMN C[C@H](NC(=O)C[C@@H]1COC(=O)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269471 949553965 /nfs/dbraw/zinc/55/39/65/949553965.db2.gz VEAURBXXDHIYBN-JSGCOSHPSA-N 0 1 384.440 0.756 20 0 GCADMN C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269632 949555805 /nfs/dbraw/zinc/55/58/05/949555805.db2.gz VZXFWHNBGDEXRH-ZYHUDNBSSA-N 0 1 389.485 0.533 20 0 GCADMN C[C@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269630 949556327 /nfs/dbraw/zinc/55/63/27/949556327.db2.gz VZXFWHNBGDEXRH-JQWIXIFHSA-N 0 1 389.485 0.533 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCOC1 ZINC001575539732 949557513 /nfs/dbraw/zinc/55/75/13/949557513.db2.gz SHSLUIBRRQHLMP-ACJLOTCBSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873024 949566004 /nfs/dbraw/zinc/56/60/04/949566004.db2.gz MSSABHCZWNACFL-STQMWFEESA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873024 949566022 /nfs/dbraw/zinc/56/60/22/949566022.db2.gz MSSABHCZWNACFL-STQMWFEESA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576165361 949567310 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1 379.428 0.147 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873945 949597500 /nfs/dbraw/zinc/59/75/00/949597500.db2.gz CSLMYJJNDOSWKF-OLZOCXBDSA-N 0 1 382.432 0.417 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874313 949608925 /nfs/dbraw/zinc/60/89/25/949608925.db2.gz FXNNJZNWOVNYAF-BXUZGUMPSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2cnn[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874313 949608937 /nfs/dbraw/zinc/60/89/37/949608937.db2.gz FXNNJZNWOVNYAF-BXUZGUMPSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H](NC(=O)CCNC(N)=O)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575271073 949611010 /nfs/dbraw/zinc/61/10/10/949611010.db2.gz HWJLOZQZUBXOEI-SNVBAGLBSA-N 0 1 390.423 0.001 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576167576 949612876 /nfs/dbraw/zinc/61/28/76/949612876.db2.gz QXEDOQQRRWRXLG-DOMZBBRYSA-N 0 1 385.428 0.611 20 0 GCADMN CC(C)CC(C)(C)C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001574127410 949613136 /nfs/dbraw/zinc/61/31/36/949613136.db2.gz HJRAIPADYVNSKU-UHFFFAOYSA-N 0 1 375.477 0.989 20 0 GCADMN C[C@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575271279 949613895 /nfs/dbraw/zinc/61/38/95/949613895.db2.gz JGLLTOFVSRICLM-QWHCGFSZSA-N 0 1 386.460 0.638 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001575546626 949614529 /nfs/dbraw/zinc/61/45/29/949614529.db2.gz RKGLGGLCKPUXEG-KPZWWZAWSA-N 0 1 384.444 0.003 20 0 GCADMN CC1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575546456 949614855 /nfs/dbraw/zinc/61/48/55/949614855.db2.gz QLAJQYQCKVYUDU-ZDUSSCGKSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957458 949615903 /nfs/dbraw/zinc/61/59/03/949615903.db2.gz YJNBPAZKCGISHJ-PWSUYJOCSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957458 949615914 /nfs/dbraw/zinc/61/59/14/949615914.db2.gz YJNBPAZKCGISHJ-PWSUYJOCSA-N 0 1 392.489 0.408 20 0 GCADMN CC(C)CC(C)(C)C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574127791 949619438 /nfs/dbraw/zinc/61/94/38/949619438.db2.gz KGKHYLUFHFOUCD-CYBMUJFWSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@@]1(C(=O)N2CCCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001575547315 949625932 /nfs/dbraw/zinc/62/59/32/949625932.db2.gz XGBRFPDQSKPLDS-SCLBCKFNSA-N 0 1 387.444 0.140 20 0 GCADMN C[C@]1(C(=O)N2CCCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001575547477 949626365 /nfs/dbraw/zinc/62/63/65/949626365.db2.gz XGBRFPDQSKPLDS-UGSOOPFHSA-N 0 1 387.444 0.140 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573813198 949627250 /nfs/dbraw/zinc/62/72/50/949627250.db2.gz WSXDMGMHFUATFP-DGCLKSJQSA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573813198 949627264 /nfs/dbraw/zinc/62/72/64/949627264.db2.gz WSXDMGMHFUATFP-DGCLKSJQSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574714562 949634227 /nfs/dbraw/zinc/63/42/27/949634227.db2.gz FKYAMGDKNVEOGE-NWDGAFQWSA-N 0 1 384.448 0.265 20 0 GCADMN CC1(C(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575547671 949634171 /nfs/dbraw/zinc/63/41/71/949634171.db2.gz BVGQZSYYSWGRGO-ZDUSSCGKSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574957825 949637292 /nfs/dbraw/zinc/63/72/92/949637292.db2.gz AGJAEXIAGRPNSQ-JHJVBQTASA-N 0 1 381.444 0.740 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876135 949641015 /nfs/dbraw/zinc/64/10/15/949641015.db2.gz WZOCBUUTFMMSCD-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876135 949641027 /nfs/dbraw/zinc/64/10/27/949641027.db2.gz WZOCBUUTFMMSCD-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575272418 949645370 /nfs/dbraw/zinc/64/53/70/949645370.db2.gz QOOZLOLEQROXHX-KGLIPLIRSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575272418 949645376 /nfs/dbraw/zinc/64/53/76/949645376.db2.gz QOOZLOLEQROXHX-KGLIPLIRSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](NC(=O)CCCc1ccccn1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575272982 949654393 /nfs/dbraw/zinc/65/43/93/949654393.db2.gz UFJSVDNWULEPNH-CHWSQXEVSA-N 0 1 381.444 0.802 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001573815966 949664845 /nfs/dbraw/zinc/66/48/45/949664845.db2.gz MZEBGYCAACQGSA-HWPZZCPQSA-N 0 1 378.412 0.150 20 0 GCADMN CC1(C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575548349 949668587 /nfs/dbraw/zinc/66/85/87/949668587.db2.gz XUOFPMPJADSQQO-CYBMUJFWSA-N 0 1 387.444 0.140 20 0 GCADMN C[C@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574958404 949669282 /nfs/dbraw/zinc/66/92/82/949669282.db2.gz QPZSAOPMQSHDAE-KXEKKFMESA-N 0 1 383.865 0.954 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575877819 949672481 /nfs/dbraw/zinc/67/24/81/949672481.db2.gz NLGPEFDULDQUJJ-KBPBESRZSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575877819 949672492 /nfs/dbraw/zinc/67/24/92/949672492.db2.gz NLGPEFDULDQUJJ-KBPBESRZSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575548393 949675058 /nfs/dbraw/zinc/67/50/58/949675058.db2.gz ZDUBVNHBWXVOLB-YVEFUNNKSA-N 0 1 392.485 0.672 20 0 GCADMN C[C@@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575548393 949675076 /nfs/dbraw/zinc/67/50/76/949675076.db2.gz ZDUBVNHBWXVOLB-YVEFUNNKSA-N 0 1 392.485 0.672 20 0 GCADMN C[C@H]1CCCCN1C(=O)CNC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001576169404 949677637 /nfs/dbraw/zinc/67/76/37/949677637.db2.gz XTPOEGWCFOMNCO-LBPRGKRZSA-N 0 1 386.460 0.448 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)CCCOC1 ZINC001575552181 949678943 /nfs/dbraw/zinc/67/89/43/949678943.db2.gz BIUBEYHITFNKJA-BIENJYKASA-N 0 1 383.456 0.973 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2ccon2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575878805 949680672 /nfs/dbraw/zinc/68/06/72/949680672.db2.gz PGKWKHJAHGJGJM-AAEUAGOBSA-N 0 1 383.416 0.751 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)NC(N)=O ZINC001574477928 949686046 /nfs/dbraw/zinc/68/60/46/949686046.db2.gz WKDCHPJZFSRCHE-SWLSCSKDSA-N 0 1 386.460 0.346 20 0 GCADMN CC(C)CC(C)(C)C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574132282 949689586 /nfs/dbraw/zinc/68/95/86/949689586.db2.gz UTEQTPUDSACXPR-SFHVURJKSA-N 0 1 388.476 0.786 20 0 GCADMN C[C@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575275844 949702185 /nfs/dbraw/zinc/70/21/85/949702185.db2.gz FAUXJNZURSHCGB-RYUDHWBXSA-N 0 1 382.428 0.722 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cccnc1 ZINC001573817762 949703284 /nfs/dbraw/zinc/70/32/84/949703284.db2.gz AUUHWKNWWPDSMW-CYBMUJFWSA-N 0 1 381.444 0.659 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573817704 949703589 /nfs/dbraw/zinc/70/35/89/949703589.db2.gz AIVSCCMJPIBYML-SMDDNHRTSA-N 0 1 386.460 0.153 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001573817710 949705155 /nfs/dbraw/zinc/70/51/55/949705155.db2.gz AJVRGRNZNWQMGB-VIFPVBQESA-N 0 1 391.823 0.977 20 0 GCADMN C[C@@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170231 949707711 /nfs/dbraw/zinc/70/77/11/949707711.db2.gz LBYQWHVBQPOFAN-KGLIPLIRSA-N 0 1 388.476 0.528 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CCN(Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCNC1=O ZINC001575557160 949708540 /nfs/dbraw/zinc/70/85/40/949708540.db2.gz BWBISWFTMUXRRQ-QINHECLXSA-N 0 1 395.467 0.426 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2nc[nH]n2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575881259 949712166 /nfs/dbraw/zinc/71/21/66/949712166.db2.gz WVTGEHHNMPTCJZ-YPMHNXCESA-N 0 1 382.432 0.486 20 0 GCADMN CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574133479 949712654 /nfs/dbraw/zinc/71/26/54/949712654.db2.gz FATFSVYDJIQGDK-KBPBESRZSA-N 0 1 375.477 0.987 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573818193 949721409 /nfs/dbraw/zinc/72/14/09/949721409.db2.gz ICZBMSOOBJASTO-CYBMUJFWSA-N 0 1 383.416 0.436 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573818209 949722978 /nfs/dbraw/zinc/72/29/78/949722978.db2.gz IHJDRXHPSZWDHA-CYBMUJFWSA-N 0 1 383.416 0.436 20 0 GCADMN C[C@]1(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)CCOC1 ZINC001575557381 949723328 /nfs/dbraw/zinc/72/33/28/949723328.db2.gz INBZSCHQPLUXNI-UGSOOPFHSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717133 949729041 /nfs/dbraw/zinc/72/90/41/949729041.db2.gz URIFAWOVMGCNQL-WDEREUQCSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717133 949729051 /nfs/dbraw/zinc/72/90/51/949729051.db2.gz URIFAWOVMGCNQL-WDEREUQCSA-N 0 1 377.474 0.533 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1nccnc1N ZINC001573818734 949742405 /nfs/dbraw/zinc/74/24/05/949742405.db2.gz OZZXZTYOCKMYKF-LBPRGKRZSA-N 0 1 382.432 0.312 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CCCC1=O ZINC001573818702 949742686 /nfs/dbraw/zinc/74/26/86/949742686.db2.gz OKDNOADCMPGEFA-CQSZACIVSA-N 0 1 386.460 0.249 20 0 GCADMN CC(C)(C)[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573818984 949744228 /nfs/dbraw/zinc/74/42/28/949744228.db2.gz QEWXDGKQECCLOQ-ZDUSSCGKSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)(C)[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573818984 949744243 /nfs/dbraw/zinc/74/42/43/949744243.db2.gz QEWXDGKQECCLOQ-ZDUSSCGKSA-N 0 1 385.476 0.695 20 0 GCADMN CC1(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575558873 949747050 /nfs/dbraw/zinc/74/70/50/949747050.db2.gz SWGJBTKGRLDMDU-JTQLQIEISA-N 0 1 378.387 0.821 20 0 GCADMN C[C@@H](CC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574480219 949747991 /nfs/dbraw/zinc/74/79/91/949747991.db2.gz HLRGXXKRLYUIAQ-JTQLQIEISA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)NC(N)=O ZINC001574480219 949748013 /nfs/dbraw/zinc/74/80/13/949748013.db2.gz HLRGXXKRLYUIAQ-JTQLQIEISA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574963362 949748652 /nfs/dbraw/zinc/74/86/52/949748652.db2.gz ITNRZPCHPPAZIL-RNFRBKRXSA-N 0 1 384.853 0.419 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574963760 949760223 /nfs/dbraw/zinc/76/02/23/949760223.db2.gz MQMJGNXHQWLHRF-IINYFYTJSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882297 949764748 /nfs/dbraw/zinc/76/47/48/949764748.db2.gz ILMQHANWZOLQCO-JQWIXIFHSA-N 0 1 385.457 0.829 20 0 GCADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1ccn(C)n1 ZINC001576171481 949767465 /nfs/dbraw/zinc/76/74/65/949767465.db2.gz RDLHGZHHCJTLEZ-LRDDRELGSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1ccn(C)n1 ZINC001576171480 949769422 /nfs/dbraw/zinc/76/94/22/949769422.db2.gz RDLHGZHHCJTLEZ-BLLLJJGKSA-N 0 1 383.460 0.959 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CO[C@H]1CCOC1 ZINC001573820699 949769762 /nfs/dbraw/zinc/76/97/62/949769762.db2.gz YXNWWYMYRDDVJL-WFASDCNBSA-N 0 1 389.460 0.432 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574964224 949770482 /nfs/dbraw/zinc/77/04/82/949770482.db2.gz SBKKDUSDQGCXOM-XHDPSFHLSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574481381 949774421 /nfs/dbraw/zinc/77/44/21/949774421.db2.gz PAMFORQMTGTWTD-KGLIPLIRSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574718327 949778072 /nfs/dbraw/zinc/77/80/72/949778072.db2.gz ZVTUNMKYNDIODY-SMDDNHRTSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718441 949780267 /nfs/dbraw/zinc/78/02/67/949780267.db2.gz XIIZTVHOASGACD-GHMZBOCLSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718441 949780284 /nfs/dbraw/zinc/78/02/84/949780284.db2.gz XIIZTVHOASGACD-GHMZBOCLSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718443 949782230 /nfs/dbraw/zinc/78/22/30/949782230.db2.gz XIIZTVHOASGACD-QWRGUYRKSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718443 949782250 /nfs/dbraw/zinc/78/22/50/949782250.db2.gz XIIZTVHOASGACD-QWRGUYRKSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2ccncc2-c2nn[nH]n2)C3)CCOC1 ZINC001575560325 949783077 /nfs/dbraw/zinc/78/30/77/949783077.db2.gz OETDKOLBYOOOJT-UYEXUUECSA-N 0 1 383.456 0.950 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171827 949783727 /nfs/dbraw/zinc/78/37/27/949783727.db2.gz SZKKXQYKACNNEH-OLZOCXBDSA-N 0 1 382.432 0.014 20 0 GCADMN C[C@@]1(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CCOC1 ZINC001575560571 949792366 /nfs/dbraw/zinc/79/23/66/949792366.db2.gz SDUDLYNSUTXCAI-SJKOYZFVSA-N 0 1 384.444 0.558 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CCNCc1cnon1 ZINC001576172133 949796614 /nfs/dbraw/zinc/79/66/14/949796614.db2.gz VOELMSHNQSKWPV-IAQYHMDHSA-N 0 1 385.432 0.998 20 0 GCADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172547 949805681 /nfs/dbraw/zinc/80/56/81/949805681.db2.gz WUDBPGHQEQTGDL-ZIAGYGMSSA-N 0 1 387.492 0.459 20 0 GCADMN C[C@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575883655 949824868 /nfs/dbraw/zinc/82/48/68/949824868.db2.gz SCBSITHUHVGBFI-AAEUAGOBSA-N 0 1 382.432 0.106 20 0 GCADMN C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574965977 949828765 /nfs/dbraw/zinc/82/87/65/949828765.db2.gz QPWUVBASTNPQNU-SNVBAGLBSA-N 0 1 384.448 0.932 20 0 GCADMN C[C@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574722689 949842250 /nfs/dbraw/zinc/84/22/50/949842250.db2.gz VMVUXNPTEXDRGW-GFCCVEGCSA-N 0 1 388.476 0.495 20 0 GCADMN CC(C)(C)C1CC(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573823897 949845815 /nfs/dbraw/zinc/84/58/15/949845815.db2.gz AZPQJIFWVDOEIH-UHFFFAOYSA-N 0 1 387.488 0.989 20 0 GCADMN C[C@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574966304 949847036 /nfs/dbraw/zinc/84/70/36/949847036.db2.gz WUNWWEOAIRJGPZ-SNVBAGLBSA-N 0 1 382.432 0.310 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177755 949857529 /nfs/dbraw/zinc/85/75/29/949857529.db2.gz BIIBRLZZTFOLQU-NWDGAFQWSA-N 0 1 380.416 0.221 20 0 GCADMN CC(C)C[C@@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574142186 949860366 /nfs/dbraw/zinc/86/03/66/949860366.db2.gz XALQNUBALIVDGZ-ACJLOTCBSA-N 0 1 388.476 0.786 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574724579 949873575 /nfs/dbraw/zinc/87/35/75/949873575.db2.gz HSEJVHNMEJHWLJ-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574724579 949873582 /nfs/dbraw/zinc/87/35/82/949873582.db2.gz HSEJVHNMEJHWLJ-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574724579 949873600 /nfs/dbraw/zinc/87/36/00/949873600.db2.gz HSEJVHNMEJHWLJ-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574724579 949873619 /nfs/dbraw/zinc/87/36/19/949873619.db2.gz HSEJVHNMEJHWLJ-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178011 949874151 /nfs/dbraw/zinc/87/41/51/949874151.db2.gz AMJYELFXAQJVCZ-AAEUAGOBSA-N 0 1 383.416 0.810 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178039 949875808 /nfs/dbraw/zinc/87/58/08/949875808.db2.gz AOYHQWIBIYTSMX-UWVGGRQHSA-N 0 1 386.445 0.283 20 0 GCADMN CC(C)C[C@@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574143342 949888919 /nfs/dbraw/zinc/88/89/19/949888919.db2.gz GOBLLECIUNCLGW-WFASDCNBSA-N 0 1 388.476 0.550 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001589666900 949899738 /nfs/dbraw/zinc/89/97/38/949899738.db2.gz FCYOYIPEKPZTRC-VXGBXAGGSA-N 0 1 395.460 0.622 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c(=O)[nH]c1=O ZINC001589666900 949899758 /nfs/dbraw/zinc/89/97/58/949899758.db2.gz FCYOYIPEKPZTRC-VXGBXAGGSA-N 0 1 395.460 0.622 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574725637 949902916 /nfs/dbraw/zinc/90/29/16/949902916.db2.gz UOCJZTPIAFLREY-LBPRGKRZSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725637 949902936 /nfs/dbraw/zinc/90/29/36/949902936.db2.gz UOCJZTPIAFLREY-LBPRGKRZSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725637 949902953 /nfs/dbraw/zinc/90/29/53/949902953.db2.gz UOCJZTPIAFLREY-LBPRGKRZSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284545 949905314 /nfs/dbraw/zinc/90/53/14/949905314.db2.gz JHZLQRAEDKZJLR-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284545 949905328 /nfs/dbraw/zinc/90/53/28/949905328.db2.gz JHZLQRAEDKZJLR-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001575284540 949906187 /nfs/dbraw/zinc/90/61/87/949906187.db2.gz JHZLQRAEDKZJLR-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001575284540 949906201 /nfs/dbraw/zinc/90/62/01/949906201.db2.gz JHZLQRAEDKZJLR-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725696 949909027 /nfs/dbraw/zinc/90/90/27/949909027.db2.gz BBZMYOFLAFPZOL-GFCCVEGCSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725696 949909043 /nfs/dbraw/zinc/90/90/43/949909043.db2.gz BBZMYOFLAFPZOL-GFCCVEGCSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574484909 949910231 /nfs/dbraw/zinc/91/02/31/949910231.db2.gz RPDITHDQWMITTF-NEPJUHHUSA-N 0 1 387.448 0.136 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574484985 949913212 /nfs/dbraw/zinc/91/32/12/949913212.db2.gz TYPJONUZDUEIHR-UONOGXRCSA-N 0 1 381.444 0.934 20 0 GCADMN CC(C)C[C@H](CNC(=O)[C@H]1CCCN1C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574144551 949914973 /nfs/dbraw/zinc/91/49/73/949914973.db2.gz OVAAMRHZULSFEY-UKRRQHHQSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001574488093 949943957 /nfs/dbraw/zinc/94/39/57/949943957.db2.gz DIXNLJAKXVFWIA-BLLLJJGKSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574727051 949947617 /nfs/dbraw/zinc/94/76/17/949947617.db2.gz OHYSJOLHQMMNQP-LBPRGKRZSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180462 949953792 /nfs/dbraw/zinc/95/37/92/949953792.db2.gz IFWQIPZDYOZMQX-LRDDRELGSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574488448 949954172 /nfs/dbraw/zinc/95/41/72/949954172.db2.gz GHLBQSLXSNIYOP-OPRDCNLKSA-N 0 1 384.366 0.926 20 0 GCADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180503 949961727 /nfs/dbraw/zinc/96/17/27/949961727.db2.gz DONSJODEILTLDF-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180501 949962168 /nfs/dbraw/zinc/96/21/68/949962168.db2.gz DONSJODEILTLDF-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)CN1CCCC1 ZINC001574147965 949963953 /nfs/dbraw/zinc/96/39/53/949963953.db2.gz HJAHJJXJSPMFGF-ZDUSSCGKSA-N 0 1 388.476 0.551 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575285985 949964106 /nfs/dbraw/zinc/96/41/06/949964106.db2.gz SAIGOAKFNJTMRZ-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575285985 949964116 /nfs/dbraw/zinc/96/41/16/949964116.db2.gz SAIGOAKFNJTMRZ-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575285985 949964135 /nfs/dbraw/zinc/96/41/35/949964135.db2.gz SAIGOAKFNJTMRZ-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575285985 949964155 /nfs/dbraw/zinc/96/41/55/949964155.db2.gz SAIGOAKFNJTMRZ-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180810 949969118 /nfs/dbraw/zinc/96/91/18/949969118.db2.gz JFLRHKYMXIGHEV-LRDDRELGSA-N 0 1 381.444 0.770 20 0 GCADMN CC(C)(C)CC(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573830012 949971646 /nfs/dbraw/zinc/97/16/46/949971646.db2.gz HHVHASGTUDUQRT-CYBMUJFWSA-N 0 1 388.476 0.883 20 0 GCADMN C[C@@H](NC(=O)CN1CCCC1=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575286253 949973771 /nfs/dbraw/zinc/97/37/71/949973771.db2.gz UZVRVCRISIUDBO-CYBMUJFWSA-N 0 1 383.456 0.426 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180853 949974417 /nfs/dbraw/zinc/97/44/17/949974417.db2.gz FVAWUXPBBNOMFL-ZIAGYGMSSA-N 0 1 387.492 0.317 20 0 GCADMN C[C@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575286392 949977479 /nfs/dbraw/zinc/97/74/79/949977479.db2.gz VUMJOWKSMAVIDX-STQMWFEESA-N 0 1 386.460 0.391 20 0 GCADMN C[C@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180903 949977663 /nfs/dbraw/zinc/97/76/63/949977663.db2.gz FYZQUUIBUOZQRT-JSGCOSHPSA-N 0 1 384.444 0.669 20 0 GCADMN C[C@@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574727759 949983272 /nfs/dbraw/zinc/98/32/72/949983272.db2.gz YYRWTVJXRJMWBR-NSHDSACASA-N 0 1 386.391 0.556 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180998 949984042 /nfs/dbraw/zinc/98/40/42/949984042.db2.gz QYZLRYAKRAJMMJ-QMTHXVAHSA-N 0 1 385.407 0.899 20 0 GCADMN C[C@H](CN(C)C(=O)COc1ccc(F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574727758 949986272 /nfs/dbraw/zinc/98/62/72/949986272.db2.gz YYRWTVJXRJMWBR-LLVKDONJSA-N 0 1 386.391 0.556 20 0 GCADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1CCCN1C ZINC001574148716 949989575 /nfs/dbraw/zinc/98/95/75/949989575.db2.gz PAXFAEQPVKGZQW-DOMZBBRYSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](CC(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574490448 949994700 /nfs/dbraw/zinc/99/47/00/949994700.db2.gz RWWVSRXCMBSIOU-ZJUUUORDSA-N 0 1 392.489 0.312 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575891281 949995580 /nfs/dbraw/zinc/99/55/80/949995580.db2.gz HHIRKSMEHNYEFT-JQWIXIFHSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575573524 949997971 /nfs/dbraw/zinc/99/79/71/949997971.db2.gz MSUVAMXRYWPZTH-ZBEGNZNMSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 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ZHGWTTQRPIKKIF-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574491614 950038676 /nfs/dbraw/zinc/03/86/76/950038676.db2.gz DXMWAMKWCFLYQW-TZMCWYRMSA-N 0 1 379.428 0.940 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182589 950060400 /nfs/dbraw/zinc/06/04/00/950060400.db2.gz ORSNZGKOCAEHEG-NEPJUHHUSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574732919 950079627 /nfs/dbraw/zinc/07/96/27/950079627.db2.gz MSONRKKCZTYRHI-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574151525 950082750 /nfs/dbraw/zinc/08/27/50/950082750.db2.gz UKQXBTPHEKWUJP-YPMHNXCESA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574151525 950082772 /nfs/dbraw/zinc/08/27/72/950082772.db2.gz UKQXBTPHEKWUJP-YPMHNXCESA-N 0 1 391.501 0.827 20 0 GCADMN 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ZINC000262455295 950129722 /nfs/dbraw/zinc/12/97/22/950129722.db2.gz FFCBXGFGSAAYLZ-UAGQMJEPSA-N 0 1 389.452 0.885 20 0 GCADMN CC(C)(C)CC(C)(C)C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573839325 950131347 /nfs/dbraw/zinc/13/13/47/950131347.db2.gz QMYARFSMAQBLFD-NSHDSACASA-N 0 1 376.465 0.430 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576184608 950132077 /nfs/dbraw/zinc/13/20/77/950132077.db2.gz WVOGAMUVOPUZQW-HZMBPMFUSA-N 0 1 383.416 0.589 20 0 GCADMN C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184460 950132365 /nfs/dbraw/zinc/13/23/65/950132365.db2.gz VTZKOSVWOVWUPW-OCCSQVGLSA-N 0 1 384.444 0.322 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576184610 950133359 /nfs/dbraw/zinc/13/33/59/950133359.db2.gz WVOGAMUVOPUZQW-IINYFYTJSA-N 0 1 383.416 0.589 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184677 950136881 /nfs/dbraw/zinc/13/68/81/950136881.db2.gz WXWJKRAMOFAEOF-ZIAGYGMSSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184677 950136895 /nfs/dbraw/zinc/13/68/95/950136895.db2.gz WXWJKRAMOFAEOF-ZIAGYGMSSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2ccncc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575898402 950153861 /nfs/dbraw/zinc/15/38/61/950153861.db2.gz SCSNUGZMVJSVGP-GWCFXTLKSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190536 950164539 /nfs/dbraw/zinc/16/45/39/950164539.db2.gz AKRDXNTXEOMCIF-VXGBXAGGSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574738225 950166787 /nfs/dbraw/zinc/16/67/87/950166787.db2.gz CUXHNFOOGVMYIC-JTQLQIEISA-N 0 1 386.391 0.339 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574154336 950168587 /nfs/dbraw/zinc/16/85/87/950168587.db2.gz DHUAPIVCDGBBSH-ACJLOTCBSA-N 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C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574982524 950170472 /nfs/dbraw/zinc/17/04/72/950170472.db2.gz DXJZNROPIJHREH-WDEREUQCSA-N 0 1 385.432 0.279 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574982600 950176542 /nfs/dbraw/zinc/17/65/42/950176542.db2.gz FBZQEPIUMUKIHZ-SNVBAGLBSA-N 0 1 388.407 0.695 20 0 GCADMN CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001573843428 950177700 /nfs/dbraw/zinc/17/77/00/950177700.db2.gz XRMQUJHAHMWJAW-VXGBXAGGSA-N 0 1 388.476 0.785 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc2n(n1)CCCC2 ZINC001574738817 950178422 /nfs/dbraw/zinc/17/84/22/950178422.db2.gz ICUOLDPATUPQGF-GFCCVEGCSA-N 0 1 383.460 0.978 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191094 950183738 /nfs/dbraw/zinc/18/37/38/950183738.db2.gz DNGCTGMRSQKHJD-OLZOCXBDSA-N 0 1 381.444 0.627 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574155487 950191692 /nfs/dbraw/zinc/19/16/92/950191692.db2.gz MACQYGFLWLRYMR-ZDUSSCGKSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574155458 950192998 /nfs/dbraw/zinc/19/29/98/950192998.db2.gz LPACYMPOLLNASR-KBPBESRZSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574155458 950193007 /nfs/dbraw/zinc/19/30/07/950193007.db2.gz LPACYMPOLLNASR-KBPBESRZSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574155458 950193018 /nfs/dbraw/zinc/19/30/18/950193018.db2.gz LPACYMPOLLNASR-KBPBESRZSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1([NH+](C)C)CCC1 ZINC001574155486 950193477 /nfs/dbraw/zinc/19/34/77/950193477.db2.gz MACQYGFLWLRYMR-CYBMUJFWSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574155475 950194046 /nfs/dbraw/zinc/19/40/46/950194046.db2.gz LVMAVUOEOMYXBO-ZDUSSCGKSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574155475 950194058 /nfs/dbraw/zinc/19/40/58/950194058.db2.gz LVMAVUOEOMYXBO-ZDUSSCGKSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ncccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575900265 950194240 /nfs/dbraw/zinc/19/42/40/950194240.db2.gz CZDSOQJTIVNOCN-PWSUYJOCSA-N 0 1 383.391 0.978 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574155565 950196309 /nfs/dbraw/zinc/19/63/09/950196309.db2.gz NURXMFQDUVSTMA-ZDUSSCGKSA-N 0 1 387.492 0.363 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900470 950199093 /nfs/dbraw/zinc/19/90/93/950199093.db2.gz FUEJBFAOUWCRJS-SMDDNHRTSA-N 0 1 382.432 0.173 20 0 GCADMN C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191577 950201271 /nfs/dbraw/zinc/20/12/71/950201271.db2.gz IMRDUMMORSHWPP-QWRGUYRKSA-N 0 1 385.407 0.756 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576191626 950203504 /nfs/dbraw/zinc/20/35/04/950203504.db2.gz HJQFUFINRAPNSO-IUODEOHRSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576191626 950203521 /nfs/dbraw/zinc/20/35/21/950203521.db2.gz HJQFUFINRAPNSO-IUODEOHRSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576191626 950203536 /nfs/dbraw/zinc/20/35/36/950203536.db2.gz HJQFUFINRAPNSO-IUODEOHRSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576191626 950203555 /nfs/dbraw/zinc/20/35/55/950203555.db2.gz HJQFUFINRAPNSO-IUODEOHRSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001576191677 950204757 /nfs/dbraw/zinc/20/47/57/950204757.db2.gz HRXOYOQSQVBHCG-ZDUSSCGKSA-N 0 1 387.463 0.990 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001576191677 950204775 /nfs/dbraw/zinc/20/47/75/950204775.db2.gz HRXOYOQSQVBHCG-ZDUSSCGKSA-N 0 1 387.463 0.990 20 0 GCADMN C[C@@H]1[C@@H](NCC(=O)Nc2ccon2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575900867 950205437 /nfs/dbraw/zinc/20/54/37/950205437.db2.gz IPCNMWRAXRKTSR-KOLCDFICSA-N 0 1 385.388 0.014 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC[NH+](C)CC1 ZINC001574155672 950207887 /nfs/dbraw/zinc/20/78/87/950207887.db2.gz PXYZGGSNTLHDGO-AWEZNQCLSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC[NH+](C)CC1 ZINC001574155672 950207898 /nfs/dbraw/zinc/20/78/98/950207898.db2.gz PXYZGGSNTLHDGO-AWEZNQCLSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C[N@@H+](C)C(C)C ZINC001574155717 950208078 /nfs/dbraw/zinc/20/80/78/950208078.db2.gz QUTKFDYDKDTSTR-ZDUSSCGKSA-N 0 1 375.481 0.362 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@H+](C)C(C)C ZINC001574155717 950208092 /nfs/dbraw/zinc/20/80/92/950208092.db2.gz QUTKFDYDKDTSTR-ZDUSSCGKSA-N 0 1 375.481 0.362 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+](C)C(C)C ZINC001574155717 950208109 /nfs/dbraw/zinc/20/81/09/950208109.db2.gz QUTKFDYDKDTSTR-ZDUSSCGKSA-N 0 1 375.481 0.362 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574155683 950208970 /nfs/dbraw/zinc/20/89/70/950208970.db2.gz QBTVGPYTXCWTFS-KGLIPLIRSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CNCc1cnn(C)n1 ZINC001576191790 950209055 /nfs/dbraw/zinc/20/90/55/950209055.db2.gz KHWVNJVLFJLHTF-AAEUAGOBSA-N 0 1 384.448 0.211 20 0 GCADMN C[C@@H]1[C@H](NCC(=O)Nc2ccon2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575900868 950210298 /nfs/dbraw/zinc/21/02/98/950210298.db2.gz IPCNMWRAXRKTSR-MWLCHTKSSA-N 0 1 385.388 0.014 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1CNCc1csnn1 ZINC001576192045 950224405 /nfs/dbraw/zinc/22/44/05/950224405.db2.gz LHBPYYPDGLGUPI-GHMZBOCLSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575901210 950226382 /nfs/dbraw/zinc/22/63/82/950226382.db2.gz MLMYCFHTTKSFEN-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574497357 950230736 /nfs/dbraw/zinc/23/07/36/950230736.db2.gz ZQUFQRDTVNQJTC-VXGBXAGGSA-N 0 1 376.465 0.430 20 0 GCADMN C[C@@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192329 950237292 /nfs/dbraw/zinc/23/72/92/950237292.db2.gz LVNSKURRUKZZKC-MNOVXSKESA-N 0 1 385.457 0.745 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157539 950241413 /nfs/dbraw/zinc/24/14/13/950241413.db2.gz CPTVVDMMWWLQSZ-LLVKDONJSA-N 0 1 383.416 0.436 20 0 GCADMN C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192373 950241908 /nfs/dbraw/zinc/24/19/08/950241908.db2.gz MCNMOKYHOYCGSS-QWRGUYRKSA-N 0 1 385.407 0.756 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574157654 950245639 /nfs/dbraw/zinc/24/56/39/950245639.db2.gz FZBHBCVVPYFXRW-STQMWFEESA-N 0 1 387.444 0.580 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574984004 950250578 /nfs/dbraw/zinc/25/05/78/950250578.db2.gz VATPCVXWVVUIRF-VIFPVBQESA-N 0 1 376.446 0.618 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574984004 950250596 /nfs/dbraw/zinc/25/05/96/950250596.db2.gz VATPCVXWVVUIRF-VIFPVBQESA-N 0 1 376.446 0.618 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cncn2C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192592 950257858 /nfs/dbraw/zinc/25/78/58/950257858.db2.gz NTZWLOHANYYYQU-VXGBXAGGSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575902450 950259679 /nfs/dbraw/zinc/25/96/79/950259679.db2.gz UZURGGRZVDROAH-FZMZJTMJSA-N 0 1 382.432 0.173 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574157974 950261622 /nfs/dbraw/zinc/26/16/22/950261622.db2.gz MADGLKNTEGSOQK-VXGBXAGGSA-N 0 1 389.464 0.073 20 0 GCADMN CC(C)(C)OC(=O)CN1CCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001573850047 950262581 /nfs/dbraw/zinc/26/25/81/950262581.db2.gz DZHXGRMQLLYCAI-LLVKDONJSA-N 0 1 388.432 0.213 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192804 950264834 /nfs/dbraw/zinc/26/48/34/950264834.db2.gz PFBKONLZIOHFIG-WCQYABFASA-N 0 1 380.416 0.079 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574158049 950266848 /nfs/dbraw/zinc/26/68/48/950266848.db2.gz NJRKZGFQKYFMFJ-NSHDSACASA-N 0 1 383.416 0.024 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC1OCCCO1 ZINC001574158067 950269637 /nfs/dbraw/zinc/26/96/37/950269637.db2.gz NUZOHKNUXGSWLO-CYBMUJFWSA-N 0 1 389.460 0.780 20 0 GCADMN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574742149 950270757 /nfs/dbraw/zinc/27/07/57/950270757.db2.gz MLHXUDXCZRQALT-ZMZPIMSZSA-N 0 1 389.435 0.611 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574158304 950277245 /nfs/dbraw/zinc/27/72/45/950277245.db2.gz QLXLGJCGXRHSIO-IUODEOHRSA-N 0 1 386.460 0.247 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ncccc1F ZINC001574158317 950277918 /nfs/dbraw/zinc/27/79/18/950277918.db2.gz QTIBCXIAIWMFBG-NSHDSACASA-N 0 1 385.407 0.869 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575904839 950284980 /nfs/dbraw/zinc/28/49/80/950284980.db2.gz AVCPIVZWVLXIPY-RISCZKNCSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575904839 950284999 /nfs/dbraw/zinc/28/49/99/950284999.db2.gz AVCPIVZWVLXIPY-RISCZKNCSA-N 0 1 386.485 0.983 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cscn1 ZINC001574158779 950287905 /nfs/dbraw/zinc/28/79/05/950287905.db2.gz SKYPCSTWCLFYDX-NSHDSACASA-N 0 1 387.473 0.721 20 0 GCADMN C[C@@]1(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCC(=O)NC1 ZINC001575592367 950288259 /nfs/dbraw/zinc/28/82/59/950288259.db2.gz AFCHZJHEDAGMFA-LJQANCHMSA-N 0 1 383.456 0.331 20 0 GCADMN C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193302 950290603 /nfs/dbraw/zinc/29/06/03/950290603.db2.gz SJBPAXBHMYKVLK-JSGCOSHPSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193304 950290813 /nfs/dbraw/zinc/29/08/13/950290813.db2.gz SJBPAXBHMYKVLK-TZMCWYRMSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193608 950307196 /nfs/dbraw/zinc/30/71/96/950307196.db2.gz UTTJXKSFNZKXQJ-VHSXEESVSA-N 0 1 386.395 0.151 20 0 GCADMN C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574500023 950308632 /nfs/dbraw/zinc/30/86/32/950308632.db2.gz XWSLVHYFHVCMPH-IDKOKCKLSA-N 0 1 384.366 0.974 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001574159666 950310569 /nfs/dbraw/zinc/31/05/69/950310569.db2.gz XSQNPKSQABDCME-GFCCVEGCSA-N 0 1 385.407 0.869 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193694 950311825 /nfs/dbraw/zinc/31/18/25/950311825.db2.gz VKNGIDYJUNLQRH-RYUDHWBXSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CNCc1csnn1 ZINC001576193766 950318855 /nfs/dbraw/zinc/31/88/55/950318855.db2.gz WZTCXJRCZOHWHL-CMPLNLGQSA-N 0 1 387.473 0.934 20 0 GCADMN CC(C)C[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)Cc1nnc[nH]1 ZINC001574159809 950320179 /nfs/dbraw/zinc/32/01/79/950320179.db2.gz JMNNFWYAOPHRKU-LLVKDONJSA-N 0 1 388.411 0.704 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)n1cncn1 ZINC001574159870 950323249 /nfs/dbraw/zinc/32/32/49/950323249.db2.gz YWQKBFLFOJYINE-CHWSQXEVSA-N 0 1 384.448 0.479 20 0 GCADMN CC(C)C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)Cc1nnc[nH]1 ZINC001574159810 950323548 /nfs/dbraw/zinc/32/35/48/950323548.db2.gz JMNNFWYAOPHRKU-NSHDSACASA-N 0 1 388.411 0.704 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](Cn1cc(-c3nn[nH]n3)nn1)OC2=O ZINC001573853507 950325444 /nfs/dbraw/zinc/32/54/44/950325444.db2.gz QKMFCTXLOWBQBU-VIFPVBQESA-N 0 1 376.377 0.011 20 0 GCADMN CC1CCN(CC(=O)N(C)C[C@@H](O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576194203 950332222 /nfs/dbraw/zinc/33/22/22/950332222.db2.gz XNWLQVDLIBNMPN-HNNXBMFYSA-N 0 1 388.476 0.225 20 0 GCADMN C[C@H]1[C@H](NCc2cc3n(n2)CCC3)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575907619 950338361 /nfs/dbraw/zinc/33/83/61/950338361.db2.gz PQQXDIDVVPBELC-SMDDNHRTSA-N 0 1 381.444 0.730 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1nccnc1N ZINC001575907622 950339098 /nfs/dbraw/zinc/33/90/98/950339098.db2.gz PUDCZHXGYFAVSC-MWLCHTKSSA-N 0 1 385.457 0.693 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1nccnc1N ZINC001575907622 950339120 /nfs/dbraw/zinc/33/91/20/950339120.db2.gz PUDCZHXGYFAVSC-MWLCHTKSSA-N 0 1 385.457 0.693 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574501843 950346811 /nfs/dbraw/zinc/34/68/11/950346811.db2.gz GXQPCOFHZDOOEX-GHMZBOCLSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574501843 950346827 /nfs/dbraw/zinc/34/68/27/950346827.db2.gz GXQPCOFHZDOOEX-GHMZBOCLSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574501843 950346845 /nfs/dbraw/zinc/34/68/45/950346845.db2.gz GXQPCOFHZDOOEX-GHMZBOCLSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574501843 950346867 /nfs/dbraw/zinc/34/68/67/950346867.db2.gz GXQPCOFHZDOOEX-GHMZBOCLSA-N 0 1 392.489 0.313 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576196263 950354777 /nfs/dbraw/zinc/35/47/77/950354777.db2.gz BVAKXIBRLDYGNC-AWEZNQCLSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196446 950361159 /nfs/dbraw/zinc/36/11/59/950361159.db2.gz DUCOMZZHRXHZNU-UGSOOPFHSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196446 950361174 /nfs/dbraw/zinc/36/11/74/950361174.db2.gz DUCOMZZHRXHZNU-UGSOOPFHSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196446 950361193 /nfs/dbraw/zinc/36/11/93/950361193.db2.gz DUCOMZZHRXHZNU-UGSOOPFHSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196446 950361210 /nfs/dbraw/zinc/36/12/10/950361210.db2.gz DUCOMZZHRXHZNU-UGSOOPFHSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196282 950362476 /nfs/dbraw/zinc/36/24/76/950362476.db2.gz CGAOPXTUJSGEFB-KGLIPLIRSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574161598 950363322 /nfs/dbraw/zinc/36/33/22/950363322.db2.gz WKVSDAQFWZHXBH-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574161598 950363336 /nfs/dbraw/zinc/36/33/36/950363336.db2.gz WKVSDAQFWZHXBH-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574161598 950363358 /nfs/dbraw/zinc/36/33/58/950363358.db2.gz WKVSDAQFWZHXBH-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574161598 950363383 /nfs/dbraw/zinc/36/33/83/950363383.db2.gz WKVSDAQFWZHXBH-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)Nc1ccccc1 ZINC001574744954 950367897 /nfs/dbraw/zinc/36/78/97/950367897.db2.gz CSYMVQINZQCQBZ-LBPRGKRZSA-N 0 1 382.428 0.884 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196773 950372680 /nfs/dbraw/zinc/37/26/80/950372680.db2.gz HSSWOFHFCADWNN-KGLIPLIRSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC001574990696 950376260 /nfs/dbraw/zinc/37/62/60/950376260.db2.gz FECCKJSNGKULDB-SNVBAGLBSA-N 0 1 386.464 0.861 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001576196937 950380567 /nfs/dbraw/zinc/38/05/67/950380567.db2.gz JNWIBOOPUWKHHC-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001576196937 950380588 /nfs/dbraw/zinc/38/05/88/950380588.db2.gz JNWIBOOPUWKHHC-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001576197228 950381895 /nfs/dbraw/zinc/38/18/95/950381895.db2.gz LNUIEZMKNLKYOK-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001576197228 950381912 /nfs/dbraw/zinc/38/19/12/950381912.db2.gz LNUIEZMKNLKYOK-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001576197228 950381931 /nfs/dbraw/zinc/38/19/31/950381931.db2.gz LNUIEZMKNLKYOK-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001576197228 950381947 /nfs/dbraw/zinc/38/19/47/950381947.db2.gz LNUIEZMKNLKYOK-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CS(C)(=O)=O ZINC001575908888 950384609 /nfs/dbraw/zinc/38/46/09/950384609.db2.gz WUYXAJDFRKMNME-GXSJLCMTSA-N 0 1 384.487 0.052 20 0 GCADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001573855573 950384668 /nfs/dbraw/zinc/38/46/68/950384668.db2.gz YKVPFVBMKBAZFC-LOWDOPEQSA-N 0 1 386.460 0.395 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001576197226 950386207 /nfs/dbraw/zinc/38/62/07/950386207.db2.gz LNUIEZMKNLKYOK-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nnn[n-]2)C1 ZINC001576197226 950386227 /nfs/dbraw/zinc/38/62/27/950386227.db2.gz LNUIEZMKNLKYOK-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001576197226 950386251 /nfs/dbraw/zinc/38/62/51/950386251.db2.gz LNUIEZMKNLKYOK-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2nccnc2-c2nn[n-]n2)C1 ZINC001576197226 950386272 /nfs/dbraw/zinc/38/62/72/950386272.db2.gz LNUIEZMKNLKYOK-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576197406 950388276 /nfs/dbraw/zinc/38/82/76/950388276.db2.gz NERWYMSGHKQUQW-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576197406 950388295 /nfs/dbraw/zinc/38/82/95/950388295.db2.gz NERWYMSGHKQUQW-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)CO1 ZINC001573856687 950389625 /nfs/dbraw/zinc/38/96/25/950389625.db2.gz GHCCVXGIOIEMIA-SNVBAGLBSA-N 0 1 376.373 0.853 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576197289 950389606 /nfs/dbraw/zinc/38/96/06/950389606.db2.gz MTSLCNYKGATMCL-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576197289 950389622 /nfs/dbraw/zinc/38/96/22/950389622.db2.gz MTSLCNYKGATMCL-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576197289 950389642 /nfs/dbraw/zinc/38/96/42/950389642.db2.gz MTSLCNYKGATMCL-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576197289 950389658 /nfs/dbraw/zinc/38/96/58/950389658.db2.gz MTSLCNYKGATMCL-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197442 950392019 /nfs/dbraw/zinc/39/20/19/950392019.db2.gz OAHJFQIZPVQXQU-KBPBESRZSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nn1C ZINC001574746305 950396093 /nfs/dbraw/zinc/39/60/93/950396093.db2.gz NJCRWOAOPVOKIM-LLVKDONJSA-N 0 1 384.448 0.508 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576197478 950397785 /nfs/dbraw/zinc/39/77/85/950397785.db2.gz OSPMSNGOOCMRKM-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576197478 950397805 /nfs/dbraw/zinc/39/78/05/950397805.db2.gz OSPMSNGOOCMRKM-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H](CC(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574503039 950399096 /nfs/dbraw/zinc/39/90/96/950399096.db2.gz SMYDVJNDYFSVAA-LLVKDONJSA-N 0 1 387.448 0.041 20 0 GCADMN CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001573857508 950407416 /nfs/dbraw/zinc/40/74/16/950407416.db2.gz SWHDNYCUFIVYEP-SECBINFHSA-N 0 1 378.393 0.554 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)Nc1nccs1 ZINC001574747236 950409524 /nfs/dbraw/zinc/40/95/24/950409524.db2.gz SLRFKHVAAIRRTN-SECBINFHSA-N 0 1 389.445 0.340 20 0 GCADMN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576198431 950409734 /nfs/dbraw/zinc/40/97/34/950409734.db2.gz SPPNDXIADPZALI-UKRRQHHQSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576198909 950412078 /nfs/dbraw/zinc/41/20/78/950412078.db2.gz WLNHHMZOKKUWRO-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576198909 950412090 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385.461 0.535 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575921679 950641432 /nfs/dbraw/zinc/64/14/32/950641432.db2.gz OEHXAGHBPLVPMD-PWSUYJOCSA-N 0 1 392.427 0.461 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001575922532 950644024 /nfs/dbraw/zinc/64/40/24/950644024.db2.gz PPWMFIYOVSXKNR-ZYHUDNBSSA-N 0 1 390.411 0.670 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574759730 950644518 /nfs/dbraw/zinc/64/45/18/950644518.db2.gz DKIGVKQBKOVUNS-LLVKDONJSA-N 0 1 384.448 0.508 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C(N)=O)cc1 ZINC001575922771 950649126 /nfs/dbraw/zinc/64/91/26/950649126.db2.gz AKJJJISVCPKKTI-NHYWBVRUSA-N 0 1 392.423 0.498 20 0 GCADMN C[C@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574518264 950649485 /nfs/dbraw/zinc/64/94/85/950649485.db2.gz MZPMAMFIQQZODT-OPRDCNLKSA-N 0 1 384.366 0.974 20 0 GCADMN 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950670002 /nfs/dbraw/zinc/67/00/02/950670002.db2.gz ACHZBQZKDVWJQL-NEPJUHHUSA-N 0 1 381.444 0.693 20 0 GCADMN CC[N@H+]1CCC[C@H](CNC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001589744918 950673255 /nfs/dbraw/zinc/67/32/55/950673255.db2.gz LAHFLZZRUVCSAS-KUHUBIRLSA-N 0 1 399.488 0.925 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncn1 ZINC001575925000 950677247 /nfs/dbraw/zinc/67/72/47/950677247.db2.gz GGNZIXJXYBJBSK-IUODEOHRSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576214600 950679541 /nfs/dbraw/zinc/67/95/41/950679541.db2.gz QPHJQLJCKWOZIA-IHRRRGAJSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576214600 950679553 /nfs/dbraw/zinc/67/95/53/950679553.db2.gz QPHJQLJCKWOZIA-IHRRRGAJSA-N 0 1 385.476 0.838 20 0 GCADMN CC1(C)CC(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575625437 950687304 /nfs/dbraw/zinc/68/73/04/950687304.db2.gz TXUFXMQPKQSCQY-ZDUSSCGKSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215125 950689948 /nfs/dbraw/zinc/68/99/48/950689948.db2.gz DESRVDSPBZRAKX-VXGBXAGGSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215120 950690420 /nfs/dbraw/zinc/69/04/20/950690420.db2.gz DESRVDSPBZRAKX-RYUDHWBXSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001575925756 950691378 /nfs/dbraw/zinc/69/13/78/950691378.db2.gz USPYBLVXXCWVEF-SFYZADRCSA-N 0 1 391.848 0.904 20 0 GCADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573878180 950699082 /nfs/dbraw/zinc/69/90/82/950699082.db2.gz KNUPLFSIVGIDRK-SEDUGSJDSA-N 0 1 386.460 0.396 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574761682 950702154 /nfs/dbraw/zinc/70/21/54/950702154.db2.gz VGWMTZZDHGCTKP-LLVKDONJSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576215662 950703565 /nfs/dbraw/zinc/70/35/65/950703565.db2.gz FSEGCLBLPPAXSX-GHMZBOCLSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215768 950707809 /nfs/dbraw/zinc/70/78/09/950707809.db2.gz GGWWUPTYXURFRA-NEPJUHHUSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575926549 950715978 /nfs/dbraw/zinc/71/59/78/950715978.db2.gz XOCJZNMSJGPUEK-KGLIPLIRSA-N 0 1 381.444 0.762 20 0 GCADMN CC(C)(C)c1cc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)no1 ZINC001573879567 950727263 /nfs/dbraw/zinc/72/72/63/950727263.db2.gz FWJNONIGTFNBJO-SNVBAGLBSA-N 0 1 386.416 0.172 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576216292 950729063 /nfs/dbraw/zinc/72/90/63/950729063.db2.gz DGJLPSHNTFYFPS-NXEZZACHSA-N 0 1 380.403 0.876 20 0 GCADMN C[C@H](CNC(=O)c1cc2cccn2cn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575006927 950731169 /nfs/dbraw/zinc/73/11/69/950731169.db2.gz XZJMXRSHBBCSHP-NSHDSACASA-N 0 1 378.400 0.204 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575927023 950732150 /nfs/dbraw/zinc/73/21/50/950732150.db2.gz ZSAJGPGQOKCKHS-IUCAKERBSA-N 0 1 390.358 0.385 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575927086 950736183 /nfs/dbraw/zinc/73/61/83/950736183.db2.gz NGWUTGASGYDXDG-BXUZGUMPSA-N 0 1 385.407 0.565 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764024 950742760 /nfs/dbraw/zinc/74/27/60/950742760.db2.gz PHFNTQNUQRNYFP-MRVPVSSYSA-N 0 1 378.347 0.243 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001576216887 950744568 /nfs/dbraw/zinc/74/45/68/950744568.db2.gz JWMMDNMLPASYNB-RYUDHWBXSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216971 950749180 /nfs/dbraw/zinc/74/91/80/950749180.db2.gz LEWWWWQUSXIEMW-VHSXEESVSA-N 0 1 382.432 0.157 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574181979 950752253 /nfs/dbraw/zinc/75/22/53/950752253.db2.gz RCQVSTBPPKADHT-LBPRGKRZSA-N 0 1 389.464 0.150 20 0 GCADMN CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574182074 950758713 /nfs/dbraw/zinc/75/87/13/950758713.db2.gz UBEXXPIWNOTSHE-LBPRGKRZSA-N 0 1 389.464 0.150 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574182790 950766841 /nfs/dbraw/zinc/76/68/41/950766841.db2.gz YTPLSZYSYGNTTA-JOCQHMNTSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@@H](CN(C)C(=O)c1coc(C(C)(C)C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574765024 950770508 /nfs/dbraw/zinc/77/05/08/950770508.db2.gz CAHZNQBEGFYYQI-JTQLQIEISA-N 0 1 385.432 0.937 20 0 GCADMN C[C@H](CN(C)[C@H]1CCN(C(C)(C)C)C1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765484 950789035 /nfs/dbraw/zinc/78/90/35/950789035.db2.gz CWCPNDGVXLEONW-RISCZKNCSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576218919 950798964 /nfs/dbraw/zinc/79/89/64/950798964.db2.gz RWWKNMCATWBVQB-WDEREUQCSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574766307 950813001 /nfs/dbraw/zinc/81/30/01/950813001.db2.gz HZUAWRORQUZICS-LLVKDONJSA-N 0 1 383.412 0.922 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ncn(C(C)(C)C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574766314 950813247 /nfs/dbraw/zinc/81/32/47/950813247.db2.gz IBILDKUAVZLVAS-NSHDSACASA-N 0 1 384.448 0.603 20 0 GCADMN C[C@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574766182 950814524 /nfs/dbraw/zinc/81/45/24/950814524.db2.gz LLYYPQRBYSYYDW-GFCCVEGCSA-N 0 1 381.444 0.789 20 0 GCADMN CC(C)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574186688 950819217 /nfs/dbraw/zinc/81/92/17/950819217.db2.gz ILDYGHYAXHCVSZ-KBPBESRZSA-N 0 1 388.476 0.933 20 0 GCADMN CC(C)(C)c1nc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001573885513 950829327 /nfs/dbraw/zinc/82/93/27/950829327.db2.gz SYIIEQAKLFBEPU-NSHDSACASA-N 0 1 384.448 0.615 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)[C@H]1CCN(C(C)(C)C)C1=O ZINC001575010815 950829476 /nfs/dbraw/zinc/82/94/76/950829476.db2.gz JFDJMEIFXYVESF-RISCZKNCSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)Cc1ccnc(N(C)C)c1 ZINC001575011255 950851572 /nfs/dbraw/zinc/85/15/72/950851572.db2.gz OCNQIMPBFDJZQH-LBPRGKRZSA-N 0 1 383.460 0.906 20 0 GCADMN C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1=NC(=O)N(C)C1 ZINC001575934387 950858227 /nfs/dbraw/zinc/85/82/27/950858227.db2.gz RBHKIRBDOSAHCJ-LDYMZIIASA-N 0 1 387.379 0.555 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576221559 950860259 /nfs/dbraw/zinc/86/02/59/950860259.db2.gz VNWABQJFADYZDN-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576222148 950862568 /nfs/dbraw/zinc/86/25/68/950862568.db2.gz XIELPHDWARVQCQ-ZJUUUORDSA-N 0 1 378.387 0.773 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573888703 950873602 /nfs/dbraw/zinc/87/36/02/950873602.db2.gz YZSBDJSLNGCMNF-JTQLQIEISA-N 0 1 386.416 0.172 20 0 GCADMN C[C@@H](CN(C)C(=O)c1nccnc1N)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574767921 950875719 /nfs/dbraw/zinc/87/57/19/950875719.db2.gz VCJFBMDDYZWQLW-JTQLQIEISA-N 0 1 385.407 0.628 20 0 GCADMN C[C@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768745 950902351 /nfs/dbraw/zinc/90/23/51/950902351.db2.gz WMLGFDJJMSBEHF-MRVPVSSYSA-N 0 1 386.445 0.380 20 0 GCADMN C[C@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768919 950906804 /nfs/dbraw/zinc/90/68/04/950906804.db2.gz XPKBHIWWZNUXMO-SNVBAGLBSA-N 0 1 385.432 0.937 20 0 GCADMN CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001573893979 950915803 /nfs/dbraw/zinc/91/58/03/950915803.db2.gz HDQNUJUGROKOAR-CYBMUJFWSA-N 0 1 381.444 0.962 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227914 950926466 /nfs/dbraw/zinc/92/64/66/950926466.db2.gz FQHRWOJDJZLCHV-OLZOCXBDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227914 950926485 /nfs/dbraw/zinc/92/64/85/950926485.db2.gz FQHRWOJDJZLCHV-OLZOCXBDSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)(C)n1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001573894522 950931020 /nfs/dbraw/zinc/93/10/20/950931020.db2.gz UPEVJMRCSVBOGD-UHFFFAOYSA-N 0 1 382.432 0.405 20 0 GCADMN C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576228141 950934586 /nfs/dbraw/zinc/93/45/86/950934586.db2.gz JFZFVGHBLYIQCE-WBMJQRKESA-N 0 1 390.451 0.752 20 0 GCADMN CC1CC(C(=O)N(C)C[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575937022 950934814 /nfs/dbraw/zinc/93/48/14/950934814.db2.gz CEUIRZJDPSBFBM-WDIPEOLASA-N 0 1 376.436 0.961 20 0 GCADMN C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575937289 950941087 /nfs/dbraw/zinc/94/10/87/950941087.db2.gz JWRKWBLRDNZBOJ-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575937289 950941104 /nfs/dbraw/zinc/94/11/04/950941104.db2.gz JWRKWBLRDNZBOJ-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H](C[C@H](C)NCc1ncnn1CCF)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574530052 950967886 /nfs/dbraw/zinc/96/78/86/950967886.db2.gz SQGZWRQTHAYZPV-WDEREUQCSA-N 0 1 390.427 0.443 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576229815 950978492 /nfs/dbraw/zinc/97/84/92/950978492.db2.gz OFZGBPLMQSMMEO-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576229815 950978513 /nfs/dbraw/zinc/97/85/13/950978513.db2.gz OFZGBPLMQSMMEO-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576230034 950985440 /nfs/dbraw/zinc/98/54/40/950985440.db2.gz LCYNRNXBEWOMLA-CHWSQXEVSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1COCCO1 ZINC001574774449 951001614 /nfs/dbraw/zinc/00/16/14/951001614.db2.gz CQNQNKKJVRZZCE-IAQYHMDHSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1COCCO1 ZINC001574774450 951001933 /nfs/dbraw/zinc/00/19/33/951001933.db2.gz CQNQNKKJVRZZCE-NHYWBVRUSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574774576 951004713 /nfs/dbraw/zinc/00/47/13/951004713.db2.gz DCFMXKJHZWEHNT-JTQLQIEISA-N 0 1 386.391 0.339 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CNC(=O)C1CC1 ZINC001574774621 951005610 /nfs/dbraw/zinc/00/56/10/951005610.db2.gz FAMRTZWGJKDDEH-LLVKDONJSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001575939109 951005808 /nfs/dbraw/zinc/00/58/08/951005808.db2.gz PAEILLRMZMTILC-STQMWFEESA-N 0 1 388.476 0.790 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575017715 951008636 /nfs/dbraw/zinc/00/86/36/951008636.db2.gz JCTIYOUYCVHLLR-SNVBAGLBSA-N 0 1 386.391 0.008 20 0 GCADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574774560 951008893 /nfs/dbraw/zinc/00/88/93/951008893.db2.gz DANSOJZZKOLUJJ-IINYFYTJSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575018691 951023511 /nfs/dbraw/zinc/02/35/11/951023511.db2.gz OTTKHGINQGZWIE-SECBINFHSA-N 0 1 386.391 0.341 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575023253 951075258 /nfs/dbraw/zinc/07/52/58/951075258.db2.gz LKZWHFCGLHFZKM-VIFPVBQESA-N 0 1 386.441 0.677 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575023890 951085773 /nfs/dbraw/zinc/08/57/73/951085773.db2.gz RNCJBVVDGRRPHB-SECBINFHSA-N 0 1 386.441 0.330 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)nc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575023890 951085780 /nfs/dbraw/zinc/08/57/80/951085780.db2.gz RNCJBVVDGRRPHB-SECBINFHSA-N 0 1 386.441 0.330 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024922 951120033 /nfs/dbraw/zinc/12/00/33/951120033.db2.gz PTTOHBOWNMVQOG-SNVBAGLBSA-N 0 1 382.384 0.080 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(NC(N)=O)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575025428 951130298 /nfs/dbraw/zinc/13/02/98/951130298.db2.gz ZFAWQFDEVJCPGI-JTQLQIEISA-N 0 1 381.400 0.405 20 0 GCADMN C[C@H](CNC(=O)c1ccc(NC(N)=O)cc1)Nc1ccncc1-c1nn[nH]n1 ZINC001575025431 951130520 /nfs/dbraw/zinc/13/05/20/951130520.db2.gz ZFAWQFDEVJCPGI-SNVBAGLBSA-N 0 1 381.400 0.405 20 0 GCADMN C[C@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575025493 951130541 /nfs/dbraw/zinc/13/05/41/951130541.db2.gz ZPUPFZZIJNPYCD-GFCCVEGCSA-N 0 1 381.444 0.977 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2n[nH]cc21)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027169 951152465 /nfs/dbraw/zinc/15/24/65/951152465.db2.gz CUTZAPUMAFWVDQ-JTQLQIEISA-N 0 1 378.400 0.788 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2nncn2c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575027522 951157325 /nfs/dbraw/zinc/15/73/25/951157325.db2.gz RIQSUNOPZJCQMP-JTQLQIEISA-N 0 1 383.441 0.879 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2nncn2c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575027522 951157330 /nfs/dbraw/zinc/15/73/30/951157330.db2.gz RIQSUNOPZJCQMP-JTQLQIEISA-N 0 1 383.441 0.879 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028181 951169674 /nfs/dbraw/zinc/16/96/74/951169674.db2.gz LXQSZIYLJKPIIR-MNOVXSKESA-N 0 1 380.412 0.632 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1O[C@@H](C)C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028182 951170603 /nfs/dbraw/zinc/17/06/03/951170603.db2.gz LXQSZIYLJKPIIR-QWRGUYRKSA-N 0 1 380.412 0.632 20 0 GCADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[C@H](C)C1 ZINC001591878711 951240825 /nfs/dbraw/zinc/24/08/25/951240825.db2.gz XHCRUVHKLMJFCV-OLMMMNRUSA-N 0 1 383.489 0.866 20 0 GCADMN C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575035015 951263931 /nfs/dbraw/zinc/26/39/31/951263931.db2.gz SIROTZIXVIQKHG-NSHDSACASA-N 0 1 382.432 0.306 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575036902 951302066 /nfs/dbraw/zinc/30/20/66/951302066.db2.gz YPPPADNOFBMWSG-MRVPVSSYSA-N 0 1 378.347 0.503 20 0 GCADMN C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575041751 951348249 /nfs/dbraw/zinc/34/82/49/951348249.db2.gz BFUDTXUMXFWYNY-QMMMGPOBSA-N 0 1 391.823 0.609 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1[C@H](C)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575042712 951370609 /nfs/dbraw/zinc/37/06/09/951370609.db2.gz BCWYKUIGARMBSF-GHMZBOCLSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575043508 951396901 /nfs/dbraw/zinc/39/69/01/951396901.db2.gz SHYSYMUPIKUBNA-JTQLQIEISA-N 0 1 382.432 0.310 20 0 GCADMN C[C@H](CNC(=O)c1cnc2cccnn21)CNc1ccncc1-c1nn[nH]n1 ZINC001575044544 951416170 /nfs/dbraw/zinc/41/61/70/951416170.db2.gz SGNVZXYAWCVXQN-NSHDSACASA-N 0 1 378.400 0.204 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575045605 951431150 /nfs/dbraw/zinc/43/11/50/951431150.db2.gz FFOFFCAPLHJBKI-LLVKDONJSA-N 0 1 382.432 0.232 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1N)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575051963 951457240 /nfs/dbraw/zinc/45/72/40/951457240.db2.gz CCCMIRGPEMVTCV-YFKPBYRVSA-N 0 1 382.841 0.523 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)n1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575053284 951475722 /nfs/dbraw/zinc/47/57/22/951475722.db2.gz SCVLTSGTMCLKCQ-LURJTMIESA-N 0 1 382.841 0.360 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575054118 951485913 /nfs/dbraw/zinc/48/59/13/951485913.db2.gz VTXGJJNRFWQKTD-MRVPVSSYSA-N 0 1 392.374 0.228 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575054125 951487379 /nfs/dbraw/zinc/48/73/79/951487379.db2.gz VWGOFUJWYQQFGZ-SNVBAGLBSA-N 0 1 382.432 0.522 20 0 GCADMN C[C@H](CNC(=O)c1cnoc1-c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575054311 951492338 /nfs/dbraw/zinc/49/23/38/951492338.db2.gz IMTSJANSTRFLDU-LLVKDONJSA-N 0 1 391.395 0.964 20 0 GCADMN C[C@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575064583 951574317 /nfs/dbraw/zinc/57/43/17/951574317.db2.gz AAJWJSICRGUCLY-ZCFIWIBFSA-N 0 1 383.294 0.316 20 0 GCADMN C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575064753 951576917 /nfs/dbraw/zinc/57/69/17/951576917.db2.gz CVXLPQFTXUVJIE-UWVGGRQHSA-N 0 1 385.388 0.149 20 0 GCADMN C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001575065460 951586544 /nfs/dbraw/zinc/58/65/44/951586544.db2.gz HITFWASEYDQZRJ-ZWNOBZJWSA-N 0 1 384.400 0.754 20 0 GCADMN C[C@@H](CNC(=O)c1ncsc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575066849 951600217 /nfs/dbraw/zinc/60/02/17/951600217.db2.gz MZKDXNGNQAHBAX-SECBINFHSA-N 0 1 385.457 0.891 20 0 GCADMN C[C@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575066939 951602678 /nfs/dbraw/zinc/60/26/78/951602678.db2.gz NUKAZVZTQMEPSY-MRVPVSSYSA-N 0 1 376.812 0.298 20 0 GCADMN O=C([O-])CN1CC[C@@H](N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC001595072571 951610829 /nfs/dbraw/zinc/61/08/29/951610829.db2.gz ZHNHWQMMLDDPLK-QGZVFWFLSA-N 0 1 394.516 0.376 20 0 GCADMN C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575071197 951657172 /nfs/dbraw/zinc/65/71/72/951657172.db2.gz YDRPNJMVRAHTLY-MRVPVSSYSA-N 0 1 386.445 0.286 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)C1=O ZINC001595087005 951740566 /nfs/dbraw/zinc/74/05/66/951740566.db2.gz PWIDGBVQMNBRNS-HNNXBMFYSA-N 0 1 379.482 0.758 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575089044 951745733 /nfs/dbraw/zinc/74/57/33/951745733.db2.gz CSGOJPDKJNLUAY-VOJFVSQTSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575089046 951746015 /nfs/dbraw/zinc/74/60/15/951746015.db2.gz CSGOJPDKJNLUAY-ZMZPIMSZSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575089147 951746975 /nfs/dbraw/zinc/74/69/75/951746975.db2.gz FBOHMQKNPKCAPL-RISCZKNCSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575089826 951755599 /nfs/dbraw/zinc/75/55/99/951755599.db2.gz HPNXVNRWHCSDOL-NHYWBVRUSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1COCCO1 ZINC001575090573 951761700 /nfs/dbraw/zinc/76/17/00/951761700.db2.gz MHYHTRFZUOEOEE-NHYWBVRUSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575090705 951763084 /nfs/dbraw/zinc/76/30/84/951763084.db2.gz NLLUCEXKEZZWQO-SWLSCSKDSA-N 0 1 392.435 0.748 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575091118 951769558 /nfs/dbraw/zinc/76/95/58/951769558.db2.gz PISRRGUDVZRHOC-SJCJKPOMSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575091118 951769564 /nfs/dbraw/zinc/76/95/64/951769564.db2.gz PISRRGUDVZRHOC-SJCJKPOMSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575091291 951773349 /nfs/dbraw/zinc/77/33/49/951773349.db2.gz QHIQPDQZMCWTFT-WCQYABFASA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCNC(N)=O ZINC001575091578 951778962 /nfs/dbraw/zinc/77/89/62/951778962.db2.gz VJILVGZIHOHWKX-SNVBAGLBSA-N 0 1 378.412 0.001 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575091724 951782433 /nfs/dbraw/zinc/78/24/33/951782433.db2.gz WVLHYIMBHZNOMI-SNVBAGLBSA-N 0 1 388.407 0.695 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098402 951822631 /nfs/dbraw/zinc/82/26/31/951822631.db2.gz CJDANVGLCDONFB-VIFPVBQESA-N 0 1 375.462 0.400 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098402 951822633 /nfs/dbraw/zinc/82/26/33/951822633.db2.gz CJDANVGLCDONFB-VIFPVBQESA-N 0 1 375.462 0.400 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098711 951825360 /nfs/dbraw/zinc/82/53/60/951825360.db2.gz FIBQNEVGZFXCIW-QWRGUYRKSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098711 951825368 /nfs/dbraw/zinc/82/53/68/951825368.db2.gz FIBQNEVGZFXCIW-QWRGUYRKSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098684 951826589 /nfs/dbraw/zinc/82/65/89/951826589.db2.gz FDFAMACOPIMLLQ-GHMZBOCLSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098684 951826599 /nfs/dbraw/zinc/82/65/99/951826599.db2.gz FDFAMACOPIMLLQ-GHMZBOCLSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098998 951828179 /nfs/dbraw/zinc/82/81/79/951828179.db2.gz GUEDDADEAJZYRV-SNVBAGLBSA-N 0 1 388.457 0.178 20 0 GCADMN C[C@@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098998 951828183 /nfs/dbraw/zinc/82/81/83/951828183.db2.gz GUEDDADEAJZYRV-SNVBAGLBSA-N 0 1 388.457 0.178 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575099356 951832528 /nfs/dbraw/zinc/83/25/28/951832528.db2.gz KNZAMEZWLZMWPL-NEPJUHHUSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575099356 951832544 /nfs/dbraw/zinc/83/25/44/951832544.db2.gz KNZAMEZWLZMWPL-NEPJUHHUSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099379 951833250 /nfs/dbraw/zinc/83/32/50/951833250.db2.gz KXWFTITXGWKNED-SNVBAGLBSA-N 0 1 388.457 0.673 20 0 GCADMN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099379 951833261 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0 1 377.474 0.533 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCC(=O)N1 ZINC001575099769 951840068 /nfs/dbraw/zinc/84/00/68/951840068.db2.gz OKDKPKTYNGVXCX-MNOVXSKESA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H](C)n1cncn1 ZINC001575099923 951841270 /nfs/dbraw/zinc/84/12/70/951841270.db2.gz QFDIXSGPQQUFPU-GHMZBOCLSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H](C)n1cncn1 ZINC001575099923 951841275 /nfs/dbraw/zinc/84/12/75/951841275.db2.gz QFDIXSGPQQUFPU-GHMZBOCLSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575099925 951842391 /nfs/dbraw/zinc/84/23/91/951842391.db2.gz QFDIXSGPQQUFPU-MNOVXSKESA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575099925 951842403 /nfs/dbraw/zinc/84/24/03/951842403.db2.gz QFDIXSGPQQUFPU-MNOVXSKESA-N 0 1 375.462 0.717 20 0 GCADMN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100846 951849203 /nfs/dbraw/zinc/84/92/03/951849203.db2.gz VOYUFPWBERGQIH-LLVKDONJSA-N 0 1 375.462 0.452 20 0 GCADMN C[C@@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100846 951849222 /nfs/dbraw/zinc/84/92/22/951849222.db2.gz VOYUFPWBERGQIH-LLVKDONJSA-N 0 1 375.462 0.452 20 0 GCADMN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100847 951849428 /nfs/dbraw/zinc/84/94/28/951849428.db2.gz VOYUFPWBERGQIH-NSHDSACASA-N 0 1 375.462 0.452 20 0 GCADMN C[C@H](CNC(=O)CCn1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100847 951849438 /nfs/dbraw/zinc/84/94/38/951849438.db2.gz VOYUFPWBERGQIH-NSHDSACASA-N 0 1 375.462 0.452 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575101027 951851777 /nfs/dbraw/zinc/85/17/77/951851777.db2.gz XRGBPCYWXBMNGT-RYUDHWBXSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575101027 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C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccccc1O)C1CC1 ZINC001575142708 952147785 /nfs/dbraw/zinc/14/77/85/952147785.db2.gz LBNHECDIYLZWKJ-SFHVURJKSA-N 0 1 380.412 0.795 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575142780 952148210 /nfs/dbraw/zinc/14/82/10/952148210.db2.gz LQAQKMKOJNOGAZ-OAHLLOKOSA-N 0 1 389.807 0.731 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575142726 952148397 /nfs/dbraw/zinc/14/83/97/952148397.db2.gz LESOBEQOOHVWBP-OLZOCXBDSA-N 0 1 388.476 0.933 20 0 GCADMN CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001602893087 971806875 /nfs/dbraw/zinc/80/68/75/971806875.db2.gz NMDWVCVBZWSMGL-IFXJQAMLSA-N 0 1 397.472 0.774 20 0 GCADMN O=C([O-])Cn1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1=O ZINC001595153967 952154003 /nfs/dbraw/zinc/15/40/03/952154003.db2.gz BSEBBJBBPDZRAM-SJLPKXTDSA-N 0 1 399.447 0.546 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575143651 952156630 /nfs/dbraw/zinc/15/66/30/952156630.db2.gz QKSVFAALTHAVPS-QGZVFWFLSA-N 0 1 381.400 0.190 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575143657 952156717 /nfs/dbraw/zinc/15/67/17/952156717.db2.gz QPXTUNOINXKLGR-LBPRGKRZSA-N 0 1 378.440 0.752 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575143794 952157412 /nfs/dbraw/zinc/15/74/12/952157412.db2.gz RVRXGPUXBRKLRV-SNVBAGLBSA-N 0 1 388.382 0.858 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575143804 952157529 /nfs/dbraw/zinc/15/75/29/952157529.db2.gz RYUYNYINKCIZPW-JTQLQIEISA-N 0 1 388.382 0.858 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc(F)cc1F ZINC001575143807 952157711 /nfs/dbraw/zinc/15/77/11/952157711.db2.gz RYUYNYINKCIZPW-SNVBAGLBSA-N 0 1 388.382 0.858 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575143916 952159489 /nfs/dbraw/zinc/15/94/89/952159489.db2.gz DQDUMNWGWPXQIF-LLVKDONJSA-N 0 1 381.444 0.858 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575143884 952159807 /nfs/dbraw/zinc/15/98/07/952159807.db2.gz DIXXYIWISRKLGG-SNVBAGLBSA-N 0 1 382.432 0.262 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575143996 952160815 /nfs/dbraw/zinc/16/08/15/952160815.db2.gz FFCRNLGHPKLELP-SNVBAGLBSA-N 0 1 380.416 0.319 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575144102 952162680 /nfs/dbraw/zinc/16/26/80/952162680.db2.gz GCJLZQPPBFMWAW-LBPRGKRZSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575144172 952162692 /nfs/dbraw/zinc/16/26/92/952162692.db2.gz GWLYRURQIAVSHU-JTQLQIEISA-N 0 1 384.400 0.317 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575144147 952162851 /nfs/dbraw/zinc/16/28/51/952162851.db2.gz GPUSSLOROZBZCX-GOSISDBHSA-N 0 1 380.412 0.795 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575144586 952167770 /nfs/dbraw/zinc/16/77/70/952167770.db2.gz JDDRIZUFRNGGJO-NSHDSACASA-N 0 1 380.412 0.586 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575144612 952169475 /nfs/dbraw/zinc/16/94/75/952169475.db2.gz JNBWVMYLVLCXRN-SSDOTTSWSA-N 0 1 378.347 0.312 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC001575144655 952169517 /nfs/dbraw/zinc/16/95/17/952169517.db2.gz XCUKPVCFHHOHGC-FPMFFAJLSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575144619 952169580 /nfs/dbraw/zinc/16/95/80/952169580.db2.gz JPHVADIAWCKDKW-QMMMGPOBSA-N 0 1 378.347 0.243 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575144627 952169729 /nfs/dbraw/zinc/16/97/29/952169729.db2.gz JPVPZYNTCYRXAV-UGSOOPFHSA-N 0 1 387.444 0.186 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2nonc2c1 ZINC001575144794 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ZINC001571175369 952821564 /nfs/dbraw/zinc/82/15/64/952821564.db2.gz BNDCZJKESJMCCG-CMPLNLGQSA-N 0 1 381.400 0.190 20 0 GCADMN COc1cccc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571175579 952822532 /nfs/dbraw/zinc/82/25/32/952822532.db2.gz VPLSNJUNEUONAY-XYPYZODXSA-N 0 1 381.400 0.103 20 0 GCADMN CN(C(=O)c1conc1C1CC1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571175610 952823274 /nfs/dbraw/zinc/82/32/74/952823274.db2.gz XDCQWBJCSCRBBW-NSHDSACASA-N 0 1 381.400 0.873 20 0 GCADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnoc1C1CC1 ZINC001571175732 952825015 /nfs/dbraw/zinc/82/50/15/952825015.db2.gz GQXQCVYLXLBTQQ-NSHDSACASA-N 0 1 381.400 0.921 20 0 GCADMN Cc1conc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571175964 952828009 /nfs/dbraw/zinc/82/80/09/952828009.db2.gz KBAQYZOHISCIGE-GHMZBOCLSA-N 0 1 381.400 0.528 20 0 GCADMN O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1)c1cocn1 ZINC001571176158 952829574 /nfs/dbraw/zinc/82/95/74/952829574.db2.gz MUARFUCNFZNIRE-SDDRHHMPSA-N 0 1 381.400 0.680 20 0 GCADMN Cc1conc1C(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571176582 952833738 /nfs/dbraw/zinc/83/37/38/952833738.db2.gz VGYXUMRPGOUIIU-NWDGAFQWSA-N 0 1 381.400 0.837 20 0 GCADMN Cc1nocc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571176658 952834308 /nfs/dbraw/zinc/83/43/08/952834308.db2.gz WXLGAYAVLRUDKY-NEPJUHHUSA-N 0 1 381.400 0.552 20 0 GCADMN Cc1c[nH]cc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571179917 952855765 /nfs/dbraw/zinc/85/57/65/952855765.db2.gz KFPZGSRDPXIGHE-DLBZAZTESA-N 0 1 381.440 0.868 20 0 GCADMN CC(C)Cn1nccc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571181818 952866119 /nfs/dbraw/zinc/86/61/19/952866119.db2.gz YQKBGGIYGJOYFR-ZDUSSCGKSA-N 0 1 381.444 0.863 20 0 GCADMN CC1(C)CN(C(=O)CCn2cccc2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571183452 952878269 /nfs/dbraw/zinc/87/82/69/952878269.db2.gz AJPPKTONAIMPJE-ZDUSSCGKSA-N 0 1 381.444 0.619 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183504 952878466 /nfs/dbraw/zinc/87/84/66/952878466.db2.gz CDRJWJRNVXUTKD-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN CCc1c(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571183492 952878609 /nfs/dbraw/zinc/87/86/09/952878609.db2.gz BWMKVMBVSSIFHI-DGCLKSJQSA-N 0 1 381.444 0.552 20 0 GCADMN CCc1c[nH]c(CC(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571183575 952879741 /nfs/dbraw/zinc/87/97/41/952879741.db2.gz DWNQXJZJOQQPJU-UHFFFAOYSA-N 0 1 381.444 0.613 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cn[nH]c1 ZINC001571183721 952882567 /nfs/dbraw/zinc/88/25/67/952882567.db2.gz IBZOKAZHHKYTON-TZMCWYRMSA-N 0 1 381.444 0.831 20 0 GCADMN C[C@H]1C[C@H](NCc2cc3n(n2)CCC3)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571183684 952882605 /nfs/dbraw/zinc/88/26/05/952882605.db2.gz HMHBVVTZTBGECO-FZMZJTMJSA-N 0 1 381.444 0.730 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)CCc1ccn(C)n1 ZINC001571183889 952884613 /nfs/dbraw/zinc/88/46/13/952884613.db2.gz MDIKEWUPTLDWFA-OCCSQVGLSA-N 0 1 381.444 0.451 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CCC[C@@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571184139 952888048 /nfs/dbraw/zinc/88/80/48/952888048.db2.gz RKEZAYXCZFZUPZ-GFCCVEGCSA-N 0 1 381.444 0.994 20 0 GCADMN C[C@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571184108 952888336 /nfs/dbraw/zinc/88/83/36/952888336.db2.gz QQQOFCLHIWJQDH-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN CCCn1cc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571184209 952889089 /nfs/dbraw/zinc/88/90/89/952889089.db2.gz TWNBETXRUUQKNK-ZDUSSCGKSA-N 0 1 381.444 0.864 20 0 GCADMN C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571184311 952890609 /nfs/dbraw/zinc/89/06/09/952890609.db2.gz WBLXEOCKDVFHEP-JSGCOSHPSA-N 0 1 381.444 0.309 20 0 GCADMN CCCn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)nn1 ZINC001571184465 952893008 /nfs/dbraw/zinc/89/30/08/952893008.db2.gz ZYHHZWPHIVHLTN-CQSZACIVSA-N 0 1 381.444 0.873 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccn2C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184840 952898001 /nfs/dbraw/zinc/89/80/01/952898001.db2.gz FBWOKABFZKOMAI-OLZOCXBDSA-N 0 1 381.444 0.770 20 0 GCADMN CCn1nc(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571184872 952898887 /nfs/dbraw/zinc/89/88/87/952898887.db2.gz GBGRSNRDTMUIHU-AWEZNQCLSA-N 0 1 381.444 0.791 20 0 GCADMN CCn1cc(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)nn1 ZINC001571185113 952900208 /nfs/dbraw/zinc/90/02/08/952900208.db2.gz IPLQERWVPDPQFS-OAHLLOKOSA-N 0 1 381.444 0.873 20 0 GCADMN CCn1ccc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H](C)C2)n1 ZINC001571185404 952902215 /nfs/dbraw/zinc/90/22/15/952902215.db2.gz KZRWACUXVHVMEW-ZBEGNZNMSA-N 0 1 381.444 0.781 20 0 GCADMN CCn1cnc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C(C)(C)C2)c1 ZINC001571185830 952904627 /nfs/dbraw/zinc/90/46/27/952904627.db2.gz QIKWACKXTBDNEE-HNNXBMFYSA-N 0 1 381.444 0.863 20 0 GCADMN CCn1ccnc1C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571186132 952905134 /nfs/dbraw/zinc/90/51/34/952905134.db2.gz TUPHNRBFCFLBFJ-CHWSQXEVSA-N 0 1 381.444 0.720 20 0 GCADMN CNC(=O)N[C@H]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571186121 952905166 /nfs/dbraw/zinc/90/51/66/952905166.db2.gz SYBFYHBTTGHUTE-HNNXBMFYSA-N 0 1 381.444 0.771 20 0 GCADMN CNC(=O)N[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571186122 952905541 /nfs/dbraw/zinc/90/55/41/952905541.db2.gz SYBFYHBTTGHUTE-OAHLLOKOSA-N 0 1 381.444 0.771 20 0 GCADMN CCn1ncc(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571186573 952908042 /nfs/dbraw/zinc/90/80/42/952908042.db2.gz XJFOCYKEXMMQRC-CQSZACIVSA-N 0 1 381.444 0.873 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)c3ccnn3C)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187801 952909989 /nfs/dbraw/zinc/90/99/89/952909989.db2.gz CBXYAKSWQXMLOE-HNNXBMFYSA-N 0 1 381.444 0.688 20 0 GCADMN Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187790 952910463 /nfs/dbraw/zinc/91/04/63/952910463.db2.gz BZSNTJLOZXXLGM-ZIAGYGMSSA-N 0 1 381.444 0.538 20 0 GCADMN Cc1ccnn1CC(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571187992 952911366 /nfs/dbraw/zinc/91/13/66/952911366.db2.gz FIBCVURYDLLAGS-TZMCWYRMSA-N 0 1 381.444 0.395 20 0 GCADMN Cc1cc(NCC2CC(NC(=O)Cc3cnn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188163 952912465 /nfs/dbraw/zinc/91/24/65/952912465.db2.gz HEFWMPOSWGAXRM-UHFFFAOYSA-N 0 1 381.444 0.275 20 0 GCADMN Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cc2cc[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188374 952913063 /nfs/dbraw/zinc/91/30/63/952913063.db2.gz JVZAXNFFSAIFLU-IUODEOHRSA-N 0 1 381.444 0.655 20 0 GCADMN Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188597 952916827 /nfs/dbraw/zinc/91/68/27/952916827.db2.gz LNFGCMIMDCQTJL-CYBMUJFWSA-N 0 1 381.444 0.669 20 0 GCADMN Cc1ccc(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[nH]n4)n3)CC2)n1C ZINC001571188704 952917929 /nfs/dbraw/zinc/91/79/29/952917929.db2.gz MSNMNYSVZUUEQA-UHFFFAOYSA-N 0 1 381.444 0.832 20 0 GCADMN Cc1c[nH]nc1C(=O)N1CC[C@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188664 952918013 /nfs/dbraw/zinc/91/80/13/952918013.db2.gz MMWCASNPTLCSMN-ZDUSSCGKSA-N 0 1 381.444 0.988 20 0 GCADMN Cc1cc(N[C@@H]2CCCN(C(=O)[C@H](C)n3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188848 952920393 /nfs/dbraw/zinc/92/03/93/952920393.db2.gz OCOVHJYDALOYGI-UONOGXRCSA-N 0 1 381.444 0.853 20 0 GCADMN Nc1ccnn1CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571188987 952922583 /nfs/dbraw/zinc/92/25/83/952922583.db2.gz LGQAQXKWPMPYFL-UHFFFAOYSA-N 0 1 381.444 0.380 20 0 GCADMN Cn1cnc(C(=O)N2CCCC[C@@H]2CCNc2ccncc2-c2nn[nH]n2)c1 ZINC001571188964 952922795 /nfs/dbraw/zinc/92/27/95/952922795.db2.gz KXAOIADOEIOPPY-CYBMUJFWSA-N 0 1 381.444 0.914 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)[C@H](C)c3cnn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189039 952924076 /nfs/dbraw/zinc/92/40/76/952924076.db2.gz QHHQFSHIFJBEPA-OCCSQVGLSA-N 0 1 381.444 0.802 20 0 GCADMN Cn1cc(CN2CC[C@@]3(NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)CCC[C@@H]23)cn1 ZINC001571189165 952925514 /nfs/dbraw/zinc/92/55/14/952925514.db2.gz NQEIDASMGUNKAW-QAPCUYQASA-N 0 1 381.444 0.855 20 0 GCADMN Cc1ccn(C)c1C(=O)N1C[C@@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571189305 952928455 /nfs/dbraw/zinc/92/84/55/952928455.db2.gz URZDVWZEOAIPBM-OLZOCXBDSA-N 0 1 381.444 0.546 20 0 GCADMN Cc1c(C(=O)N2C[C@@H](C)[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cnn1C ZINC001571189387 952928999 /nfs/dbraw/zinc/92/89/99/952928999.db2.gz VWYZQIYEPRJVMH-HWPZZCPQSA-N 0 1 381.444 0.607 20 0 GCADMN Cc1ccnn1CC(=O)N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571189587 952932442 /nfs/dbraw/zinc/93/24/42/952932442.db2.gz XUPDFTGDMYQNKW-ZIAGYGMSSA-N 0 1 381.444 0.586 20 0 GCADMN O=C(N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)C12CCC[NH+]1CCC2 ZINC001571189818 952934680 /nfs/dbraw/zinc/93/46/80/952934680.db2.gz VTYXBYIULLKOFU-STQMWFEESA-N 0 1 381.444 0.075 20 0 GCADMN O=C(N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)C12CCC[NH+]1CCC2 ZINC001571189818 952934683 /nfs/dbraw/zinc/93/46/83/952934683.db2.gz VTYXBYIULLKOFU-STQMWFEESA-N 0 1 381.444 0.075 20 0 GCADMN Cc1nn(C)c(C)c1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571189902 952937080 /nfs/dbraw/zinc/93/70/80/952937080.db2.gz YXYLDXGBMKYBGN-UHFFFAOYSA-N 0 1 381.444 0.654 20 0 GCADMN O=C(Nc1ccnnc1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC001571194485 952963373 /nfs/dbraw/zinc/96/33/73/952963373.db2.gz NOPRXLZFLIQEDD-UHFFFAOYSA-N 0 1 382.388 0.876 20 0 GCADMN Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)NCc1nnc([C@@H]2CCOC2)[nH]1 ZINC001571198522 952990766 /nfs/dbraw/zinc/99/07/66/952990766.db2.gz BAVBSMCGANBLHN-GFCCVEGCSA-N 0 1 382.428 0.964 20 0 GCADMN Cc1cc(-c2nn[nH]n2)cc(C)c1CC(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001571198523 952991611 /nfs/dbraw/zinc/99/16/11/952991611.db2.gz BAVBSMCGANBLHN-LBPRGKRZSA-N 0 1 382.428 0.964 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571199251 952997441 /nfs/dbraw/zinc/99/74/41/952997441.db2.gz OKPGQXPIGNJCLA-CQSZACIVSA-N 0 1 382.428 0.998 20 0 GCADMN CCOc1cc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC001571199687 953002938 /nfs/dbraw/zinc/00/29/38/953002938.db2.gz ZBEFJLFMNVQUFL-CQSZACIVSA-N 0 1 382.428 0.993 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)Cc3cnoc3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571201059 953014470 /nfs/dbraw/zinc/01/44/70/953014470.db2.gz JCPCIZCRDGJYFI-HNNXBMFYSA-N 0 1 382.428 0.872 20 0 GCADMN Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2ccon2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571201704 953019516 /nfs/dbraw/zinc/01/95/16/953019516.db2.gz NDMYNPJDVDCDNX-DOMZBBRYSA-N 0 1 382.428 0.920 20 0 GCADMN Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cc2ccon2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571201705 953019620 /nfs/dbraw/zinc/01/96/20/953019620.db2.gz NDMYNPJDVDCDNX-IUODEOHRSA-N 0 1 382.428 0.920 20 0 GCADMN Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1[O-] ZINC001571202072 953021912 /nfs/dbraw/zinc/02/19/12/953021912.db2.gz QNMVPUVCMKALSU-ZDUSSCGKSA-N 0 1 382.428 0.856 20 0 GCADMN O=C(NC1CN(Cc2cc(-c3nn[nH]n3)ccc2F)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001571202421 953024970 /nfs/dbraw/zinc/02/49/70/953024970.db2.gz WIXJVAWNLIRQEY-ZIAGYGMSSA-N 0 1 382.403 0.833 20 0 GCADMN Cc1ccc(C(=O)N2CCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571202826 953029310 /nfs/dbraw/zinc/02/93/10/953029310.db2.gz ZLEWTFSJMUZJBC-CYBMUJFWSA-N 0 1 382.428 0.284 20 0 GCADMN Cn1cc(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]c1=O ZINC001571204704 953032059 /nfs/dbraw/zinc/03/20/59/953032059.db2.gz CGMPDKMCBXSQST-CQSZACIVSA-N 0 1 382.428 0.700 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571204849 953032073 /nfs/dbraw/zinc/03/20/73/953032073.db2.gz CXBQJUYKBNWOPO-YPMHNXCESA-N 0 1 382.432 0.165 20 0 GCADMN CCCn1cc(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)nn1 ZINC001571204886 953033548 /nfs/dbraw/zinc/03/35/48/953033548.db2.gz DUEVBVLJFHSMCP-UHFFFAOYSA-N 0 1 382.432 0.534 20 0 GCADMN C[C@@H](NC(=O)c1ncn(C)n1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571205188 953035644 /nfs/dbraw/zinc/03/56/44/953035644.db2.gz HCXMBIYJZZVETK-NEPJUHHUSA-N 0 1 382.432 0.425 20 0 GCADMN CCc1nc[nH]c1C(=O)N1CCC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205200 953037327 /nfs/dbraw/zinc/03/73/27/953037327.db2.gz HIGXPUDMLNJZCF-LLVKDONJSA-N 0 1 382.432 0.683 20 0 GCADMN CCCn1nccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571205449 953037995 /nfs/dbraw/zinc/03/79/95/953037995.db2.gz JDMZMKOBLOUBCN-NWDGAFQWSA-N 0 1 382.432 0.400 20 0 GCADMN CCCn1nccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571205450 953038156 /nfs/dbraw/zinc/03/81/56/953038156.db2.gz JDMZMKOBLOUBCN-RYUDHWBXSA-N 0 1 382.432 0.400 20 0 GCADMN Cc1noc(C)c1CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571205582 953039012 /nfs/dbraw/zinc/03/90/12/953039012.db2.gz JVDTUAITXBGLJF-UHFFFAOYSA-N 0 1 382.428 0.838 20 0 GCADMN CCc1nc[nH]c1C(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206008 953046023 /nfs/dbraw/zinc/04/60/23/953046023.db2.gz QSNBEFIMDACFJO-GHMZBOCLSA-N 0 1 382.432 0.517 20 0 GCADMN CCN(C(=O)c1nnn(C)n1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571205993 953046207 /nfs/dbraw/zinc/04/62/07/953046207.db2.gz QIJPQSOOWVGKBX-CQSZACIVSA-N 0 1 382.432 0.127 20 0 GCADMN CCc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205995 953046250 /nfs/dbraw/zinc/04/62/50/953046250.db2.gz QKVQWUPXWUYPGG-NSHDSACASA-N 0 1 382.432 0.351 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571206257 953049458 /nfs/dbraw/zinc/04/94/58/953049458.db2.gz SQCSFRJFMLDHBY-ZYHUDNBSSA-N 0 1 382.432 0.730 20 0 GCADMN C[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)CCc1cnc[nH]1 ZINC001571206338 953050127 /nfs/dbraw/zinc/05/01/27/953050127.db2.gz UCBSNWVCHOVZDE-NWDGAFQWSA-N 0 1 382.432 0.804 20 0 GCADMN CCN(C(=O)c1cc(C)nn1C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206446 953050960 /nfs/dbraw/zinc/05/09/60/953050960.db2.gz UQTXGWYQIYWLLY-LBPRGKRZSA-N 0 1 382.432 0.440 20 0 GCADMN Cc1ncccc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571206412 953051279 /nfs/dbraw/zinc/05/12/79/953051279.db2.gz PBPJFPJMXQJWKZ-HOCLYGCPSA-N 0 1 382.428 0.263 20 0 GCADMN Cc1ncc(CC(=O)N2CC[C@@H]([C@H](C)Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571206570 953052950 /nfs/dbraw/zinc/05/29/50/953052950.db2.gz RACDWFVDDONZLP-WCQYABFASA-N 0 1 382.428 0.872 20 0 GCADMN CCn1nccc1C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571206698 953053631 /nfs/dbraw/zinc/05/36/31/953053631.db2.gz JLNKWFIEGCEJJU-NEPJUHHUSA-N 0 1 382.432 0.306 20 0 GCADMN CCn1nncc1C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571206635 953054216 /nfs/dbraw/zinc/05/42/16/953054216.db2.gz ITZHXGNJFCPUSQ-GFCCVEGCSA-N 0 1 382.432 0.402 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571206676 953054399 /nfs/dbraw/zinc/05/43/99/953054399.db2.gz WBNIXADYHPNEKW-ZYHUDNBSSA-N 0 1 382.432 0.375 20 0 GCADMN CCn1nc(C)c(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571206798 953056003 /nfs/dbraw/zinc/05/60/03/953056003.db2.gz KTEXWOVYOWMBNU-LBPRGKRZSA-N 0 1 382.432 0.238 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CC[C@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206828 953056092 /nfs/dbraw/zinc/05/60/92/953056092.db2.gz XRBYQTCUSBUCGL-LLVKDONJSA-N 0 1 382.432 0.541 20 0 GCADMN CCc1n[nH]cc1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207027 953057845 /nfs/dbraw/zinc/05/78/45/953057845.db2.gz ZXHQVVKMAHGZEC-WDEREUQCSA-N 0 1 382.432 0.375 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2)C1=COCCC1 ZINC001571206953 953058428 /nfs/dbraw/zinc/05/84/28/953058428.db2.gz USPVCADCQXFEPN-OLZOCXBDSA-N 0 1 382.428 0.612 20 0 GCADMN CN(c1ccc(-c2nn[nH]n2)nn1)[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001571207073 953058756 /nfs/dbraw/zinc/05/87/56/953058756.db2.gz MMIDMDHMEXSWFM-ZDUSSCGKSA-N 0 1 382.432 0.440 20 0 GCADMN Cc1[nH]nc(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)c1C ZINC001571207143 953059779 /nfs/dbraw/zinc/05/97/79/953059779.db2.gz NRRDKWQBLGEBBL-LBPRGKRZSA-N 0 1 382.432 0.786 20 0 GCADMN CC(C)n1ccc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571207169 953060245 /nfs/dbraw/zinc/06/02/45/953060245.db2.gz WPWIBPHWHQSBOE-UHFFFAOYSA-N 0 1 382.432 0.571 20 0 GCADMN Cc1n[nH]cc1C(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571207288 953061899 /nfs/dbraw/zinc/06/18/99/953061899.db2.gz PNTJWQYHOOOHDF-MFKMUULPSA-N 0 1 382.432 0.463 20 0 GCADMN Cc1c[nH]nc1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571207308 953062013 /nfs/dbraw/zinc/06/20/13/953062013.db2.gz QGCIZXMXXCFYPN-UHFFFAOYSA-N 0 1 382.432 0.677 20 0 GCADMN CN(c1ncccc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001571207315 953062226 /nfs/dbraw/zinc/06/22/26/953062226.db2.gz QLNHEZFCSJLFMQ-GFCCVEGCSA-N 0 1 382.432 0.440 20 0 GCADMN CCn1nc(C)c(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571207407 953062924 /nfs/dbraw/zinc/06/29/24/953062924.db2.gz QYFOTLGXBHXNSB-GFCCVEGCSA-N 0 1 382.432 0.320 20 0 GCADMN O=C(CCc1cn[nH]c1)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571209835 953068063 /nfs/dbraw/zinc/06/80/63/953068063.db2.gz GFGUQUWZQNMPCH-GFCCVEGCSA-N 0 1 382.432 0.085 20 0 GCADMN O=C(CCc1nc[nH]n1)N1CCC(CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571210170 953070956 /nfs/dbraw/zinc/07/09/56/953070956.db2.gz NIVQFOACUWLMME-UHFFFAOYSA-N 0 1 382.432 0.663 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H](Nc2nc(C)ccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571211466 953075982 /nfs/dbraw/zinc/07/59/82/953075982.db2.gz BEVVDFBHDPYIQE-ZANVPECISA-N 0 1 382.432 0.959 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)n(C)n1 ZINC001571211504 953077100 /nfs/dbraw/zinc/07/71/00/953077100.db2.gz BYSHCWKVBVMIJA-LBPRGKRZSA-N 0 1 382.432 0.440 20 0 GCADMN Cc1cc(N2CCC(N(C)C(=O)c3cnn(C)n3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211642 953079370 /nfs/dbraw/zinc/07/93/70/953079370.db2.gz DNMUZMHCJUGCDD-UHFFFAOYSA-N 0 1 382.432 0.440 20 0 GCADMN Cc1cc(N2CCC[C@H](NC(=O)[C@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211701 953079632 /nfs/dbraw/zinc/07/96/32/953079632.db2.gz FXMJKEUVZQHVOQ-STQMWFEESA-N 0 1 382.432 0.508 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@H]([C@H](C)NC(=O)c3cnn[nH]3)C2)n1 ZINC001571211819 953081593 /nfs/dbraw/zinc/08/15/93/953081593.db2.gz GLMPHGLIRVFDGW-RYUDHWBXSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1cc(NC[C@]2(C)CCN(C(=O)c3cn(C)nn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211939 953082391 /nfs/dbraw/zinc/08/23/91/953082391.db2.gz IVJVLGXSTHKFKY-KRWDZBQOSA-N 0 1 382.432 0.085 20 0 GCADMN Cc1cc(N[C@H]2C[C@@H](C)N(C(=O)CCn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212185 953085145 /nfs/dbraw/zinc/08/51/45/953085145.db2.gz KRFXHBUMUUCSII-OLZOCXBDSA-N 0 1 382.432 0.075 20 0 GCADMN Cc1cc(N[C@@H]2C[C@H](C)N(C(=O)CCn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212186 953085468 /nfs/dbraw/zinc/08/54/68/953085468.db2.gz KRFXHBUMUUCSII-QWHCGFSZSA-N 0 1 382.432 0.075 20 0 GCADMN Cc1cc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)n(C)n1 ZINC001571212345 953086799 /nfs/dbraw/zinc/08/67/99/953086799.db2.gz MBLOTGYLEHBQNS-LBPRGKRZSA-N 0 1 382.432 0.227 20 0 GCADMN Cc1nc(CN2CC[C@]3(NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)CCC[C@@H]23)n[nH]1 ZINC001571212689 953089578 /nfs/dbraw/zinc/08/95/78/953089578.db2.gz OIAICYMJXMLUKE-CXAGYDPISA-N 0 1 382.432 0.548 20 0 GCADMN Cc1nc(C)c(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)[nH]1 ZINC001571212809 953090808 /nfs/dbraw/zinc/09/08/08/953090808.db2.gz PIYDYLFHAYORGU-UHFFFAOYSA-N 0 1 382.432 0.383 20 0 GCADMN Cc1nc([C@H](C)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)n[nH]1 ZINC001571213093 953092206 /nfs/dbraw/zinc/09/22/06/953092206.db2.gz QQOBUEPGUCKMFZ-ZBPZKIAKSA-N 0 1 382.432 0.290 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)c3cn(C)nn3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213030 953092266 /nfs/dbraw/zinc/09/22/66/953092266.db2.gz PUPZUYMQLKDXSV-RYUDHWBXSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571214008 953098773 /nfs/dbraw/zinc/09/87/73/953098773.db2.gz UZWJFEGEHLPZTC-IXKJSCDLSA-N 0 1 382.472 0.829 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571214008 953098776 /nfs/dbraw/zinc/09/87/76/953098776.db2.gz UZWJFEGEHLPZTC-IXKJSCDLSA-N 0 1 382.472 0.829 20 0 GCADMN CN1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)nc1 ZINC001571214326 953101945 /nfs/dbraw/zinc/10/19/45/953101945.db2.gz XLMJTIAJHHFWBS-VDNDLQMASA-N 0 1 382.472 0.972 20 0 GCADMN Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCN2C)C3)ccc1-c1nn[nH]n1 ZINC001571217308 953107408 /nfs/dbraw/zinc/10/74/08/953107408.db2.gz FFIVKUFJTPTCAT-OEAJRASXSA-N 0 1 382.472 0.890 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571217865 953111159 /nfs/dbraw/zinc/11/11/59/953111159.db2.gz QZCMCIPQFHFFLI-ZWNOBZJWSA-N 0 1 383.391 0.978 20 0 GCADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)c3cccc(F)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571218281 953114054 /nfs/dbraw/zinc/11/40/54/953114054.db2.gz VDUPBNMBVVOBPN-GDBMZVCRSA-N 0 1 383.387 0.689 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571219050 953122183 /nfs/dbraw/zinc/12/21/83/953122183.db2.gz TTWZPUMXLSVRGS-DTWKUNHWSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571219050 953122184 /nfs/dbraw/zinc/12/21/84/953122184.db2.gz TTWZPUMXLSVRGS-DTWKUNHWSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571219050 953122187 /nfs/dbraw/zinc/12/21/87/953122187.db2.gz TTWZPUMXLSVRGS-DTWKUNHWSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571219050 953122190 /nfs/dbraw/zinc/12/21/90/953122190.db2.gz TTWZPUMXLSVRGS-DTWKUNHWSA-N 0 1 382.881 0.623 20 0 GCADMN CCc1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)no1 ZINC001571222043 953130286 /nfs/dbraw/zinc/13/02/86/953130286.db2.gz ALBYKGJVPYDTFH-ZYHUDNBSSA-N 0 1 383.416 0.592 20 0 GCADMN CCc1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)no1 ZINC001571222041 953130540 /nfs/dbraw/zinc/13/05/40/953130540.db2.gz ALBYKGJVPYDTFH-JQWIXIFHSA-N 0 1 383.416 0.592 20 0 GCADMN Cc1noc([C@@H]2OCC[C@@H]2NS(=O)(=O)c2ccsc2-c2nn[nH]n2)n1 ZINC001571222182 953131182 /nfs/dbraw/zinc/13/11/82/953131182.db2.gz DQFDCAJKICIQIK-IONNQARKSA-N 0 1 383.415 0.428 20 0 GCADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)c1n[nH]cc1C ZINC001571222673 953137499 /nfs/dbraw/zinc/13/74/99/953137499.db2.gz INACPZMZELXRPV-TZMCWYRMSA-N 0 1 383.416 0.235 20 0 GCADMN C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(C(=O)CCc2cnc[nH]2)C1 ZINC001571223156 953141491 /nfs/dbraw/zinc/14/14/91/953141491.db2.gz ONSJHLLTWMOYST-JTQLQIEISA-N 0 1 383.416 0.127 20 0 GCADMN C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(C(=O)CCc2cnc[nH]2)C1 ZINC001571223157 953141830 /nfs/dbraw/zinc/14/18/30/953141830.db2.gz ONSJHLLTWMOYST-SNVBAGLBSA-N 0 1 383.416 0.127 20 0 GCADMN CCn1cccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001571223224 953142435 /nfs/dbraw/zinc/14/24/35/953142435.db2.gz QPKAXBVVSOKRPB-DGCLKSJQSA-N 0 1 383.416 0.112 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571223291 953143335 /nfs/dbraw/zinc/14/33/35/953143335.db2.gz SKQZLZFJJWDPEN-JOYOIKCWSA-N 0 1 383.416 0.383 20 0 GCADMN Cc1nocc1C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571223463 953144549 /nfs/dbraw/zinc/14/45/49/953144549.db2.gz RFFQEYWCENDFMD-CVEARBPZSA-N 0 1 383.412 0.528 20 0 GCADMN CCc1nc(C)c(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571223554 953145414 /nfs/dbraw/zinc/14/54/14/953145414.db2.gz VDNQQSGSRVOKRP-XYPYZODXSA-N 0 1 383.416 0.558 20 0 GCADMN CCc1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)co1 ZINC001571223792 953146756 /nfs/dbraw/zinc/14/67/56/953146756.db2.gz VQLVUTTUUOMVKR-GHMZBOCLSA-N 0 1 383.416 0.734 20 0 GCADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1[nH]c(C)cc1C ZINC001571223841 953146959 /nfs/dbraw/zinc/14/69/59/953146959.db2.gz YGJLQHHLHBGKHK-VXGBXAGGSA-N 0 1 383.416 0.235 20 0 GCADMN C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)CC[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571224131 953149637 /nfs/dbraw/zinc/14/96/37/953149637.db2.gz YVKRUMCTRGTBDO-ZYHUDNBSSA-N 0 1 383.416 0.664 20 0 GCADMN Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)Nc3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571224903 953151204 /nfs/dbraw/zinc/15/12/04/953151204.db2.gz GFLVNOKJIIOQJY-ABAIWWIYSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001571225901 953154395 /nfs/dbraw/zinc/15/43/95/953154395.db2.gz OCZYQMNCYOKBKG-GXFFZTMASA-N 0 1 383.416 0.728 20 0 GCADMN Cc1nc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571225673 953154541 /nfs/dbraw/zinc/15/45/41/953154541.db2.gz NGMNHWHYIZQMOS-CABZTGNLSA-N 0 1 383.416 0.504 20 0 GCADMN Cc1ncc(C(=O)N2CCC[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)[nH]1 ZINC001571226990 953158309 /nfs/dbraw/zinc/15/83/09/953158309.db2.gz YJERIPJGHVRJBJ-JOYOIKCWSA-N 0 1 383.416 0.649 20 0 GCADMN Cc1nonc1C(=O)N1CC[C@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571227117 953158431 /nfs/dbraw/zinc/15/84/31/953158431.db2.gz ZEQUKMINAZGTLE-JQWIXIFHSA-N 0 1 383.416 0.646 20 0 GCADMN O=C(CCc1ccon1)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571228172 953162186 /nfs/dbraw/zinc/16/21/86/953162186.db2.gz JXTZPWWYKFLIEH-UHFFFAOYSA-N 0 1 383.416 0.350 20 0 GCADMN CCn1ncc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571228566 953165372 /nfs/dbraw/zinc/16/53/72/953165372.db2.gz SAHHCJANPLZWES-LLVKDONJSA-N 0 1 383.420 0.009 20 0 GCADMN Cc1n[nH]nc1C(=O)N1CCCC[C@@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001571229850 953173100 /nfs/dbraw/zinc/17/31/00/953173100.db2.gz PHIVPQJCRJXPNX-LLVKDONJSA-N 0 1 383.420 0.214 20 0 GCADMN O=C(N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1cnns1 ZINC001571230235 953175073 /nfs/dbraw/zinc/17/50/73/953175073.db2.gz AYKPPKVEDQTIHM-CHWSQXEVSA-N 0 1 383.441 0.688 20 0 GCADMN O=C(c1cscn1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571230557 953178191 /nfs/dbraw/zinc/17/81/91/953178191.db2.gz GGBJMYBVOVFUGL-CMPLNLGQSA-N 0 1 383.441 0.854 20 0 GCADMN C[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571230810 953180462 /nfs/dbraw/zinc/18/04/62/953180462.db2.gz KTDONNKOPBAFPI-MLGOLLRUSA-N 0 1 383.456 0.472 20 0 GCADMN C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230787 953180565 /nfs/dbraw/zinc/18/05/65/953180565.db2.gz KGQNDTZHEOIFTM-IMJJTQAJSA-N 0 1 383.456 0.268 20 0 GCADMN C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC001571230786 953180621 /nfs/dbraw/zinc/18/06/21/953180621.db2.gz KGQNDTZHEOIFTM-BMFZPTHFSA-N 0 1 383.456 0.268 20 0 GCADMN CN(C)C(=O)[C@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571230961 953181957 /nfs/dbraw/zinc/18/19/57/953181957.db2.gz OIPISLUMRXDIRO-GOEBONIOSA-N 0 1 383.456 0.772 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1cnsn1 ZINC001571231486 953184667 /nfs/dbraw/zinc/18/46/67/953184667.db2.gz YDPGWNGSNIJTML-OLZOCXBDSA-N 0 1 383.441 0.688 20 0 GCADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C)[C@@H]2CCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571231975 953185551 /nfs/dbraw/zinc/18/55/51/953185551.db2.gz AHSAXGGBPSZLFS-BQHCWPDZSA-N 0 1 383.456 0.936 20 0 GCADMN O=C(N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC(=O)NC1 ZINC001571232502 953187541 /nfs/dbraw/zinc/18/75/41/953187541.db2.gz GZUJSQDNXLKHNM-HZPDHXFCSA-N 0 1 383.456 0.474 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232625 953188327 /nfs/dbraw/zinc/18/83/27/953188327.db2.gz INDIYVUDHNPLLC-QDEZUTFSSA-N 0 1 383.456 0.820 20 0 GCADMN C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571233601 953193884 /nfs/dbraw/zinc/19/38/84/953193884.db2.gz YJDHIEYATQJRHJ-QWHCGFSZSA-N 0 1 383.460 0.544 20 0 GCADMN C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571233601 953193890 /nfs/dbraw/zinc/19/38/90/953193890.db2.gz YJDHIEYATQJRHJ-QWHCGFSZSA-N 0 1 383.460 0.544 20 0 GCADMN O=C(N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)C12CCC[NH+](CCC1)C2 ZINC001571233987 953197544 /nfs/dbraw/zinc/19/75/44/953197544.db2.gz JTGKJEHXMDKBSZ-UHFFFAOYSA-N 0 1 383.460 0.181 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001571234024 953198058 /nfs/dbraw/zinc/19/80/58/953198058.db2.gz KUYOSFRPFMBORF-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001571234024 953198059 /nfs/dbraw/zinc/19/80/59/953198059.db2.gz KUYOSFRPFMBORF-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN O=C(NCC1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)C12CC[NH+](CC1)C2 ZINC001571234047 953198275 /nfs/dbraw/zinc/19/82/75/953198275.db2.gz LRMKTTNEIVALHD-UHFFFAOYSA-N 0 1 383.460 0.085 20 0 GCADMN O=C(NCC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)C12CC[NH+](CC1)C2 ZINC001571234047 953198277 /nfs/dbraw/zinc/19/82/77/953198277.db2.gz LRMKTTNEIVALHD-UHFFFAOYSA-N 0 1 383.460 0.085 20 0 GCADMN O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C12CC[NH+](CC1)C2 ZINC001571234065 953198340 /nfs/dbraw/zinc/19/83/40/953198340.db2.gz MEBCXZARVYEKFK-STQMWFEESA-N 0 1 383.460 0.449 20 0 GCADMN O=C(N[C@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C12CC[NH+](CC1)C2 ZINC001571234065 953198342 /nfs/dbraw/zinc/19/83/42/953198342.db2.gz MEBCXZARVYEKFK-STQMWFEESA-N 0 1 383.460 0.449 20 0 GCADMN O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571234090 953199102 /nfs/dbraw/zinc/19/91/02/953199102.db2.gz MYBNDHVSFJPVJO-GJZGRUSLSA-N 0 1 383.460 0.322 20 0 GCADMN O=C(C[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571234092 953199208 /nfs/dbraw/zinc/19/92/08/953199208.db2.gz MYBNDHVSFJPVJO-LSDHHAIUSA-N 0 1 383.460 0.322 20 0 GCADMN O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571234215 953200014 /nfs/dbraw/zinc/20/00/14/953200014.db2.gz PYKDPASAWHSXQL-TZMCWYRMSA-N 0 1 383.460 0.259 20 0 GCADMN O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571234215 953200016 /nfs/dbraw/zinc/20/00/16/953200016.db2.gz PYKDPASAWHSXQL-TZMCWYRMSA-N 0 1 383.460 0.259 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571234318 953200257 /nfs/dbraw/zinc/20/02/57/953200257.db2.gz UFZYBYZWSCSFJR-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571234318 953200259 /nfs/dbraw/zinc/20/02/59/953200259.db2.gz UFZYBYZWSCSFJR-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)n1 ZINC001571234375 953201347 /nfs/dbraw/zinc/20/13/47/953201347.db2.gz VSRKFDRMTVEMCG-JLNYLFASSA-N 0 1 383.460 0.143 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)n1 ZINC001571234375 953201350 /nfs/dbraw/zinc/20/13/50/953201350.db2.gz VSRKFDRMTVEMCG-JLNYLFASSA-N 0 1 383.460 0.143 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)n1 ZINC001571234375 953201352 /nfs/dbraw/zinc/20/13/52/953201352.db2.gz VSRKFDRMTVEMCG-JLNYLFASSA-N 0 1 383.460 0.143 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)n1 ZINC001571234375 953201353 /nfs/dbraw/zinc/20/13/53/953201353.db2.gz VSRKFDRMTVEMCG-JLNYLFASSA-N 0 1 383.460 0.143 20 0 GCADMN O=C(CNC(=O)OCC(F)(F)F)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001571235032 953208086 /nfs/dbraw/zinc/20/80/86/953208086.db2.gz QOEHAPVVIHTTQD-UHFFFAOYSA-N 0 1 384.278 0.970 20 0 GCADMN O=C(COc1ccccc1F)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571235404 953212192 /nfs/dbraw/zinc/21/21/92/953212192.db2.gz CQPRLGNURBWYLE-LLVKDONJSA-N 0 1 384.375 0.310 20 0 GCADMN CCCc1occc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001571236136 953215729 /nfs/dbraw/zinc/21/57/29/953215729.db2.gz RSEBDOQWMNWYIF-NEPJUHHUSA-N 0 1 384.400 0.182 20 0 GCADMN COc1cc(C(=O)N2CC[C@@](C)(CNc3ccncc3-c3nn[nH]n3)C2)on1 ZINC001571235875 953215881 /nfs/dbraw/zinc/21/58/81/953215881.db2.gz QHMWOTWCXZPGOO-KRWDZBQOSA-N 0 1 384.400 0.645 20 0 GCADMN COc1cc(C(=O)N2CC[C@](C)(CNc3ccncc3-c3nn[nH]n3)C2)on1 ZINC001571235876 953216001 /nfs/dbraw/zinc/21/60/01/953216001.db2.gz QHMWOTWCXZPGOO-QGZVFWFLSA-N 0 1 384.400 0.645 20 0 GCADMN COc1ccc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571236656 953218248 /nfs/dbraw/zinc/21/82/48/953218248.db2.gz APDMBYFJMUCHOX-QGZVFWFLSA-N 0 1 384.400 0.645 20 0 GCADMN C[C@@H](NC(=O)c1ncn[nH]1)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571236687 953218806 /nfs/dbraw/zinc/21/88/06/953218806.db2.gz BHJDHKMLOGELDD-SKDRFNHKSA-N 0 1 384.404 0.126 20 0 GCADMN C[C@@H](NC(=O)c1nc[nH]n1)[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571236687 953218809 /nfs/dbraw/zinc/21/88/09/953218809.db2.gz BHJDHKMLOGELDD-SKDRFNHKSA-N 0 1 384.404 0.126 20 0 GCADMN COc1cc(CCC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)on1 ZINC001571237643 953222056 /nfs/dbraw/zinc/22/20/56/953222056.db2.gz KHDYPNDKVWQEIK-NSHDSACASA-N 0 1 384.400 0.326 20 0 GCADMN Cc1cc(OCC(=O)N2C[C@@H](C)[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)no1 ZINC001571238275 953226981 /nfs/dbraw/zinc/22/69/81/953226981.db2.gz YKIBXKHVLHHEHR-YGRLFVJLSA-N 0 1 384.400 0.318 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571238908 953233894 /nfs/dbraw/zinc/23/38/94/953233894.db2.gz OIUSCMNFRUQPON-SNVBAGLBSA-N 0 1 384.404 0.183 20 0 GCADMN C[N@H+]1C[C@@H]2CC[C@@H]([N-]S(=O)(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)[C@H]2C1 ZINC001571239029 953234679 /nfs/dbraw/zinc/23/46/79/953234679.db2.gz FICAQLBGVMBSHV-GMOODISLSA-N 0 1 384.412 0.763 20 0 GCADMN 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CNC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2sc(C(=O)[O-])c(C)c2C(=O)OC)C1 ZINC001598633014 994201658 /nfs/dbraw/zinc/20/16/58/994201658.db2.gz JLXXJZFXYLRJIK-QGZVFWFLSA-N 0 1 397.453 0.938 20 0 GCADMN CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])C1 ZINC001598634377 994224559 /nfs/dbraw/zinc/22/45/59/994224559.db2.gz YKMNNBQYTCBYDJ-KRWDZBQOSA-N 0 1 397.453 0.938 20 0 GCADMN CNC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)[O-])C1 ZINC001598634377 994224566 /nfs/dbraw/zinc/22/45/66/994224566.db2.gz YKMNNBQYTCBYDJ-KRWDZBQOSA-N 0 1 397.453 0.938 20 0 GCADMN CNC(=O)C1([NH2+]CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCOCC1 ZINC001598635797 994246282 /nfs/dbraw/zinc/24/62/82/994246282.db2.gz PKWPRVFHZWOEEE-UHFFFAOYSA-N 0 1 381.454 0.758 20 0 GCADMN CNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)OC)CC1 ZINC001598639112 994289363 /nfs/dbraw/zinc/28/93/63/994289363.db2.gz QPQITNZHCSMESU-LLVKDONJSA-N 0 1 391.424 0.956 20 0 GCADMN CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2sc(C)cc2C(=O)[O-])CC1 ZINC001598642381 994333205 /nfs/dbraw/zinc/33/32/05/994333205.db2.gz IRSQITXZAIHLID-UHFFFAOYSA-N 0 1 382.442 0.020 20 0 GCADMN CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)CC1 ZINC001598643035 994343344 /nfs/dbraw/zinc/34/33/44/994343344.db2.gz NRETVQZRPIKZDM-IAGOWNOFSA-N 0 1 388.468 0.707 20 0 GCADMN CNC(=O)Oc1cccc(NC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001598654786 994504266 /nfs/dbraw/zinc/50/42/66/994504266.db2.gz XYZIZHINHSKNHZ-GOSISDBHSA-N 0 1 392.412 0.798 20 0 GCADMN CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001598660708 994591622 /nfs/dbraw/zinc/59/16/22/994591622.db2.gz QQAYZZYZYRXTPE-FZMZJTMJSA-N 0 1 386.412 0.610 20 0 GCADMN CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001598660708 994591631 /nfs/dbraw/zinc/59/16/31/994591631.db2.gz QQAYZZYZYRXTPE-FZMZJTMJSA-N 0 1 386.412 0.610 20 0 GCADMN COc1cccc(CCNC(=O)C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC001599671624 994823123 /nfs/dbraw/zinc/82/31/23/994823123.db2.gz FIVULXURLGBRSM-CQSZACIVSA-N 0 1 377.441 0.361 20 0 GCADMN COc1cccc(CCNC(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC001599671624 994823129 /nfs/dbraw/zinc/82/31/29/994823129.db2.gz FIVULXURLGBRSM-CQSZACIVSA-N 0 1 377.441 0.361 20 0 GCADMN C[C@](O)(C[NH+]1CCC2(CC(C(=O)[O-])=NO2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001593391050 995126579 /nfs/dbraw/zinc/12/65/79/995126579.db2.gz PRHAXJKDJOGPPW-KRWDZBQOSA-N 0 1 396.465 0.993 20 0 GCADMN COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598696510 995146197 /nfs/dbraw/zinc/14/61/97/995146197.db2.gz DKEVZGVURBNUSI-STQMWFEESA-N 0 1 381.433 0.317 20 0 GCADMN COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001598696510 995146202 /nfs/dbraw/zinc/14/62/02/995146202.db2.gz DKEVZGVURBNUSI-STQMWFEESA-N 0 1 381.433 0.317 20 0 GCADMN C[C@@](O)(C[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1)C(=O)[O-] ZINC001593396812 995146379 /nfs/dbraw/zinc/14/63/79/995146379.db2.gz WIYSYWPNQRFCIJ-GOSISDBHSA-N 0 1 393.465 0.767 20 0 GCADMN COC(=O)C1(C2(O)CC[NH+](CC(=O)N3CCC(C(=O)[O-])CC3)CC2)CCC1 ZINC001598719149 995455249 /nfs/dbraw/zinc/45/52/49/995455249.db2.gz YISFIXUKLFIVHJ-UHFFFAOYSA-N 0 1 382.457 0.480 20 0 GCADMN COC(=O)[C@@]1(N2CC[NH+](CCOc3cccc(C(=O)[O-])c3)CC2)CCOC1 ZINC001598722168 995493317 /nfs/dbraw/zinc/49/33/17/995493317.db2.gz PKZLDUSVRYFXHV-LJQANCHMSA-N 0 1 378.425 0.713 20 0 GCADMN COC(=O)[C@@]1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001598723447 995503735 /nfs/dbraw/zinc/50/37/35/995503735.db2.gz HCONZZQEZXFYSK-GQIGUUNPSA-N 0 1 390.436 0.943 20 0 GCADMN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC001598759172 995756482 /nfs/dbraw/zinc/75/64/82/995756482.db2.gz MLHYVLJZXSMYLB-GJZGRUSLSA-N 0 1 377.445 0.067 20 0 GCADMN COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)CN1CCC3(C[C@@H]3C(=O)[O-])CC1)CC2 ZINC001598764084 995809669 /nfs/dbraw/zinc/80/96/69/995809669.db2.gz FDADAYZMDAFDHL-XHSDSOJGSA-N 0 1 380.485 0.809 20 0 GCADMN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)CCS2 ZINC001598766948 995842836 /nfs/dbraw/zinc/84/28/36/995842836.db2.gz VYCIHJUIANFRKD-HPGRBHQUSA-N 0 1 399.513 0.862 20 0 GCADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001598774774 995918480 /nfs/dbraw/zinc/91/84/80/995918480.db2.gz FANXZUJBNOEUIY-CABCVRRESA-N 0 1 399.488 0.877 20 0 GCADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC001598774774 995918485 /nfs/dbraw/zinc/91/84/85/995918485.db2.gz FANXZUJBNOEUIY-CABCVRRESA-N 0 1 399.488 0.877 20 0 GCADMN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001598776420 995934461 /nfs/dbraw/zinc/93/44/61/995934461.db2.gz KVJTZPHHCQVBOD-LSDHHAIUSA-N 0 1 399.488 0.877 20 0 GCADMN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC001598779029 995962995 /nfs/dbraw/zinc/96/29/95/995962995.db2.gz QRTVXXGGJWEEOC-WFASDCNBSA-N 0 1 385.438 0.807 20 0 GCADMN C[C@H](Oc1ccccc1C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)C(=O)[O-] ZINC001593648344 995996427 /nfs/dbraw/zinc/99/64/27/995996427.db2.gz IIMPPDXITLYFMX-NSHDSACASA-N 0 1 378.472 0.686 20 0 GCADMN COC(=O)C1CCC(NC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001598786128 996030749 /nfs/dbraw/zinc/03/07/49/996030749.db2.gz AAOAGAGEURWRRW-WTNGLUPJSA-N 0 1 383.445 0.289 20 0 GCADMN COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001598790180 996065025 /nfs/dbraw/zinc/06/50/25/996065025.db2.gz PDAFSEDSDGAGPN-WCQYABFASA-N 0 1 379.417 0.023 20 0 GCADMN COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)[O-])C[C@H]2[C@@H]2CCCO2)CC1 ZINC001598793154 996090762 /nfs/dbraw/zinc/09/07/62/996090762.db2.gz INCMZOXYYYHXAJ-JYJNAYRXSA-N 0 1 382.457 0.742 20 0 GCADMN COC(=O)[C@H]1CC[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC001598801868 996145504 /nfs/dbraw/zinc/14/55/04/996145504.db2.gz VMSXHGIOSPEFJM-SWLSCSKDSA-N 0 1 385.438 0.807 20 0 GCADMN COC(=O)[C@H]1CC[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC001598801868 996145505 /nfs/dbraw/zinc/14/55/05/996145505.db2.gz VMSXHGIOSPEFJM-SWLSCSKDSA-N 0 1 385.438 0.807 20 0 GCADMN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H](C(=O)[O-])C1 ZINC001598802700 996153579 /nfs/dbraw/zinc/15/35/79/996153579.db2.gz HQYRGAUTFKBOSJ-UKRRQHHQSA-N 0 1 384.454 0.775 20 0 GCADMN COC(=O)[C@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C(=O)[O-])C1 ZINC001598804985 996177056 /nfs/dbraw/zinc/17/70/56/996177056.db2.gz VGTAJRWABPKLOL-ZFWWWQNUSA-N 0 1 384.454 0.775 20 0 GCADMN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C(=O)[O-])C1 ZINC001598804985 996177061 /nfs/dbraw/zinc/17/70/61/996177061.db2.gz VGTAJRWABPKLOL-ZFWWWQNUSA-N 0 1 384.454 0.775 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC001598806568 996192757 /nfs/dbraw/zinc/19/27/57/996192757.db2.gz DVMPKBWSDZODDB-BZUAXINKSA-N 0 1 375.425 0.776 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C[C@H]1C(=O)[O-] ZINC001598807383 996199632 /nfs/dbraw/zinc/19/96/32/996199632.db2.gz MFBPFQMMUJOADV-FOGDFJRCSA-N 0 1 385.214 0.781 20 0 GCADMN COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC001598816895 996280098 /nfs/dbraw/zinc/28/00/98/996280098.db2.gz DSUALKQTZDWSSA-FBIMIBRVSA-N 0 1 376.369 0.401 20 0 GCADMN COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598818626 996298905 /nfs/dbraw/zinc/29/89/05/996298905.db2.gz KWUMJXLWTGKFBM-NGFQHRJXSA-N 0 1 376.409 0.821 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)CC[N@@H+](C)C1 ZINC001598818801 996301647 /nfs/dbraw/zinc/30/16/47/996301647.db2.gz LQDJRGOAOSJNOR-ZDUSSCGKSA-N 0 1 379.413 0.640 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598818965 996303263 /nfs/dbraw/zinc/30/32/63/996303263.db2.gz MVJPGNPIKBNFTO-KGYLQXTDSA-N 0 1 380.397 0.836 20 0 GCADMN COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)C[C@@H]1C(=O)[O-] ZINC001598818965 996303268 /nfs/dbraw/zinc/30/32/68/996303268.db2.gz MVJPGNPIKBNFTO-KGYLQXTDSA-N 0 1 380.397 0.836 20 0 GCADMN COC(=O)[C@@H]1C[N@H+](CN2CCN(Cc3cccc(F)c3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598829939 996425918 /nfs/dbraw/zinc/42/59/18/996425918.db2.gz VKRSJRPHZLRIIZ-LSDHHAIUSA-N 0 1 379.388 0.826 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2CCN(Cc3cccc(F)c3)C2=O)C[C@@H]1C(=O)[O-] ZINC001598829939 996425919 /nfs/dbraw/zinc/42/59/19/996425919.db2.gz VKRSJRPHZLRIIZ-LSDHHAIUSA-N 0 1 379.388 0.826 20 0 GCADMN COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC001598830507 996431491 /nfs/dbraw/zinc/43/14/91/996431491.db2.gz IYMSXVWLGQMDBZ-PTNGSMBKSA-N 0 1 386.470 0.922 20 0 GCADMN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001598831202 996438957 /nfs/dbraw/zinc/43/89/57/996438957.db2.gz RGAGHKBRCNFKJR-FUHWJXTLSA-N 0 1 390.436 0.270 20 0 GCADMN 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CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC000737113091 600341734 /nfs/dbraw/zinc/34/17/34/600341734.db2.gz AAPVSBLTDGNPAC-CYBMUJFWSA-N 0 1 387.506 0.453 20 0 GCADMN O=C([O-])c1cc(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1F ZINC000739416028 600349284 /nfs/dbraw/zinc/34/92/84/600349284.db2.gz SZHNVRUFUMODFR-CYBMUJFWSA-N 0 1 381.404 0.816 20 0 GCADMN Cc1cc(CNC(=O)C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)n[nH]1 ZINC000822199613 607438939 /nfs/dbraw/zinc/43/89/39/607438939.db2.gz AYSQOYRLIUDNHL-UHFFFAOYSA-N 0 1 384.400 0.940 20 0 GCADMN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000737979604 600371826 /nfs/dbraw/zinc/37/18/26/600371826.db2.gz FETZSPLWOPMNPG-ADLMAVQZSA-N 0 1 392.412 0.146 20 0 GCADMN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-])C2=O)c1 ZINC000738095135 600372772 /nfs/dbraw/zinc/37/27/72/600372772.db2.gz DQLMQGVJEZSBEE-ADLMAVQZSA-N 0 1 392.412 0.146 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@@H+]1CCOC ZINC000736940788 600375553 /nfs/dbraw/zinc/37/55/53/600375553.db2.gz ULQHHKCOQVHENQ-HNNXBMFYSA-N 0 1 393.440 0.658 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1CCOC ZINC000736940788 600375557 /nfs/dbraw/zinc/37/55/57/600375557.db2.gz ULQHHKCOQVHENQ-HNNXBMFYSA-N 0 1 393.440 0.658 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000736939693 600375955 /nfs/dbraw/zinc/37/59/55/600375955.db2.gz QQZBSJDYIPCWMD-INIZCTEOSA-N 0 1 392.456 0.962 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC[N@H+]1CCOC ZINC000736939693 600375958 /nfs/dbraw/zinc/37/59/58/600375958.db2.gz QQZBSJDYIPCWMD-INIZCTEOSA-N 0 1 392.456 0.962 20 0 GCADMN C[C@H](C[N@@H+](C)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000736573876 600376287 /nfs/dbraw/zinc/37/62/87/600376287.db2.gz XXCPCTNPZJYXPP-CQSZACIVSA-N 0 1 377.441 0.428 20 0 GCADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000736206863 600411872 /nfs/dbraw/zinc/41/18/72/600411872.db2.gz ZMAAEXGGTFTMPN-AWEZNQCLSA-N 0 1 388.468 0.619 20 0 GCADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821655795 607443116 /nfs/dbraw/zinc/44/31/16/607443116.db2.gz RSOVLHKNUIIDNH-DHMWGJHJSA-N 0 1 386.460 0.911 20 0 GCADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821655795 607443117 /nfs/dbraw/zinc/44/31/17/607443117.db2.gz RSOVLHKNUIIDNH-DHMWGJHJSA-N 0 1 386.460 0.911 20 0 GCADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821655798 607443302 /nfs/dbraw/zinc/44/33/02/607443302.db2.gz RSOVLHKNUIIDNH-VIRABCJISA-N 0 1 386.460 0.911 20 0 GCADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000821655798 607443304 /nfs/dbraw/zinc/44/33/04/607443304.db2.gz RSOVLHKNUIIDNH-VIRABCJISA-N 0 1 386.460 0.911 20 0 GCADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)[O-] ZINC000736874813 600431347 /nfs/dbraw/zinc/43/13/47/600431347.db2.gz DQYYIVYGIWLYFC-GUYCJALGSA-N 0 1 393.488 0.477 20 0 GCADMN O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000262198054 600436757 /nfs/dbraw/zinc/43/67/57/600436757.db2.gz ZRSBXTRMVVHUKF-HNNXBMFYSA-N 0 1 381.454 0.069 20 0 GCADMN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000262198054 600436760 /nfs/dbraw/zinc/43/67/60/600436760.db2.gz ZRSBXTRMVVHUKF-HNNXBMFYSA-N 0 1 381.454 0.069 20 0 GCADMN Cc1nc(CN2CC[NH+](CCCN3C(=O)CS/C3=C\C(=O)[O-])CC2)no1 ZINC000738856763 600442996 /nfs/dbraw/zinc/44/29/96/600442996.db2.gz GOSKYTROQKEHMR-DHDCSXOGSA-N 0 1 381.458 0.387 20 0 GCADMN CCc1nc([C@@H]2CN(Cc3cnc4ccc(-c5nn[nH]n5)cn34)CCO2)n[nH]1 ZINC000821504547 607444459 /nfs/dbraw/zinc/44/44/59/607444459.db2.gz HHKUYPLWQKWDJZ-ZDUSSCGKSA-N 0 1 380.416 0.768 20 0 GCADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000738473741 600469442 /nfs/dbraw/zinc/46/94/42/600469442.db2.gz TYPYWPCRWOMZSW-DZGCQCFKSA-N 0 1 391.424 0.376 20 0 GCADMN O=C([O-])COc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000739822822 600469522 /nfs/dbraw/zinc/46/95/22/600469522.db2.gz ARLZIDGNVJAKDW-ZFWWWQNUSA-N 0 1 377.397 0.068 20 0 GCADMN O=C([O-])NCc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000739980090 600469653 /nfs/dbraw/zinc/46/96/53/600469653.db2.gz FSGKJQCJYBJTIT-LSDHHAIUSA-N 0 1 376.413 0.372 20 0 GCADMN COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC000737807458 600470939 /nfs/dbraw/zinc/47/09/39/600470939.db2.gz BMCVRWUFKHJAJX-JTQLQIEISA-N 0 1 385.367 0.829 20 0 GCADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736200052 600500825 /nfs/dbraw/zinc/50/08/25/600500825.db2.gz MRPGUNFRYOXYQI-ZYHUDNBSSA-N 0 1 379.379 0.793 20 0 GCADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000736200052 600500826 /nfs/dbraw/zinc/50/08/26/600500826.db2.gz MRPGUNFRYOXYQI-ZYHUDNBSSA-N 0 1 379.379 0.793 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(F)c(NC(=O)[O-])c1)C[NH+]1CCOCC1 ZINC000736587615 600508210 /nfs/dbraw/zinc/50/82/10/600508210.db2.gz DNGWJCJOYUEXIF-NSHDSACASA-N 0 1 382.392 0.939 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000736588339 600508304 /nfs/dbraw/zinc/50/83/04/600508304.db2.gz MWWHBZDYMOOWJX-ZDUSSCGKSA-N 0 1 379.413 0.173 20 0 GCADMN CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736395808 600509384 /nfs/dbraw/zinc/50/93/84/600509384.db2.gz KHTDICYKJBTKKE-HOCLYGCPSA-N 0 1 375.425 0.664 20 0 GCADMN CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC000736395808 600509385 /nfs/dbraw/zinc/50/93/85/600509385.db2.gz KHTDICYKJBTKKE-HOCLYGCPSA-N 0 1 375.425 0.664 20 0 GCADMN NS(=O)(=O)c1ccc(NC(=O)C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000739197005 600512493 /nfs/dbraw/zinc/51/24/93/600512493.db2.gz CNSFRTLDIVIURY-CYBMUJFWSA-N 0 1 385.442 0.228 20 0 GCADMN NS(=O)(=O)c1ccc(NC(=O)C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)cc1 ZINC000739197005 600512496 /nfs/dbraw/zinc/51/24/96/600512496.db2.gz CNSFRTLDIVIURY-CYBMUJFWSA-N 0 1 385.442 0.228 20 0 GCADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)N2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000737684042 600515964 /nfs/dbraw/zinc/51/59/64/600515964.db2.gz ISJRIEVJSGLWME-OLZOCXBDSA-N 0 1 393.440 0.497 20 0 GCADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000737680056 600516030 /nfs/dbraw/zinc/51/60/30/600516030.db2.gz CVVFOHTUERBCBP-CHWSQXEVSA-N 0 1 393.440 0.497 20 0 GCADMN O=C([O-])CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1 ZINC000739738812 600519084 /nfs/dbraw/zinc/51/90/84/600519084.db2.gz ALDLNVQZDYFACY-UHFFFAOYSA-N 0 1 381.454 0.644 20 0 GCADMN COCCN(CCC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[C@@H](C)C(N)=O ZINC000821689085 607450373 /nfs/dbraw/zinc/45/03/73/607450373.db2.gz KDDZGUPPJALQFH-JTQLQIEISA-N 0 1 395.851 0.671 20 0 GCADMN Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 ZINC000822899848 607453206 /nfs/dbraw/zinc/45/32/06/607453206.db2.gz VSBNFTPNGAXJTC-NSHDSACASA-N 0 1 390.411 0.645 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000736587817 600570534 /nfs/dbraw/zinc/57/05/34/600570534.db2.gz FPUWZWLISCSYGO-LBPRGKRZSA-N 0 1 396.875 0.976 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000736586011 600571557 /nfs/dbraw/zinc/57/15/57/600571557.db2.gz LFCNETCPVYHVIT-LBPRGKRZSA-N 0 1 396.875 0.976 20 0 GCADMN COc1ccc(S(=O)(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C(=O)[O-] ZINC000738061753 600585367 /nfs/dbraw/zinc/58/53/67/600585367.db2.gz JOGGEBXSQQPZJR-AWEZNQCLSA-N 0 1 397.497 0.794 20 0 GCADMN O=C([O-])CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 ZINC000739781176 600604474 /nfs/dbraw/zinc/60/44/74/600604474.db2.gz JPJNHEKEXIISDP-QGZVFWFLSA-N 0 1 389.452 0.818 20 0 GCADMN O=C([O-])c1ccc(CCC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000739257204 600622805 /nfs/dbraw/zinc/62/28/05/600622805.db2.gz XJEJZNHDWWFUNJ-GOSISDBHSA-N 0 1 375.469 0.840 20 0 GCADMN Cn1cc(C[N@H+]2CCCN(c3ccc(S(N)(=O)=O)cc3C(=O)[O-])CC2)cn1 ZINC000739032902 600624135 /nfs/dbraw/zinc/62/41/35/600624135.db2.gz AGJPTQWYDDUMNJ-UHFFFAOYSA-N 0 1 393.469 0.478 20 0 GCADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OCCO)C2)cc(C(=O)[O-])c1 ZINC000737661307 600627742 /nfs/dbraw/zinc/62/77/42/600627742.db2.gz RNDYUEAOERKGOF-LRDDRELGSA-N 0 1 394.424 0.972 20 0 GCADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OCCO)C2)cc(C(=O)[O-])c1 ZINC000737661307 600627744 /nfs/dbraw/zinc/62/77/44/600627744.db2.gz RNDYUEAOERKGOF-LRDDRELGSA-N 0 1 394.424 0.972 20 0 GCADMN C[N@H+]1CCC[C@H](N2CCN(CC(=O)Nc3nc(CC(=O)[O-])cs3)CC2)C1 ZINC000737521824 600628990 /nfs/dbraw/zinc/62/89/90/600628990.db2.gz PNYJYAZGCRSOGW-AWEZNQCLSA-N 0 1 381.502 0.421 20 0 GCADMN C[NH+]1CCN(C(=O)CCNC(=O)Nc2nnc(CCCC(=O)[O-])s2)CC1 ZINC000737515199 600634730 /nfs/dbraw/zinc/63/47/30/600634730.db2.gz 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CC[N@@H+]1C[C@H](NC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)[C@@H](C)C1 ZINC000821241513 606692624 /nfs/dbraw/zinc/69/26/24/606692624.db2.gz OITJSPDOOAVMCU-ZBEGNZNMSA-N 0 1 397.487 0.915 20 0 GCADMN CC[N@H+]1C[C@H](NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)[C@@H](C)C1 ZINC000821241513 606692625 /nfs/dbraw/zinc/69/26/25/606692625.db2.gz OITJSPDOOAVMCU-ZBEGNZNMSA-N 0 1 397.487 0.915 20 0 GCADMN CC[N@@H+]1C[C@H](NC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)[C@@H](C)C1 ZINC000821241513 606692626 /nfs/dbraw/zinc/69/26/26/606692626.db2.gz OITJSPDOOAVMCU-ZBEGNZNMSA-N 0 1 397.487 0.915 20 0 GCADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[S@@](=O)C1 ZINC000821586357 606810788 /nfs/dbraw/zinc/81/07/88/606810788.db2.gz UOWQLAFQECOQSQ-YVORESIASA-N 0 1 391.501 0.461 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)CC1 ZINC000820128610 606829411 /nfs/dbraw/zinc/82/94/11/606829411.db2.gz RKMDINMNTCKTPG-CQSZACIVSA-N 0 1 399.503 0.814 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)CC1 ZINC000820128610 606829412 /nfs/dbraw/zinc/82/94/12/606829412.db2.gz RKMDINMNTCKTPG-CQSZACIVSA-N 0 1 399.503 0.814 20 0 GCADMN C[C@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000819856763 606831083 /nfs/dbraw/zinc/83/10/83/606831083.db2.gz LKGGQLJZBJDCNU-HUUCEWRRSA-N 0 1 399.503 0.958 20 0 GCADMN C[C@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000819856763 606831086 /nfs/dbraw/zinc/83/10/86/606831086.db2.gz LKGGQLJZBJDCNU-HUUCEWRRSA-N 0 1 399.503 0.958 20 0 GCADMN C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820777424 606831301 /nfs/dbraw/zinc/83/13/01/606831301.db2.gz RCBMORDUMZRMSP-MELADBBJSA-N 0 1 385.476 0.567 20 0 GCADMN C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820777424 606831303 /nfs/dbraw/zinc/83/13/03/606831303.db2.gz RCBMORDUMZRMSP-MELADBBJSA-N 0 1 385.476 0.567 20 0 GCADMN O=S(=O)(c1ccc(F)cc1-c1nn[n-]n1)N1CCN(c2cc[nH+]cc2)CC1 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C[C@@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820286259 606895178 /nfs/dbraw/zinc/89/51/78/606895178.db2.gz ACIAVJZDVWWDRK-WCBMZHEXSA-N 0 1 389.384 0.617 20 0 GCADMN O=S(=O)(NCCCO[C@H]1CCOC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572376 606896202 /nfs/dbraw/zinc/89/62/02/606896202.db2.gz HEOUOVXVNHGJFD-JTQLQIEISA-N 0 1 389.384 0.619 20 0 GCADMN CCCN(C)S(=O)(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821088834 607003693 /nfs/dbraw/zinc/00/36/93/607003693.db2.gz XWADRKLUKPBCQW-UHFFFAOYSA-N 0 1 381.506 0.817 20 0 GCADMN CCCN(C)S(=O)(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821087771 607003875 /nfs/dbraw/zinc/00/38/75/607003875.db2.gz FXQAGWFAPJTGHU-UHFFFAOYSA-N 0 1 393.517 0.961 20 0 GCADMN CCNc1ccc(-c2nn[nH]n2)cc1NS(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000821308517 607032615 /nfs/dbraw/zinc/03/26/15/607032615.db2.gz CINRXUICWVXIAV-UHFFFAOYSA-N 0 1 390.429 0.537 20 0 GCADMN O=C1NCCC[C@@H]1N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823548285 607102704 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O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000823127159 607210405 /nfs/dbraw/zinc/21/04/05/607210405.db2.gz VDCIEXYLERICTB-UHFFFAOYSA-N 0 1 381.444 0.487 20 0 GCADMN O=C(CC1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1)NC1CCCC1 ZINC000822945338 607210554 /nfs/dbraw/zinc/21/05/54/607210554.db2.gz BKFLDDYOQBVFNI-UHFFFAOYSA-N 0 1 387.448 0.146 20 0 GCADMN C[C@H](Cc1cccc(Br)c1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820301693 607210939 /nfs/dbraw/zinc/21/09/39/607210939.db2.gz ZLQSIAGYNVJXND-SECBINFHSA-N 0 1 391.233 0.968 20 0 GCADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000820335136 607211159 /nfs/dbraw/zinc/21/11/59/607211159.db2.gz UAVZNFQBGQTEHF-JTQLQIEISA-N 0 1 383.372 0.292 20 0 GCADMN Cc1cc(Oc2ncccn2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822211800 607211425 /nfs/dbraw/zinc/21/14/25/607211425.db2.gz OXOOXUCBQBRPIC-UHFFFAOYSA-N 0 1 378.356 0.988 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000823126047 607211649 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O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000823125688 607213711 /nfs/dbraw/zinc/21/37/11/607213711.db2.gz AXAKDPGWDQMXOM-LBPRGKRZSA-N 0 1 376.327 0.337 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000823126896 607213746 /nfs/dbraw/zinc/21/37/46/607213746.db2.gz NASADNZOXYRDLY-OAHLLOKOSA-N 0 1 381.444 0.802 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000823126895 607213759 /nfs/dbraw/zinc/21/37/59/607213759.db2.gz NASADNZOXYRDLY-HNNXBMFYSA-N 0 1 381.444 0.802 20 0 GCADMN C[NH+](C)CCCOc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821584931 607214134 /nfs/dbraw/zinc/21/41/34/607214134.db2.gz YLXOMWWWVMGUHZ-UHFFFAOYSA-N 0 1 385.432 0.105 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCOc1cccc2cccnc21 ZINC000823131937 607214724 /nfs/dbraw/zinc/21/47/24/607214724.db2.gz RKMPIWDCWZLYAJ-UHFFFAOYSA-N 0 1 379.384 0.592 20 0 GCADMN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821321177 607214949 /nfs/dbraw/zinc/21/49/49/607214949.db2.gz VLYOEDHLFNXDLH-CYBMUJFWSA-N 0 1 384.400 0.091 20 0 GCADMN Cc1nc(COc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)no1 ZINC000822444247 607215385 /nfs/dbraw/zinc/21/53/85/607215385.db2.gz IQIVXNFPXYBUMM-UHFFFAOYSA-N 0 1 382.344 0.367 20 0 GCADMN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820057125 607215751 /nfs/dbraw/zinc/21/57/51/607215751.db2.gz WYGOAFXFPPPXLM-NSHDSACASA-N 0 1 393.452 0.514 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000823126966 607215893 /nfs/dbraw/zinc/21/58/93/607215893.db2.gz PAALIAWCXATUFB-SNVBAGLBSA-N 0 1 375.343 0.132 20 0 GCADMN CC(C)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OCc1ccccc1 ZINC000820108569 607216647 /nfs/dbraw/zinc/21/66/47/607216647.db2.gz NIZXGAHMFDQJTL-AWEZNQCLSA-N 0 1 398.427 0.733 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000821572147 607217614 /nfs/dbraw/zinc/21/76/14/607217614.db2.gz SVDGOMILFGKHOP-ZDUSSCGKSA-N 0 1 381.400 0.112 20 0 GCADMN CCOc1cc(CCCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1OC ZINC000821395564 607218040 /nfs/dbraw/zinc/21/80/40/607218040.db2.gz ZGXJSHNFLUGQSL-UHFFFAOYSA-N 0 1 386.416 0.615 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820761604 607218877 /nfs/dbraw/zinc/21/88/77/607218877.db2.gz YIVWMGLPSPAPMJ-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820761604 607218878 /nfs/dbraw/zinc/21/88/78/607218878.db2.gz YIVWMGLPSPAPMJ-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820761604 607218879 /nfs/dbraw/zinc/21/88/79/607218879.db2.gz YIVWMGLPSPAPMJ-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000823136434 607219922 /nfs/dbraw/zinc/21/99/22/607219922.db2.gz ZWXKFAWRACGHAM-UHFFFAOYSA-N 0 1 390.367 0.744 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000823123016 607220254 /nfs/dbraw/zinc/22/02/54/607220254.db2.gz KWSZESUTPHJWRN-QMMMGPOBSA-N 0 1 396.337 0.606 20 0 GCADMN CN(Cc1nccn1Cc1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821617993 607220359 /nfs/dbraw/zinc/22/03/59/607220359.db2.gz LALQIDCQQWPBRH-UHFFFAOYSA-N 0 1 378.400 0.362 20 0 GCADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cnc(-c4nnn[n-]4)n3)cc2)C1 ZINC000820722030 607220636 /nfs/dbraw/zinc/22/06/36/607220636.db2.gz CRORHBZVIWNNIY-CYBMUJFWSA-N 0 1 397.443 0.818 20 0 GCADMN C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)C1 ZINC000820722030 607220637 /nfs/dbraw/zinc/22/06/37/607220637.db2.gz CRORHBZVIWNNIY-CYBMUJFWSA-N 0 1 397.443 0.818 20 0 GCADMN C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)C1 ZINC000820722030 607220638 /nfs/dbraw/zinc/22/06/38/607220638.db2.gz CRORHBZVIWNNIY-CYBMUJFWSA-N 0 1 397.443 0.818 20 0 GCADMN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000820098016 607220679 /nfs/dbraw/zinc/22/06/79/607220679.db2.gz VSUJUQQGZKEYHF-SNVBAGLBSA-N 0 1 390.408 0.233 20 0 GCADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820721843 607220705 /nfs/dbraw/zinc/22/07/05/607220705.db2.gz CCVMYHXKBLHBOQ-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820721843 607220706 /nfs/dbraw/zinc/22/07/06/607220706.db2.gz CCVMYHXKBLHBOQ-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820721843 607220707 /nfs/dbraw/zinc/22/07/07/607220707.db2.gz CCVMYHXKBLHBOQ-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN CN(C)c1cc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c2ccccc2n1 ZINC000821588335 607220780 /nfs/dbraw/zinc/22/07/80/607220780.db2.gz NBHKYBHOGQOJID-UHFFFAOYSA-N 0 1 378.400 0.389 20 0 GCADMN CCOCCOCc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1C ZINC000821384290 607220830 /nfs/dbraw/zinc/22/08/30/607220830.db2.gz STOYFEVWJBJWNF-UHFFFAOYSA-N 0 1 386.416 0.958 20 0 GCADMN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821653940 607220993 /nfs/dbraw/zinc/22/09/93/607220993.db2.gz PESOSPUEPSPTEW-QWHCGFSZSA-N 0 1 388.432 0.429 20 0 GCADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820758926 607221395 /nfs/dbraw/zinc/22/13/95/607221395.db2.gz FYUDPWAPWRWJBU-ZFWWWQNUSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820758926 607221396 /nfs/dbraw/zinc/22/13/96/607221396.db2.gz FYUDPWAPWRWJBU-ZFWWWQNUSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820758926 607221397 /nfs/dbraw/zinc/22/13/97/607221397.db2.gz FYUDPWAPWRWJBU-ZFWWWQNUSA-N 0 1 381.444 0.485 20 0 GCADMN COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC000821663786 607221506 /nfs/dbraw/zinc/22/15/06/607221506.db2.gz OBLRZVOSAGURRG-NSHDSACASA-N 0 1 390.791 0.532 20 0 GCADMN CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821189951 607222367 /nfs/dbraw/zinc/22/23/67/607222367.db2.gz WQTOQUVWGQJKTM-UHFFFAOYSA-N 0 1 389.386 0.581 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1nccn1CCc1ccccc1 ZINC000823131240 607222464 /nfs/dbraw/zinc/22/24/64/607222464.db2.gz DGMRMJLMBJUEKF-UHFFFAOYSA-N 0 1 378.400 0.214 20 0 GCADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(O[C@H]2CCOC2)c1 ZINC000822237143 607223185 /nfs/dbraw/zinc/22/31/85/607223185.db2.gz HIQOQTFOCVFNOM-ZDUSSCGKSA-N 0 1 384.400 0.251 20 0 GCADMN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000819928845 607223361 /nfs/dbraw/zinc/22/33/61/607223361.db2.gz YRZWGKSVMRNWNU-NSHDSACASA-N 0 1 376.421 0.429 20 0 GCADMN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000819928843 607223443 /nfs/dbraw/zinc/22/34/43/607223443.db2.gz YRZWGKSVMRNWNU-LLVKDONJSA-N 0 1 376.421 0.429 20 0 GCADMN Cc1nn(C)c(C)c1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC000822487071 607239193 /nfs/dbraw/zinc/23/91/93/607239193.db2.gz ZVXLLDCOQRIMIQ-SNVBAGLBSA-N 0 1 384.326 0.228 20 0 GCADMN C[C@@H](O)C[C@H]1CCCN1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824698800 607784659 /nfs/dbraw/zinc/78/46/59/607784659.db2.gz OJQDEXFCSRWPKJ-CZUORRHYSA-N 0 1 399.455 0.824 20 0 GCADMN O=C1[C@@H](N2CCC(Cn3ccnn3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477149 607801790 /nfs/dbraw/zinc/80/17/90/607801790.db2.gz WPDXZUYWWYXRQR-KRWDZBQOSA-N 0 1 393.455 0.976 20 0 GCADMN C[C@@H]1C[C@@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C[N@H+]1Cc1ccccc1 ZINC000824874687 607802857 /nfs/dbraw/zinc/80/28/57/607802857.db2.gz FWFGDRZHVMCBGN-GDBMZVCRSA-N 0 1 395.471 0.875 20 0 GCADMN C[C@@H]1C[C@@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[N@@H+]1Cc1ccccc1 ZINC000824874687 607802858 /nfs/dbraw/zinc/80/28/58/607802858.db2.gz FWFGDRZHVMCBGN-GDBMZVCRSA-N 0 1 395.471 0.875 20 0 GCADMN C[C@@H]1C[C@@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[N@H+]1Cc1ccccc1 ZINC000824874687 607802859 /nfs/dbraw/zinc/80/28/59/607802859.db2.gz FWFGDRZHVMCBGN-GDBMZVCRSA-N 0 1 395.471 0.875 20 0 GCADMN O=C(NC1(CO)CC1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826427043 607832118 /nfs/dbraw/zinc/83/21/18/607832118.db2.gz DHBGLDYBQMLBKB-UHFFFAOYSA-N 0 1 399.411 0.972 20 0 GCADMN CC(=O)N1CC[C@H](CN(C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823974811 607857707 /nfs/dbraw/zinc/85/77/07/607857707.db2.gz SNEUXLDTZXNDAJ-PBHICJAKSA-N 0 1 383.456 0.772 20 0 GCADMN CCOc1ccc(Cl)cc1CCNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000825638075 607915392 /nfs/dbraw/zinc/91/53/92/607915392.db2.gz DKONHTWZBWYMKC-UHFFFAOYSA-N 0 1 376.808 0.869 20 0 GCADMN CNS(=O)(=O)C[C@@H]1CCCN1Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000826090528 607925701 /nfs/dbraw/zinc/92/57/01/607925701.db2.gz IITRERSBIFSIDP-LBPRGKRZSA-N 0 1 394.457 0.167 20 0 GCADMN CN(CC(=O)N1CCc2ccc(-c3nn[nH]n3)cc21)c1ncnc2[nH]cnc21 ZINC000825892607 607954943 /nfs/dbraw/zinc/95/49/43/607954943.db2.gz PWZKMZGIUOLRRV-UHFFFAOYSA-N 0 1 376.384 0.559 20 0 GCADMN CCCN(CC(=O)N(C)C)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825308279 607961673 /nfs/dbraw/zinc/96/16/73/607961673.db2.gz ZLJZUCGUTOPIDG-UHFFFAOYSA-N 0 1 379.446 0.630 20 0 GCADMN Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n(C)c1=O ZINC000826029379 607968358 /nfs/dbraw/zinc/96/83/58/607968358.db2.gz RQRFICPNDRFIDH-JSGCOSHPSA-N 0 1 382.428 0.121 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n(C)c1=O ZINC000826029379 607968359 /nfs/dbraw/zinc/96/83/59/607968359.db2.gz RQRFICPNDRFIDH-JSGCOSHPSA-N 0 1 382.428 0.121 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n(C)c1=O ZINC000826029379 607968360 /nfs/dbraw/zinc/96/83/60/607968360.db2.gz RQRFICPNDRFIDH-JSGCOSHPSA-N 0 1 382.428 0.121 20 0 GCADMN O=S(=O)(NC[C@@]1(CCO)CCOC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490032 608001038 /nfs/dbraw/zinc/00/10/38/608001038.db2.gz IATGFJVXLGCYPH-CQSZACIVSA-N 0 1 389.384 0.212 20 0 GCADMN O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000826485864 608002742 /nfs/dbraw/zinc/00/27/42/608002742.db2.gz GGJKXNPVMUNBRV-KBPBESRZSA-N 0 1 396.448 0.288 20 0 GCADMN COC(=O)C1=C(C)O[C@H](CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC000826129730 608004015 /nfs/dbraw/zinc/00/40/15/608004015.db2.gz ZDLYDSHOPVSHLE-ZDUSSCGKSA-N 0 1 385.428 0.620 20 0 GCADMN CC(C)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCC[NH+](C)C ZINC000824274508 608005937 /nfs/dbraw/zinc/00/59/37/608005937.db2.gz JANNFWARWVSOIZ-NSHDSACASA-N 0 1 379.490 0.751 20 0 GCADMN COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)c(F)c1 ZINC000826103660 608008551 /nfs/dbraw/zinc/00/85/51/608008551.db2.gz JREOJJMIJIIOKX-LLVKDONJSA-N 0 1 394.754 0.281 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-c3ccoc3)[nH]n2)c1-c1nn[n-]n1 ZINC000826077695 608019705 /nfs/dbraw/zinc/01/97/05/608019705.db2.gz QYQNRUBQMTUQCZ-UHFFFAOYSA-N 0 1 382.388 0.977 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826077567 608019816 /nfs/dbraw/zinc/01/98/16/608019816.db2.gz MUEBPUXNSDAMTE-UHFFFAOYSA-N 0 1 379.425 0.205 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826077567 608019817 /nfs/dbraw/zinc/01/98/17/608019817.db2.gz MUEBPUXNSDAMTE-UHFFFAOYSA-N 0 1 379.425 0.205 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(COC)nc2C)c1-c1nnn[n-]1 ZINC000826083572 608020019 /nfs/dbraw/zinc/02/00/19/608020019.db2.gz NFKDHAYOPIZYOB-UHFFFAOYSA-N 0 1 391.461 0.905 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2sc(COC)nc2C)c1-c1nn[n-]n1 ZINC000826083572 608020020 /nfs/dbraw/zinc/02/00/20/608020020.db2.gz NFKDHAYOPIZYOB-UHFFFAOYSA-N 0 1 391.461 0.905 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)C2CCCC2)c1-c1nnn[n-]1 ZINC000826073137 608020272 /nfs/dbraw/zinc/02/02/72/608020272.db2.gz GNOHSKOKFNFMIS-SNVBAGLBSA-N 0 1 389.464 0.375 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC000826073137 608020273 /nfs/dbraw/zinc/02/02/73/608020273.db2.gz GNOHSKOKFNFMIS-SNVBAGLBSA-N 0 1 389.464 0.375 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[C@H](C(=O)OC)C2)c1-c1nnn[n-]1 ZINC000826077765 608020688 /nfs/dbraw/zinc/02/06/88/608020688.db2.gz UUIAOLXRTADSTC-QWRGUYRKSA-N 0 1 390.448 0.660 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[C@H](C(=O)OC)C2)c1-c1nn[n-]n1 ZINC000826077765 608020689 /nfs/dbraw/zinc/02/06/89/608020689.db2.gz UUIAOLXRTADSTC-QWRGUYRKSA-N 0 1 390.448 0.660 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2cccnc2)c1-c1nnn[n-]1 ZINC000826077574 608020694 /nfs/dbraw/zinc/02/06/94/608020694.db2.gz MYSFJCQCEHJBKD-UHFFFAOYSA-N 0 1 385.432 0.935 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCOc2cccnc2)c1-c1nn[n-]n1 ZINC000826077574 608020695 /nfs/dbraw/zinc/02/06/95/608020695.db2.gz MYSFJCQCEHJBKD-UHFFFAOYSA-N 0 1 385.432 0.935 20 0 GCADMN CC[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1)N1CCCC1=O ZINC000825039178 608021055 /nfs/dbraw/zinc/02/10/55/608021055.db2.gz NSUJUUZREODSMS-LLVKDONJSA-N 0 1 375.437 0.081 20 0 GCADMN CC[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1)N1CCCC1=O ZINC000825039178 608021056 /nfs/dbraw/zinc/02/10/56/608021056.db2.gz NSUJUUZREODSMS-LLVKDONJSA-N 0 1 375.437 0.081 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2sc(=S)[nH]c2C)c1-c1nnn[n-]1 ZINC000826077475 608021112 /nfs/dbraw/zinc/02/11/12/608021112.db2.gz JIMHFNWVEFQJTG-UHFFFAOYSA-N 0 1 393.502 0.977 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2sc(=S)[nH]c2C)c1-c1nn[n-]n1 ZINC000826077475 608021113 /nfs/dbraw/zinc/02/11/13/608021113.db2.gz JIMHFNWVEFQJTG-UHFFFAOYSA-N 0 1 393.502 0.977 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccnn3)cc2)c1-c1nnn[n-]1 ZINC000826083781 608021434 /nfs/dbraw/zinc/02/14/34/608021434.db2.gz QMCGHBVCMCTUPP-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccnn3)cc2)c1-c1nn[n-]n1 ZINC000826083781 608021435 /nfs/dbraw/zinc/02/14/35/608021435.db2.gz QMCGHBVCMCTUPP-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C(C)C)N2CCCC2=O)c1-c1nnn[n-]1 ZINC000826073285 608021702 /nfs/dbraw/zinc/02/17/02/608021702.db2.gz MVQVAAFOJJEJQN-AWEZNQCLSA-N 0 1 389.464 0.327 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C(C)C)N2CCCC2=O)c1-c1nn[n-]n1 ZINC000826073285 608021703 /nfs/dbraw/zinc/02/17/03/608021703.db2.gz MVQVAAFOJJEJQN-AWEZNQCLSA-N 0 1 389.464 0.327 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2OCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077085 608021777 /nfs/dbraw/zinc/02/17/77/608021777.db2.gz AAAVTJSPNVWVDJ-OAHLLOKOSA-N 0 1 382.428 0.994 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2OCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077085 608021778 /nfs/dbraw/zinc/02/17/78/608021778.db2.gz AAAVTJSPNVWVDJ-OAHLLOKOSA-N 0 1 382.428 0.994 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCC(=O)NC(C)C)c1-c1nnn[n-]1 ZINC000826077499 608022097 /nfs/dbraw/zinc/02/20/97/608022097.db2.gz KFENHGCQUVCTJM-UHFFFAOYSA-N 0 1 377.453 0.375 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCC(=O)NC(C)C)c1-c1nn[n-]n1 ZINC000826077499 608022098 /nfs/dbraw/zinc/02/20/98/608022098.db2.gz KFENHGCQUVCTJM-UHFFFAOYSA-N 0 1 377.453 0.375 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(OC)c2)c1-c1nnn[n-]1 ZINC000826077810 608022261 /nfs/dbraw/zinc/02/22/61/608022261.db2.gz WRMHNJSABIIRCR-UHFFFAOYSA-N 0 1 386.416 0.768 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(OC)c2)c1-c1nn[n-]n1 ZINC000826077810 608022262 /nfs/dbraw/zinc/02/22/62/608022262.db2.gz WRMHNJSABIIRCR-UHFFFAOYSA-N 0 1 386.416 0.768 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2OCCO3)c1-c1nnn[n-]1 ZINC000826084226 608022491 /nfs/dbraw/zinc/02/24/91/608022491.db2.gz VQVHOQNNKRXICX-UHFFFAOYSA-N 0 1 384.400 0.765 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2OCCO3)c1-c1nn[n-]n1 ZINC000826084226 608022492 /nfs/dbraw/zinc/02/24/92/608022492.db2.gz VQVHOQNNKRXICX-UHFFFAOYSA-N 0 1 384.400 0.765 20 0 GCADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@@](C)(O)C(F)(F)F ZINC000826232851 608042189 /nfs/dbraw/zinc/04/21/89/608042189.db2.gz KTYTVDZEIKAGRZ-CQSZACIVSA-N 0 1 388.350 0.946 20 0 GCADMN C[C@@H]1CN(CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CCN1C ZINC000824984531 608042253 /nfs/dbraw/zinc/04/22/53/608042253.db2.gz LBJQIKKZGPBWER-CYBMUJFWSA-N 0 1 381.444 0.627 20 0 GCADMN Cc1nnc(SCC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC000826322574 608081282 /nfs/dbraw/zinc/08/12/82/608081282.db2.gz SHPKGVCFVORBIT-ZDUSSCGKSA-N 0 1 386.441 0.985 20 0 GCADMN COc1ccc(-c2nnc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)s2)cc1 ZINC000826181970 608101867 /nfs/dbraw/zinc/10/18/67/608101867.db2.gz VEEWAOBCLDQCQD-UHFFFAOYSA-N 0 1 384.385 0.624 20 0 GCADMN CCc1nc([C@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)n[nH]1 ZINC000825740360 608108490 /nfs/dbraw/zinc/10/84/90/608108490.db2.gz STZAFZYMHUSGFX-VIFPVBQESA-N 0 1 393.415 0.806 20 0 GCADMN O=S(=O)(NCc1noc(C2CC2)n1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826492540 608112121 /nfs/dbraw/zinc/11/21/21/608112121.db2.gz PUFYAHSXRHRXKD-UHFFFAOYSA-N 0 1 383.340 0.884 20 0 GCADMN O=S(=O)(CCC1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826485046 608149408 /nfs/dbraw/zinc/14/94/08/608149408.db2.gz ZXWNQRGBQWHTLO-UHFFFAOYSA-N 0 1 393.473 0.984 20 0 GCADMN CN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CC(C)(C)S(C)(=O)=O ZINC000825914763 608168899 /nfs/dbraw/zinc/16/88/99/608168899.db2.gz NBTYRSSWNQTYDO-UHFFFAOYSA-N 0 1 380.474 0.950 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C4CC4)C3)CC2)o1 ZINC000826322803 608171492 /nfs/dbraw/zinc/17/14/92/608171492.db2.gz BYGOQVAXNHVOKO-CQSZACIVSA-N 0 1 386.460 0.544 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C4CC4)C3)CC2)o1 ZINC000826322803 608171497 /nfs/dbraw/zinc/17/14/97/608171497.db2.gz BYGOQVAXNHVOKO-CQSZACIVSA-N 0 1 386.460 0.544 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C4CC4)C3)CC2)o1 ZINC000826322803 608171499 /nfs/dbraw/zinc/17/14/99/608171499.db2.gz BYGOQVAXNHVOKO-CQSZACIVSA-N 0 1 386.460 0.544 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000826425844 608180543 /nfs/dbraw/zinc/18/05/43/608180543.db2.gz WKXXDFHUMVQJNQ-SECBINFHSA-N 0 1 391.798 0.646 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H](O)c1c(F)cccc1Cl ZINC000824492447 608202296 /nfs/dbraw/zinc/20/22/96/608202296.db2.gz ZAGZPWYQPHFBCE-KRTXAFLBSA-N 0 1 380.771 0.489 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@@H]2CC(N)=O)cc1-c1nn[nH]n1 ZINC000826229492 608204681 /nfs/dbraw/zinc/20/46/81/608204681.db2.gz GRBDZYGGECGXSB-MRVPVSSYSA-N 0 1 377.430 0.559 20 0 GCADMN CNC(=O)[C@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826060744 608240113 /nfs/dbraw/zinc/24/01/13/608240113.db2.gz SCWXIOCEXTZRIW-GZMMTYOYSA-N 0 1 386.384 0.338 20 0 GCADMN NC(=O)[C@H](OC(=O)c1ccc2c(C=O)[nH]nc2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389133 608254148 /nfs/dbraw/zinc/25/41/48/608254148.db2.gz QRAUVOKWOAOABP-OAHLLOKOSA-N 0 1 391.347 0.939 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000824882372 608354556 /nfs/dbraw/zinc/35/45/56/608354556.db2.gz AQDFDNLMEYVKRT-QWRGUYRKSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000824882372 608354557 /nfs/dbraw/zinc/35/45/57/608354557.db2.gz AQDFDNLMEYVKRT-QWRGUYRKSA-N 0 1 389.464 0.356 20 0 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CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)CC[N@@H+]1C ZINC001571265442 945511086 /nfs/dbraw/zinc/51/10/86/945511086.db2.gz GUAXIIDRYOQAAJ-KCQAQPDRSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571265442 945511092 /nfs/dbraw/zinc/51/10/92/945511092.db2.gz GUAXIIDRYOQAAJ-KCQAQPDRSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)CC[N@@H+]1C ZINC001571265444 945511450 /nfs/dbraw/zinc/51/14/50/945511450.db2.gz GUAXIIDRYOQAAJ-VNHYZAJKSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)CC[N@H+]1C ZINC001571265444 945511457 /nfs/dbraw/zinc/51/14/57/945511457.db2.gz GUAXIIDRYOQAAJ-VNHYZAJKSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)CC[N@@H+]1C ZINC001571265444 945511459 /nfs/dbraw/zinc/51/14/59/945511459.db2.gz GUAXIIDRYOQAAJ-VNHYZAJKSA-N 0 1 385.476 0.424 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571265444 945511466 /nfs/dbraw/zinc/51/14/66/945511466.db2.gz GUAXIIDRYOQAAJ-VNHYZAJKSA-N 0 1 385.476 0.424 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571265533 945513270 /nfs/dbraw/zinc/51/32/70/945513270.db2.gz HWLFNSBCISLBOY-CQSZACIVSA-N 0 1 385.476 0.427 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571265573 945514473 /nfs/dbraw/zinc/51/44/73/945514473.db2.gz IQCSXCDLXAIBFX-MGPQQGTHSA-N 0 1 385.476 0.695 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571265573 945514483 /nfs/dbraw/zinc/51/44/83/945514483.db2.gz IQCSXCDLXAIBFX-MGPQQGTHSA-N 0 1 385.476 0.695 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571265573 945514494 /nfs/dbraw/zinc/51/44/94/945514494.db2.gz IQCSXCDLXAIBFX-MGPQQGTHSA-N 0 1 385.476 0.695 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571265573 945514502 /nfs/dbraw/zinc/51/45/02/945514502.db2.gz IQCSXCDLXAIBFX-MGPQQGTHSA-N 0 1 385.476 0.695 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)CC1(C)C ZINC001571265679 945515313 /nfs/dbraw/zinc/51/53/13/945515313.db2.gz OMILCFCTMUQUSF-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571265679 945515319 /nfs/dbraw/zinc/51/53/19/945515319.db2.gz OMILCFCTMUQUSF-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1(C)C ZINC001571265679 945515324 /nfs/dbraw/zinc/51/53/24/945515324.db2.gz OMILCFCTMUQUSF-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1CC[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571265639 945515606 /nfs/dbraw/zinc/51/56/06/945515606.db2.gz NMSPJCUJHRMOQQ-CQSZACIVSA-N 0 1 385.476 0.793 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1CC[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265639 945515608 /nfs/dbraw/zinc/51/56/08/945515608.db2.gz NMSPJCUJHRMOQQ-CQSZACIVSA-N 0 1 385.476 0.793 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001571265707 945519288 /nfs/dbraw/zinc/51/92/88/945519288.db2.gz OYUNOBUBDUVGIL-ZFWWWQNUSA-N 0 1 385.476 0.487 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001571265707 945519293 /nfs/dbraw/zinc/51/92/93/945519293.db2.gz OYUNOBUBDUVGIL-ZFWWWQNUSA-N 0 1 385.476 0.487 20 0 GCADMN CN(c1nccnc1-c1nnn[n-]1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001571265742 945519449 /nfs/dbraw/zinc/51/94/49/945519449.db2.gz JMGYZDNCQNSSER-CYBMUJFWSA-N 0 1 385.476 0.568 20 0 GCADMN CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001571265742 945519457 /nfs/dbraw/zinc/51/94/57/945519457.db2.gz JMGYZDNCQNSSER-CYBMUJFWSA-N 0 1 385.476 0.568 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[nH]n3)n2)CC[N@H+]1C ZINC001571265836 945521487 /nfs/dbraw/zinc/52/14/87/945521487.db2.gz QJJWQFDGOLEWQK-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC[N@@H+]1C ZINC001571265836 945521494 /nfs/dbraw/zinc/52/14/94/945521494.db2.gz QJJWQFDGOLEWQK-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001571265836 945521506 /nfs/dbraw/zinc/52/15/06/945521506.db2.gz QJJWQFDGOLEWQK-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001571265836 945521515 /nfs/dbraw/zinc/52/15/15/945521515.db2.gz QJJWQFDGOLEWQK-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001571265836 945521525 /nfs/dbraw/zinc/52/15/25/945521525.db2.gz QJJWQFDGOLEWQK-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265905 945523500 /nfs/dbraw/zinc/52/35/00/945523500.db2.gz KQVNLVWKTRAQRO-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265905 945523510 /nfs/dbraw/zinc/52/35/10/945523510.db2.gz KQVNLVWKTRAQRO-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571265934 945526232 /nfs/dbraw/zinc/52/62/32/945526232.db2.gz LFAUPZCMKUHCDJ-JXQTWKCFSA-N 0 1 385.476 0.836 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1 ZINC001571265934 945526242 /nfs/dbraw/zinc/52/62/42/945526242.db2.gz LFAUPZCMKUHCDJ-JXQTWKCFSA-N 0 1 385.476 0.836 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265934 945526251 /nfs/dbraw/zinc/52/62/51/945526251.db2.gz LFAUPZCMKUHCDJ-JXQTWKCFSA-N 0 1 385.476 0.836 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265934 945526256 /nfs/dbraw/zinc/52/62/56/945526256.db2.gz LFAUPZCMKUHCDJ-JXQTWKCFSA-N 0 1 385.476 0.836 20 0 GCADMN C[C@@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001571265944 945527007 /nfs/dbraw/zinc/52/70/07/945527007.db2.gz LHVRATBNFYFMKD-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001571265944 945527014 /nfs/dbraw/zinc/52/70/14/945527014.db2.gz LHVRATBNFYFMKD-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN C[NH+]1CCC(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571265984 945527082 /nfs/dbraw/zinc/52/70/82/945527082.db2.gz MGSXWDTXXJUMGH-CYBMUJFWSA-N 0 1 385.476 0.649 20 0 GCADMN C[NH+]1CCC(C(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571265984 945527089 /nfs/dbraw/zinc/52/70/89/945527089.db2.gz MGSXWDTXXJUMGH-CYBMUJFWSA-N 0 1 385.476 0.649 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001571266000 945529523 /nfs/dbraw/zinc/52/95/23/945529523.db2.gz SWDYVGPQNXZDNO-MGPQQGTHSA-N 0 1 385.476 0.756 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001571266000 945529530 /nfs/dbraw/zinc/52/95/30/945529530.db2.gz SWDYVGPQNXZDNO-MGPQQGTHSA-N 0 1 385.476 0.756 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001571266000 945529542 /nfs/dbraw/zinc/52/95/42/945529542.db2.gz SWDYVGPQNXZDNO-MGPQQGTHSA-N 0 1 385.476 0.756 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001571266000 945529548 /nfs/dbraw/zinc/52/95/48/945529548.db2.gz SWDYVGPQNXZDNO-MGPQQGTHSA-N 0 1 385.476 0.756 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266151 945530386 /nfs/dbraw/zinc/53/03/86/945530386.db2.gz MXQZLRWLIAMVJL-QWHCGFSZSA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266151 945530395 /nfs/dbraw/zinc/53/03/95/945530395.db2.gz MXQZLRWLIAMVJL-QWHCGFSZSA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266151 945530397 /nfs/dbraw/zinc/53/03/97/945530397.db2.gz MXQZLRWLIAMVJL-QWHCGFSZSA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266151 945530405 /nfs/dbraw/zinc/53/04/05/945530405.db2.gz MXQZLRWLIAMVJL-QWHCGFSZSA-N 0 1 385.476 0.256 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001571266239 945533860 /nfs/dbraw/zinc/53/38/60/945533860.db2.gz YFPKNIDQXWZRPY-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571266239 945533870 /nfs/dbraw/zinc/53/38/70/945533870.db2.gz YFPKNIDQXWZRPY-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571266239 945533882 /nfs/dbraw/zinc/53/38/82/945533882.db2.gz YFPKNIDQXWZRPY-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN C[NH+]1CCC(C(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)CC1 ZINC001571266208 945533980 /nfs/dbraw/zinc/53/39/80/945533980.db2.gz NPTZIDLCRONKGL-ZDUSSCGKSA-N 0 1 385.476 0.069 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266288 945537194 /nfs/dbraw/zinc/53/71/94/945537194.db2.gz YXQCOZGMSZVXLP-KGLIPLIRSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266288 945537196 /nfs/dbraw/zinc/53/71/96/945537196.db2.gz YXQCOZGMSZVXLP-KGLIPLIRSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266288 945537200 /nfs/dbraw/zinc/53/72/00/945537200.db2.gz YXQCOZGMSZVXLP-KGLIPLIRSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266288 945537203 /nfs/dbraw/zinc/53/72/03/945537203.db2.gz YXQCOZGMSZVXLP-KGLIPLIRSA-N 0 1 385.476 0.567 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571266265 945537231 /nfs/dbraw/zinc/53/72/31/945537231.db2.gz YOTFODKAYYQSSO-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571266265 945537237 /nfs/dbraw/zinc/53/72/37/945537237.db2.gz YOTFODKAYYQSSO-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC[N@@H+]1C ZINC001571266348 945539074 /nfs/dbraw/zinc/53/90/74/945539074.db2.gz ZYDPGKSRTNDJSO-MGPQQGTHSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nnn[n-]3)nn2)CC[N@H+]1C ZINC001571266348 945539091 /nfs/dbraw/zinc/53/90/91/945539091.db2.gz ZYDPGKSRTNDJSO-MGPQQGTHSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC[N@@H+]1C ZINC001571266348 945539102 /nfs/dbraw/zinc/53/91/02/945539102.db2.gz ZYDPGKSRTNDJSO-MGPQQGTHSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC[N@H+]1C ZINC001571266348 945539108 /nfs/dbraw/zinc/53/91/08/945539108.db2.gz ZYDPGKSRTNDJSO-MGPQQGTHSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571266354 945539699 /nfs/dbraw/zinc/53/96/99/945539699.db2.gz PCXDOIAOLKYHLF-AWEZNQCLSA-N 0 1 385.476 0.568 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571266354 945539703 /nfs/dbraw/zinc/53/97/03/945539703.db2.gz PCXDOIAOLKYHLF-AWEZNQCLSA-N 0 1 385.476 0.568 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571266354 945539709 /nfs/dbraw/zinc/53/97/09/945539709.db2.gz PCXDOIAOLKYHLF-AWEZNQCLSA-N 0 1 385.476 0.568 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCC1 ZINC001571266457 945541890 /nfs/dbraw/zinc/54/18/90/945541890.db2.gz QXFUMXSPWBRCIR-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001571266457 945541895 /nfs/dbraw/zinc/54/18/95/945541895.db2.gz QXFUMXSPWBRCIR-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571266440 945542155 /nfs/dbraw/zinc/54/21/55/945542155.db2.gz QSAHAILLUFKYBO-KGLIPLIRSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266440 945542160 /nfs/dbraw/zinc/54/21/60/945542160.db2.gz QSAHAILLUFKYBO-KGLIPLIRSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266440 945542166 /nfs/dbraw/zinc/54/21/66/945542166.db2.gz QSAHAILLUFKYBO-KGLIPLIRSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571266429 945542236 /nfs/dbraw/zinc/54/22/36/945542236.db2.gz QOVXYWHZWZMQEG-KBPBESRZSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571266429 945542243 /nfs/dbraw/zinc/54/22/43/945542243.db2.gz QOVXYWHZWZMQEG-KBPBESRZSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571266429 945542248 /nfs/dbraw/zinc/54/22/48/945542248.db2.gz QOVXYWHZWZMQEG-KBPBESRZSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571266429 945542253 /nfs/dbraw/zinc/54/22/53/945542253.db2.gz QOVXYWHZWZMQEG-KBPBESRZSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571266527 945545355 /nfs/dbraw/zinc/54/53/55/945545355.db2.gz SXTUGVDHSITLKH-CQSZACIVSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571266527 945545365 /nfs/dbraw/zinc/54/53/65/945545365.db2.gz SXTUGVDHSITLKH-CQSZACIVSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266599 945546631 /nfs/dbraw/zinc/54/66/31/945546631.db2.gz VETARTOKAKFEPU-HIFRSBDPSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)C[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266599 945546634 /nfs/dbraw/zinc/54/66/34/945546634.db2.gz VETARTOKAKFEPU-HIFRSBDPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001571266587 945547726 /nfs/dbraw/zinc/54/77/26/945547726.db2.gz UTWBCXWKGYCCQZ-MELADBBJSA-N 0 1 385.476 0.402 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571266596 945547889 /nfs/dbraw/zinc/54/78/89/945547889.db2.gz UZAQCPZLAINFEY-HNNXBMFYSA-N 0 1 385.476 0.570 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571266596 945547893 /nfs/dbraw/zinc/54/78/93/945547893.db2.gz UZAQCPZLAINFEY-HNNXBMFYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571266693 945550047 /nfs/dbraw/zinc/55/00/47/945550047.db2.gz WXLGUVYXFHPHLY-HZSPNIEDSA-N 0 1 385.476 0.979 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571266693 945550051 /nfs/dbraw/zinc/55/00/51/945550051.db2.gz WXLGUVYXFHPHLY-HZSPNIEDSA-N 0 1 385.476 0.979 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571266693 945550058 /nfs/dbraw/zinc/55/00/58/945550058.db2.gz WXLGUVYXFHPHLY-HZSPNIEDSA-N 0 1 385.476 0.979 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571266693 945550068 /nfs/dbraw/zinc/55/00/68/945550068.db2.gz WXLGUVYXFHPHLY-HZSPNIEDSA-N 0 1 385.476 0.979 20 0 GCADMN C[N@H+](CC(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001571266664 945550312 /nfs/dbraw/zinc/55/03/12/945550312.db2.gz WELMAOORCSIFHP-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@@H+](CC(=O)N1CCC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)C1CCC1 ZINC001571266664 945550319 /nfs/dbraw/zinc/55/03/19/945550319.db2.gz WELMAOORCSIFHP-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN Cc1cc(N[C@@]2(CO)CCCN(C(=O)CC3CCC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266640 945550512 /nfs/dbraw/zinc/55/05/12/945550512.db2.gz VPMTXGXRUHSVND-IBGZPJMESA-N 0 1 385.472 0.948 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571266729 945551606 /nfs/dbraw/zinc/55/16/06/945551606.db2.gz YBRXZFKDCMKVDW-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571266729 945551611 /nfs/dbraw/zinc/55/16/11/945551611.db2.gz YBRXZFKDCMKVDW-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN CN(c1nccnc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571266754 945552369 /nfs/dbraw/zinc/55/23/69/945552369.db2.gz YPHNXWARCRZJNT-AWEZNQCLSA-N 0 1 385.476 0.568 20 0 GCADMN CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001571266754 945552382 /nfs/dbraw/zinc/55/23/82/945552382.db2.gz YPHNXWARCRZJNT-AWEZNQCLSA-N 0 1 385.476 0.568 20 0 GCADMN CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001571266754 945552393 /nfs/dbraw/zinc/55/23/93/945552393.db2.gz YPHNXWARCRZJNT-AWEZNQCLSA-N 0 1 385.476 0.568 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCCC1 ZINC001571266806 945554012 /nfs/dbraw/zinc/55/40/12/945554012.db2.gz ZOAIEKRIHYYPEO-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCCC1 ZINC001571266806 945554019 /nfs/dbraw/zinc/55/40/19/945554019.db2.gz ZOAIEKRIHYYPEO-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571266852 945554185 /nfs/dbraw/zinc/55/41/85/945554185.db2.gz AJFCSCARGLJLNG-RNCFNFMXSA-N 0 1 386.366 0.929 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCCC1 ZINC001571266807 945555480 /nfs/dbraw/zinc/55/54/80/945555480.db2.gz ZOAIEKRIHYYPEO-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCCC1 ZINC001571266807 945555483 /nfs/dbraw/zinc/55/54/83/945555483.db2.gz ZOAIEKRIHYYPEO-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](NC(=O)c1n[nH]cc1F)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571267734 945576494 /nfs/dbraw/zinc/57/64/94/945576494.db2.gz CYHGHOLXELDSBK-NXEZZACHSA-N 0 1 386.395 0.554 20 0 GCADMN Cc1cc(CNC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCCO2)on1 ZINC001571268322 945593702 /nfs/dbraw/zinc/59/37/02/945593702.db2.gz CXNBDVHBZSCDSW-ZDUSSCGKSA-N 0 1 386.416 0.512 20 0 GCADMN O=C(NC[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571268542 945597995 /nfs/dbraw/zinc/59/79/95/945597995.db2.gz GXDOREUWPXXJRM-MKVSYHDVSA-N 0 1 386.431 0.979 20 0 GCADMN O=C(CCc1nc[nH]n1)N1CC[C@@H](CNc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571268853 945605652 /nfs/dbraw/zinc/60/56/52/945605652.db2.gz XWQHOBLMPFYPIM-JTQLQIEISA-N 0 1 386.395 0.412 20 0 GCADMN Cc1nonc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571268832 945606007 /nfs/dbraw/zinc/60/60/07/945606007.db2.gz XSJHKRFODNXCAK-LBPRGKRZSA-N 0 1 386.391 0.949 20 0 GCADMN O=C(N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1=COCCO1 ZINC001571269235 945615300 /nfs/dbraw/zinc/61/53/00/945615300.db2.gz STYWNSRSIUUZRG-NEPJUHHUSA-N 0 1 386.416 0.054 20 0 GCADMN C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571269310 945617159 /nfs/dbraw/zinc/61/71/59/945617159.db2.gz VBLPQNJWUSVYGE-VFPYKDBSSA-N 0 1 386.431 0.977 20 0 GCADMN Cn1cnc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)cc1=O ZINC001571269902 945627564 /nfs/dbraw/zinc/62/75/64/945627564.db2.gz HIXPTLPTVRWKLX-JTQLQIEISA-N 0 1 386.441 0.026 20 0 GCADMN COc1cc(C)sc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571270066 945631052 /nfs/dbraw/zinc/63/10/52/945631052.db2.gz MCALVASYAKCRIH-AOOOYVTPSA-N 0 1 386.441 0.830 20 0 GCADMN COc1cc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)sn1 ZINC001571270570 945638675 /nfs/dbraw/zinc/63/86/75/945638675.db2.gz VJZXIOUOZRICQO-JTQLQIEISA-N 0 1 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ZINC001571272682 945669422 /nfs/dbraw/zinc/66/94/22/945669422.db2.gz HPQXHHAWPVUNLY-HIFRSBDPSA-N 0 1 386.460 0.400 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)[C@@]2(C)CCCOC2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571272799 945671673 /nfs/dbraw/zinc/67/16/73/945671673.db2.gz INNCFTULWFMQDM-JCGVRSQUSA-N 0 1 386.460 0.947 20 0 GCADMN CN1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571273057 945677048 /nfs/dbraw/zinc/67/70/48/945677048.db2.gz NZOFUZXQBYBASU-WHOFXGATSA-N 0 1 386.460 0.304 20 0 GCADMN COC1CCC(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571273219 945682540 /nfs/dbraw/zinc/68/25/40/945682540.db2.gz SUJVOBMBOIXDJS-HSBZDZAISA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@H]1C[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CN1C(=O)C1=NC(=O)N(C)C1 ZINC001571274275 945694818 /nfs/dbraw/zinc/69/48/18/945694818.db2.gz DFLWKFUMXNRVAF-SCZZXKLOSA-N 0 1 387.379 0.555 20 0 GCADMN C[C@]1(CNc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C2(C)CCOCC2)C1 ZINC001571275770 945713268 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GCADMN CC(=O)NCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573518093 946586992 /nfs/dbraw/zinc/58/69/92/946586992.db2.gz XGCAEJXINDCIDE-GFCCVEGCSA-N 0 1 377.474 0.393 20 0 GCADMN CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573518095 946587286 /nfs/dbraw/zinc/58/72/86/946587286.db2.gz XGCAEJXINDCIDE-LBPRGKRZSA-N 0 1 377.474 0.393 20 0 GCADMN CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573518095 946587291 /nfs/dbraw/zinc/58/72/91/946587291.db2.gz XGCAEJXINDCIDE-LBPRGKRZSA-N 0 1 377.474 0.393 20 0 GCADMN CC(=O)NCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573518095 946587300 /nfs/dbraw/zinc/58/73/00/946587300.db2.gz XGCAEJXINDCIDE-LBPRGKRZSA-N 0 1 377.474 0.393 20 0 GCADMN CC(=O)NCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573518095 946587307 /nfs/dbraw/zinc/58/73/07/946587307.db2.gz XGCAEJXINDCIDE-LBPRGKRZSA-N 0 1 377.474 0.393 20 0 GCADMN Nc1nccnc1C(=O)N[C@H]1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571317484 946610633 /nfs/dbraw/zinc/61/06/33/946610633.db2.gz JPDLPVUNQBPJLW-OLQVQODUSA-N 0 1 392.836 0.722 20 0 GCADMN NS(=O)(=O)C1(CNC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCC1 ZINC001571317507 946610657 /nfs/dbraw/zinc/61/06/57/946610657.db2.gz KLKJAINEXFQMCJ-UHFFFAOYSA-N 0 1 392.854 0.309 20 0 GCADMN C[C@@H]1CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CCN1c1cnccn1 ZINC001571317781 946621165 /nfs/dbraw/zinc/62/11/65/946621165.db2.gz VSCDVNVSMYFNDF-SNVBAGLBSA-N 0 1 392.470 0.618 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573523582 946637007 /nfs/dbraw/zinc/63/70/07/946637007.db2.gz SCPSYQLENBEKMN-UHFFFAOYSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573524109 946641440 /nfs/dbraw/zinc/64/14/40/946641440.db2.gz ZTOVAANWGFLCFV-LBPRGKRZSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573524109 946641453 /nfs/dbraw/zinc/64/14/53/946641453.db2.gz ZTOVAANWGFLCFV-LBPRGKRZSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573524108 946641997 /nfs/dbraw/zinc/64/19/97/946641997.db2.gz ZTOVAANWGFLCFV-GFCCVEGCSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573524108 946642001 /nfs/dbraw/zinc/64/20/01/946642001.db2.gz ZTOVAANWGFLCFV-GFCCVEGCSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573528081 946654663 /nfs/dbraw/zinc/65/46/63/946654663.db2.gz SVJWUMSEIXYIHE-JOCQHMNTSA-N 0 1 386.460 0.153 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573528051 946655598 /nfs/dbraw/zinc/65/55/98/946655598.db2.gz ROBIUZGMVZXJDD-HAQNSBGRSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573528051 946655600 /nfs/dbraw/zinc/65/56/00/946655600.db2.gz ROBIUZGMVZXJDD-HAQNSBGRSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573537432 946747800 /nfs/dbraw/zinc/74/78/00/946747800.db2.gz ANWKTBKWUZMADI-WBMJQRKESA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)N[C@@H](CC(C)C)C(=O)NCC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573537442 946750481 /nfs/dbraw/zinc/75/04/81/946750481.db2.gz AVQGWMBTTGBOHC-WBMJQRKESA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000824507346 946754022 /nfs/dbraw/zinc/75/40/22/946754022.db2.gz WQJIJQYZANQJHN-QWRGUYRKSA-N 0 1 391.436 0.220 20 0 GCADMN CC(=O)N[C@H](C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573540432 946776329 /nfs/dbraw/zinc/77/63/29/946776329.db2.gz DQGCWOPJGVSDRE-CYBMUJFWSA-N 0 1 389.464 0.102 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)NCCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573540409 946776914 /nfs/dbraw/zinc/77/69/14/946776914.db2.gz CWVZITVOGBDRKL-CYBMUJFWSA-N 0 1 389.464 0.150 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)NCC[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573540368 946777060 /nfs/dbraw/zinc/77/70/60/946777060.db2.gz AVQGWMBTTGBOHC-BLLLJJGKSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)N[C@H](C(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573540578 946777933 /nfs/dbraw/zinc/77/79/33/946777933.db2.gz GNZPCXAAJPPLPX-XHDPSFHLSA-N 0 1 388.476 0.399 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001573540970 946780759 /nfs/dbraw/zinc/78/07/59/946780759.db2.gz LVPURXJGGMGGGI-MLGOLLRUSA-N 0 1 388.476 0.493 20 0 GCADMN CC(=O)N[C@H](C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573541175 946783055 /nfs/dbraw/zinc/78/30/55/946783055.db2.gz NQFJWMODHGPDSZ-OAHLLOKOSA-N 0 1 388.476 0.707 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573541554 946786229 /nfs/dbraw/zinc/78/62/29/946786229.db2.gz RMLVRBAWGLSWJA-XJKSGUPXSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)Nc1cccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001573546612 946815666 /nfs/dbraw/zinc/81/56/66/946815666.db2.gz HTDPWZAPRXUREZ-JTQLQIEISA-N 0 1 381.400 0.267 20 0 GCADMN CC(=O)Nc1ccc(C(=O)N(C)CCNc2ccncc2-c2nn[nH]n2)cc1 ZINC001573547289 946832800 /nfs/dbraw/zinc/83/28/00/946832800.db2.gz INKCZEOHIJWNBB-UHFFFAOYSA-N 0 1 380.412 0.826 20 0 GCADMN CC(=O)Nc1nc(C(=O)N(C)CCNc2ccncc2-c2nn[nH]n2)cs1 ZINC001573548132 946846904 /nfs/dbraw/zinc/84/69/04/946846904.db2.gz DHKXHENPKQXEIU-UHFFFAOYSA-N 0 1 387.429 0.283 20 0 GCADMN C[C@H](O)CN1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000824706391 946905346 /nfs/dbraw/zinc/90/53/46/946905346.db2.gz IEEZAILCPKBNPW-VKJFTORMSA-N 0 1 399.499 0.749 20 0 GCADMN CC[C@@H](O)CN1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825154092 947102706 /nfs/dbraw/zinc/10/27/06/947102706.db2.gz LLLYRTYGLUAHGJ-MSOLQXFVSA-N 0 1 399.499 0.751 20 0 GCADMN CCC[C@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000825255904 947132812 /nfs/dbraw/zinc/13/28/12/947132812.db2.gz ZPHWYPHLUJQJTM-INIZCTEOSA-N 0 1 395.471 0.971 20 0 GCADMN CCC[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000825255904 947132818 /nfs/dbraw/zinc/13/28/18/947132818.db2.gz ZPHWYPHLUJQJTM-INIZCTEOSA-N 0 1 395.471 0.971 20 0 GCADMN CCC[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000825255904 947132823 /nfs/dbraw/zinc/13/28/23/947132823.db2.gz ZPHWYPHLUJQJTM-INIZCTEOSA-N 0 1 395.471 0.971 20 0 GCADMN C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573591855 947322468 /nfs/dbraw/zinc/32/24/68/947322468.db2.gz GTQGHWHLODLNRB-JSGCOSHPSA-N 0 1 388.476 0.739 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573591856 947323758 /nfs/dbraw/zinc/32/37/58/947323758.db2.gz GTQGHWHLODLNRB-OCCSQVGLSA-N 0 1 388.476 0.739 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(C)(F)F ZINC001573591984 947324630 /nfs/dbraw/zinc/32/46/30/947324630.db2.gz HSMSCAPSBXKLKR-QWRGUYRKSA-N 0 1 383.403 0.809 20 0 GCADMN C[C@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCO1 ZINC001573592302 947331993 /nfs/dbraw/zinc/33/19/93/947331993.db2.gz IYPDRSYVIRLHBM-QWHCGFSZSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@H](C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)n1cncn1 ZINC001573592827 947351443 /nfs/dbraw/zinc/35/14/43/947351443.db2.gz NSBDJABCICGHEU-GFCCVEGCSA-N 0 1 384.448 0.433 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573592877 947353454 /nfs/dbraw/zinc/35/34/54/947353454.db2.gz OCDRUTZNHIIESD-VHSXEESVSA-N 0 1 387.366 0.716 20 0 GCADMN C[C@@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001573593314 947368999 /nfs/dbraw/zinc/36/89/99/947368999.db2.gz JTPFVJYAABHULX-WCQYABFASA-N 0 1 382.432 0.185 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573593512 947371265 /nfs/dbraw/zinc/37/12/65/947371265.db2.gz UINLEIPBASBGFN-RYUDHWBXSA-N 0 1 376.465 0.594 20 0 GCADMN C[C@H](C(=O)N(C)C)N1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C(C)(C)C1 ZINC001573593534 947373506 /nfs/dbraw/zinc/37/35/06/947373506.db2.gz KHCSPKLOILQRCW-RISCZKNCSA-N 0 1 388.476 0.502 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573594466 947395303 /nfs/dbraw/zinc/39/53/03/947395303.db2.gz BAYQAXMMJBBJAR-TZMCWYRMSA-N 0 1 382.428 0.114 20 0 GCADMN C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573594448 947396596 /nfs/dbraw/zinc/39/65/96/947396596.db2.gz AZWAVGHVIQYIEW-QWRGUYRKSA-N 0 1 388.457 0.175 20 0 GCADMN C[C@@H](C(=O)N(C)C)N1CCCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001573594531 947398364 /nfs/dbraw/zinc/39/83/64/947398364.db2.gz PPBQDXVNLUUXHB-LBPRGKRZSA-N 0 1 386.460 0.210 20 0 GCADMN C[C@@H](C(=O)N(C)C)N(C)C[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573594569 947401463 /nfs/dbraw/zinc/40/14/63/947401463.db2.gz QPUTUCWYLIVJRJ-JSGCOSHPSA-N 0 1 388.476 0.598 20 0 GCADMN CN1CCC[C@H](N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)C1=O ZINC000826029540 947409195 /nfs/dbraw/zinc/40/91/95/947409195.db2.gz SVVGNPNUNOZAAD-LBPRGKRZSA-N 0 1 398.427 0.858 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573598308 947441817 /nfs/dbraw/zinc/44/18/17/947441817.db2.gz PZVLGUHYOSVVBM-ABAIWWIYSA-N 0 1 376.436 0.961 20 0 GCADMN C[C@@H](C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC001573604016 947502818 /nfs/dbraw/zinc/50/28/18/947502818.db2.gz QTSGDJADHKVWJJ-AWEZNQCLSA-N 0 1 387.492 0.816 20 0 GCADMN C[C@@H](C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573604016 947502827 /nfs/dbraw/zinc/50/28/27/947502827.db2.gz QTSGDJADHKVWJJ-AWEZNQCLSA-N 0 1 387.492 0.816 20 0 GCADMN C[C@@H](C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1)N(C)CC(F)(F)F ZINC001573605772 947534964 /nfs/dbraw/zinc/53/49/64/947534964.db2.gz ZNFPECCNDDSYII-JTQLQIEISA-N 0 1 386.382 0.437 20 0 GCADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573614516 947588057 /nfs/dbraw/zinc/58/80/57/947588057.db2.gz MPUNSUJEBJWSEO-SJKOYZFVSA-N 0 1 382.432 0.187 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573614800 947592376 /nfs/dbraw/zinc/59/23/76/947592376.db2.gz HKDGVZMGKLVRLY-STQMWFEESA-N 0 1 382.432 0.187 20 0 GCADMN C=Cc1ccc(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)cc1 ZINC001573351105 947607482 /nfs/dbraw/zinc/60/74/82/947607482.db2.gz KLLMKKCASWBHSJ-UHFFFAOYSA-N 0 1 379.424 0.873 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573615677 947609165 /nfs/dbraw/zinc/60/91/65/947609165.db2.gz JRIHPNRSXLWFPG-QWHCGFSZSA-N 0 1 379.428 0.538 20 0 GCADMN C=Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)cc1 ZINC001573355465 947644027 /nfs/dbraw/zinc/64/40/27/947644027.db2.gz PMMLJQLPCOLFLH-OAHLLOKOSA-N 0 1 392.423 0.935 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573617982 947645582 /nfs/dbraw/zinc/64/55/82/947645582.db2.gz OBNZIYNNMNIWMO-YPMHNXCESA-N 0 1 382.432 0.231 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618262 947647381 /nfs/dbraw/zinc/64/73/81/947647381.db2.gz RHFPSJXZZBVMHX-UGSOOPFHSA-N 0 1 381.444 0.792 20 0 GCADMN C=Cc1ccc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)cc1 ZINC001573355947 947648511 /nfs/dbraw/zinc/64/85/11/947648511.db2.gz TTZZIZZKMKAAFJ-OAHLLOKOSA-N 0 1 379.424 0.838 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573619438 947665119 /nfs/dbraw/zinc/66/51/19/947665119.db2.gz WFZRQVYHGNOODV-QWHCGFSZSA-N 0 1 382.432 0.187 20 0 GCADMN C[C@H](C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)c1cnn(C)c1 ZINC001573622606 947681780 /nfs/dbraw/zinc/68/17/80/947681780.db2.gz BJWPLAYTIAWYMW-LBPRGKRZSA-N 0 1 381.444 0.624 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCCC1 ZINC001573626377 947709638 /nfs/dbraw/zinc/70/96/38/947709638.db2.gz UHFBRVGMVCSWGH-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCCC1 ZINC001573626377 947709648 /nfs/dbraw/zinc/70/96/48/947709648.db2.gz UHFBRVGMVCSWGH-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573627905 947736399 /nfs/dbraw/zinc/73/63/99/947736399.db2.gz HEKWXQGGEBIFFS-AAEUAGOBSA-N 0 1 382.432 0.019 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573372946 947786439 /nfs/dbraw/zinc/78/64/39/947786439.db2.gz GEZICKPQBZTDMG-CQSZACIVSA-N 0 1 386.460 0.879 20 0 GCADMN CC(=O)CCCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573373152 947790945 /nfs/dbraw/zinc/79/09/45/947790945.db2.gz BCEMODXKZMZUGR-ZDUSSCGKSA-N 0 1 384.444 0.891 20 0 GCADMN C[C@H](C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573630741 947794287 /nfs/dbraw/zinc/79/42/87/947794287.db2.gz RWINQPHURJENLD-AAEUAGOBSA-N 0 1 382.432 0.019 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573630686 947795942 /nfs/dbraw/zinc/79/59/42/947795942.db2.gz RQBWAKIFKMDIAF-GXTWGEPZSA-N 0 1 386.460 0.493 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573376088 947828507 /nfs/dbraw/zinc/82/85/07/947828507.db2.gz WILPSTLCESOOHW-ZIAGYGMSSA-N 0 1 386.460 0.877 20 0 GCADMN C[C@@H](C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573638019 947831505 /nfs/dbraw/zinc/83/15/05/947831505.db2.gz YVAJBNSHLWQAAE-QWRGUYRKSA-N 0 1 376.421 0.742 20 0 GCADMN C[C@H](C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573638827 947843932 /nfs/dbraw/zinc/84/39/32/947843932.db2.gz WPFDKIUCIAIYRB-MNOVXSKESA-N 0 1 376.421 0.600 20 0 GCADMN C[C@H](C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573639744 947847669 /nfs/dbraw/zinc/84/76/69/947847669.db2.gz CBWSXDXQDRSNDG-NXEZZACHSA-N 0 1 382.375 0.009 20 0 GCADMN C[C@@H](C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573642980 947862904 /nfs/dbraw/zinc/86/29/04/947862904.db2.gz SAFVHTDVYQTIHL-QWRGUYRKSA-N 0 1 381.387 0.614 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccn1 ZINC001573646243 947873569 /nfs/dbraw/zinc/87/35/69/947873569.db2.gz ISUBZZPBUVHMKK-RWMBFGLXSA-N 0 1 380.416 0.152 20 0 GCADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)[C@H]1CCCO1 ZINC001573647064 947881782 /nfs/dbraw/zinc/88/17/82/947881782.db2.gz BJDVGRBOUMXVEC-IGQOVBAYSA-N 0 1 384.444 0.366 20 0 GCADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)c1ccco1 ZINC001573648188 947905351 /nfs/dbraw/zinc/90/53/51/947905351.db2.gz XRAVQPCNVBXBCF-RWMBFGLXSA-N 0 1 380.412 0.948 20 0 GCADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573648187 947905789 /nfs/dbraw/zinc/90/57/89/947905789.db2.gz XPCZTGVCJDVNIC-NTZNESFSSA-N 0 1 387.473 0.717 20 0 GCADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573648187 947905798 /nfs/dbraw/zinc/90/57/98/947905798.db2.gz XPCZTGVCJDVNIC-NTZNESFSSA-N 0 1 387.473 0.717 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573387642 947912370 /nfs/dbraw/zinc/91/23/70/947912370.db2.gz CUZSFAXHTUJRFL-UHFFFAOYSA-N 0 1 386.869 0.350 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573388231 947917053 /nfs/dbraw/zinc/91/70/53/947917053.db2.gz JMXQIDNXCFRHGQ-LLVKDONJSA-N 0 1 377.424 0.421 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001573389448 947924557 /nfs/dbraw/zinc/92/45/57/947924557.db2.gz RBRPGJKDZMDWCM-UHFFFAOYSA-N 0 1 379.490 0.687 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573389448 947924559 /nfs/dbraw/zinc/92/45/59/947924559.db2.gz RBRPGJKDZMDWCM-UHFFFAOYSA-N 0 1 379.490 0.687 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573389448 947924563 /nfs/dbraw/zinc/92/45/63/947924563.db2.gz RBRPGJKDZMDWCM-UHFFFAOYSA-N 0 1 379.490 0.687 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCC[N@H+](C)Cc1ccc(-c2nn[n-]n2)s1 ZINC001573389448 947924567 /nfs/dbraw/zinc/92/45/67/947924567.db2.gz RBRPGJKDZMDWCM-UHFFFAOYSA-N 0 1 379.490 0.687 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccc(-c2nn[n-]n2)s1 ZINC001573389448 947924570 /nfs/dbraw/zinc/92/45/70/947924570.db2.gz RBRPGJKDZMDWCM-UHFFFAOYSA-N 0 1 379.490 0.687 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)C[C@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001573389600 947926614 /nfs/dbraw/zinc/92/66/14/947926614.db2.gz UNFRRXFYRBBJRQ-NSHDSACASA-N 0 1 377.424 0.421 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573390128 947928151 /nfs/dbraw/zinc/92/81/51/947928151.db2.gz WMMIJNNKMUNLCP-UHFFFAOYSA-N 0 1 377.424 0.374 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CC[C@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573390619 947930274 /nfs/dbraw/zinc/93/02/74/947930274.db2.gz YZTCCGQCCYLZMY-HNNXBMFYSA-N 0 1 388.476 0.447 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573391836 947938266 /nfs/dbraw/zinc/93/82/66/947938266.db2.gz METUKPQRBAMVAH-CYBMUJFWSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573391836 947938270 /nfs/dbraw/zinc/93/82/70/947938270.db2.gz METUKPQRBAMVAH-CYBMUJFWSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H](C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573391966 947938360 /nfs/dbraw/zinc/93/83/60/947938360.db2.gz NCQBYYVWKQFUEH-OCCSQVGLSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001573391989 947940571 /nfs/dbraw/zinc/94/05/71/947940571.db2.gz OALQCZCANHETGT-XJKSGUPXSA-N 0 1 384.444 0.086 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573392070 947940910 /nfs/dbraw/zinc/94/09/10/947940910.db2.gz QTFWEQLOAJLAQR-GFCCVEGCSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573392070 947940920 /nfs/dbraw/zinc/94/09/20/947940920.db2.gz QTFWEQLOAJLAQR-GFCCVEGCSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCCC[C@@H]1[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573392106 947942069 /nfs/dbraw/zinc/94/20/69/947942069.db2.gz SDUDALOEANADAH-BLLLJJGKSA-N 0 1 386.460 0.343 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573392178 947944398 /nfs/dbraw/zinc/94/43/98/947944398.db2.gz UZSVQWOQYTYNDT-GXTWGEPZSA-N 0 1 389.485 0.439 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573392178 947944408 /nfs/dbraw/zinc/94/44/08/947944408.db2.gz UZSVQWOQYTYNDT-GXTWGEPZSA-N 0 1 389.485 0.439 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC(C)(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573392496 947948426 /nfs/dbraw/zinc/94/84/26/947948426.db2.gz BWEJYXJGPGRYIB-UHFFFAOYSA-N 0 1 386.460 0.263 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573392626 947948864 /nfs/dbraw/zinc/94/88/64/947948864.db2.gz CMFGSHCXJKOSOH-GXTWGEPZSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573393966 947960120 /nfs/dbraw/zinc/96/01/20/947960120.db2.gz RIBBHHUAIQMOQS-UHFFFAOYSA-N 0 1 386.460 0.121 20 0 GCADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001573655403 947976966 /nfs/dbraw/zinc/97/69/66/947976966.db2.gz XEPLMPMFCOTYCW-GTNSWQLSSA-N 0 1 382.432 0.233 20 0 GCADMN Cc1onc(CC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826343029 947986563 /nfs/dbraw/zinc/98/65/63/947986563.db2.gz JNRPHQZCUVACBM-NSHDSACASA-N 0 1 377.449 0.257 20 0 GCADMN Cc1onc(CC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826343029 947986570 /nfs/dbraw/zinc/98/65/70/947986570.db2.gz JNRPHQZCUVACBM-NSHDSACASA-N 0 1 377.449 0.257 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573399221 947990312 /nfs/dbraw/zinc/99/03/12/947990312.db2.gz TYRKBRPYBDNBGZ-NSHDSACASA-N 0 1 389.435 0.421 20 0 GCADMN C[C@H](C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573656472 947990675 /nfs/dbraw/zinc/99/06/75/947990675.db2.gz GRJJZTAUAPPCGA-GTNSWQLSSA-N 0 1 382.432 0.279 20 0 GCADMN Cc1onc(CC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1-c1nnn[n-]1 ZINC000826343567 947993004 /nfs/dbraw/zinc/99/30/04/947993004.db2.gz GMWWIFDHRIHIPF-AWEZNQCLSA-N 0 1 389.460 0.809 20 0 GCADMN Cc1onc(CC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)c1-c1nn[n-]n1 ZINC000826343567 947993009 /nfs/dbraw/zinc/99/30/09/947993009.db2.gz GMWWIFDHRIHIPF-AWEZNQCLSA-N 0 1 389.460 0.809 20 0 GCADMN CC(=O)N(C)CC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCCC1 ZINC001573399787 947994033 /nfs/dbraw/zinc/99/40/33/947994033.db2.gz YPECSFGXQKDQAI-UHFFFAOYSA-N 0 1 386.460 0.393 20 0 GCADMN C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573656854 947994670 /nfs/dbraw/zinc/99/46/70/947994670.db2.gz IUUYVZNEJBYKMD-CHWSQXEVSA-N 0 1 386.460 0.735 20 0 GCADMN Cc1onc(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)c1-c1nnn[n-]1 ZINC000826343934 947999434 /nfs/dbraw/zinc/99/94/34/947999434.db2.gz RGMPAGMKODZVLX-UHFFFAOYSA-N 0 1 377.449 0.665 20 0 GCADMN Cc1onc(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)c1-c1nn[n-]n1 ZINC000826343934 947999439 /nfs/dbraw/zinc/99/94/39/947999439.db2.gz RGMPAGMKODZVLX-UHFFFAOYSA-N 0 1 377.449 0.665 20 0 GCADMN C[C@H](C(=O)NC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573657370 948001263 /nfs/dbraw/zinc/00/12/63/948001263.db2.gz MTDATVLBWZEBRI-GFCCVEGCSA-N 0 1 382.432 0.590 20 0 GCADMN Cc1onc(CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1-c1nnn[n-]1 ZINC000826344208 948002019 /nfs/dbraw/zinc/00/20/19/948002019.db2.gz AMOAMKHTCQLCGI-KWCYVHTRSA-N 0 1 375.433 0.416 20 0 GCADMN Cc1onc(CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1-c1nn[n-]n1 ZINC000826344208 948002026 /nfs/dbraw/zinc/00/20/26/948002026.db2.gz AMOAMKHTCQLCGI-KWCYVHTRSA-N 0 1 375.433 0.416 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573403044 948009218 /nfs/dbraw/zinc/00/92/18/948009218.db2.gz KTFYIRXRUSNIIM-HIFRSBDPSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573404168 948017677 /nfs/dbraw/zinc/01/76/77/948017677.db2.gz QXYSRUSCQQFZNR-LBPRGKRZSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573404365 948022696 /nfs/dbraw/zinc/02/26/96/948022696.db2.gz SOJUBFHLROSSEE-KGLIPLIRSA-N 0 1 386.460 0.310 20 0 GCADMN CC(=O)N(C)CC(=O)NCCC1(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573404482 948027055 /nfs/dbraw/zinc/02/70/55/948027055.db2.gz GBCCBIINOJBQPL-UHFFFAOYSA-N 0 1 386.460 0.169 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCCC1 ZINC001573404928 948034519 /nfs/dbraw/zinc/03/45/19/948034519.db2.gz KTCBSPUTYWIFMD-UHFFFAOYSA-N 0 1 386.460 0.393 20 0 GCADMN C[C@H](C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573663312 948035730 /nfs/dbraw/zinc/03/57/30/948035730.db2.gz LCLOYYKJZAKLHB-DCBWTQNWSA-N 0 1 381.444 0.528 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573405333 948043062 /nfs/dbraw/zinc/04/30/62/948043062.db2.gz PHMUJXXBRMTZHV-AWEZNQCLSA-N 0 1 386.460 0.381 20 0 GCADMN Cc1onc(CC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826347233 948051417 /nfs/dbraw/zinc/05/14/17/948051417.db2.gz JPLYRJIKRIGJMI-UHFFFAOYSA-N 0 1 381.440 0.921 20 0 GCADMN Cc1onc(CC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826347233 948051422 /nfs/dbraw/zinc/05/14/22/948051422.db2.gz JPLYRJIKRIGJMI-UHFFFAOYSA-N 0 1 381.440 0.921 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573406548 948053402 /nfs/dbraw/zinc/05/34/02/948053402.db2.gz KHGQVCJMVKJHAC-TXEJJXNPSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573406548 948053413 /nfs/dbraw/zinc/05/34/13/948053413.db2.gz KHGQVCJMVKJHAC-TXEJJXNPSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573406441 948053760 /nfs/dbraw/zinc/05/37/60/948053760.db2.gz IPPCFRRCRLPZER-HUUCEWRRSA-N 0 1 386.460 0.310 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@]12CCC[C@H]1CN(c1cc(C)[nH+]cc1-c1nnn[n-]1)C2 ZINC001573409888 948077502 /nfs/dbraw/zinc/07/75/02/948077502.db2.gz YARTWCLVTQOOME-LIRRHRJNSA-N 0 1 398.471 0.524 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC[C@@H]2CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573413838 948086504 /nfs/dbraw/zinc/08/65/04/948086504.db2.gz HEIVTGHYGMGDSL-CQSZACIVSA-N 0 1 384.444 0.167 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC[C@H]2CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573413836 948086523 /nfs/dbraw/zinc/08/65/23/948086523.db2.gz HEIVTGHYGMGDSL-AWEZNQCLSA-N 0 1 384.444 0.167 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573667136 948094474 /nfs/dbraw/zinc/09/44/74/948094474.db2.gz YEJVVBDPYDSLGB-GXTWGEPZSA-N 0 1 379.428 0.940 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573415119 948101159 /nfs/dbraw/zinc/10/11/59/948101159.db2.gz SXFQHBRLFFMHBY-IINYFYTJSA-N 0 1 389.485 0.343 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573415119 948101163 /nfs/dbraw/zinc/10/11/63/948101163.db2.gz SXFQHBRLFFMHBY-IINYFYTJSA-N 0 1 389.485 0.343 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573415120 948102306 /nfs/dbraw/zinc/10/23/06/948102306.db2.gz SXFQHBRLFFMHBY-QMTHXVAHSA-N 0 1 389.485 0.343 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573415120 948102314 /nfs/dbraw/zinc/10/23/14/948102314.db2.gz SXFQHBRLFFMHBY-QMTHXVAHSA-N 0 1 389.485 0.343 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573671362 948107221 /nfs/dbraw/zinc/10/72/21/948107221.db2.gz FGPUUKQOKQDFLU-ZIAGYGMSSA-N 0 1 385.476 0.616 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](CNc2ccncc2-c2nn[nH]n2)CC(C)C)C1 ZINC001573418539 948117810 /nfs/dbraw/zinc/11/78/10/948117810.db2.gz GTVJUNKXDAVASQ-AWEZNQCLSA-N 0 1 386.460 0.105 20 0 GCADMN Cn1cc(CN2CC[C@]3(C2)NC(=O)NC3=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360600 948122568 /nfs/dbraw/zinc/12/25/68/948122568.db2.gz QOIDZVDRCHRRAL-GOSISDBHSA-N 0 1 393.411 0.051 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001573419850 948130387 /nfs/dbraw/zinc/13/03/87/948130387.db2.gz UIYYDEPZZDRJTL-QGZVFWFLSA-N 0 1 383.456 0.426 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)C1 ZINC001573419849 948130959 /nfs/dbraw/zinc/13/09/59/948130959.db2.gz UIYYDEPZZDRJTL-KRWDZBQOSA-N 0 1 383.456 0.426 20 0 GCADMN CC(=O)N1CC(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573420181 948134525 /nfs/dbraw/zinc/13/45/25/948134525.db2.gz YQOLPFDHJXQWBD-UHFFFAOYSA-N 0 1 389.485 0.391 20 0 GCADMN CC(=O)N1CC(C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573420181 948134529 /nfs/dbraw/zinc/13/45/29/948134529.db2.gz YQOLPFDHJXQWBD-UHFFFAOYSA-N 0 1 389.485 0.391 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cncn1 ZINC001573677479 948137673 /nfs/dbraw/zinc/13/76/73/948137673.db2.gz AXHXFWXMOJPZOP-GXFFZTMASA-N 0 1 387.473 0.765 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cncn1 ZINC001573677479 948137681 /nfs/dbraw/zinc/13/76/81/948137681.db2.gz AXHXFWXMOJPZOP-GXFFZTMASA-N 0 1 387.473 0.765 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677556 948139815 /nfs/dbraw/zinc/13/98/15/948139815.db2.gz XRAUQMCLMJYEHO-ZIAGYGMSSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)n1cccn1 ZINC001573678396 948151695 /nfs/dbraw/zinc/15/16/95/948151695.db2.gz HLLZAGHQRLCEFO-NEPJUHHUSA-N 0 1 382.432 0.445 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)C1 ZINC001573427244 948163882 /nfs/dbraw/zinc/16/38/82/948163882.db2.gz VWOBSTQACKSZAN-ABAIWWIYSA-N 0 1 384.444 0.132 20 0 GCADMN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cccc1 ZINC001573679658 948166082 /nfs/dbraw/zinc/16/60/82/948166082.db2.gz JDHKXZVMTQKPFX-NWDGAFQWSA-N 0 1 375.458 0.558 20 0 GCADMN CC(=O)N1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573428956 948168142 /nfs/dbraw/zinc/16/81/42/948168142.db2.gz FFELRDJWLBAJRP-LLVKDONJSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573428956 948168154 /nfs/dbraw/zinc/16/81/54/948168154.db2.gz FFELRDJWLBAJRP-LLVKDONJSA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)[C@@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573679984 948170732 /nfs/dbraw/zinc/17/07/32/948170732.db2.gz KQAQWSGCUMUDQH-TZMCWYRMSA-N 0 1 381.444 0.830 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001573430119 948176405 /nfs/dbraw/zinc/17/64/05/948176405.db2.gz ODUMMRINPRGQJE-CALCHBBNSA-N 0 1 382.472 0.926 20 0 GCADMN C[C@H](C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cnn(C)c1 ZINC001573680570 948182080 /nfs/dbraw/zinc/18/20/80/948182080.db2.gz ONAPPEUURXOGED-MEDUHNTESA-N 0 1 381.444 0.528 20 0 GCADMN C[C@H](C(=O)NC[C@H](C)N(C)c1nccnc1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC001573680946 948192082 /nfs/dbraw/zinc/19/20/82/948192082.db2.gz SSKXIHNSYQMNRF-UONOGXRCSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@H](C(=O)NC[C@H](C)N(C)c1nccnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573680946 948192087 /nfs/dbraw/zinc/19/20/87/948192087.db2.gz SSKXIHNSYQMNRF-UONOGXRCSA-N 0 1 387.492 0.862 20 0 GCADMN CC(=O)N1CCC(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001573434266 948210455 /nfs/dbraw/zinc/21/04/55/948210455.db2.gz PJRXGOVMWQPZEB-HDJSIYSDSA-N 0 1 384.444 0.001 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCCCC1 ZINC001573681787 948212994 /nfs/dbraw/zinc/21/29/94/948212994.db2.gz XWIQTTSRNDTFFL-ZFWWWQNUSA-N 0 1 388.476 0.415 20 0 GCADMN C[C@H](C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1ccccc1F ZINC001573681790 948214317 /nfs/dbraw/zinc/21/43/17/948214317.db2.gz XYVWAJFHRXRYQM-RYUDHWBXSA-N 0 1 385.403 0.515 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573689934 948221713 /nfs/dbraw/zinc/22/17/13/948221713.db2.gz ASBMGBBSYYUHJZ-HTQZYQBOSA-N 0 1 378.380 0.693 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573689934 948221723 /nfs/dbraw/zinc/22/17/23/948221723.db2.gz ASBMGBBSYYUHJZ-HTQZYQBOSA-N 0 1 378.380 0.693 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccccc1F ZINC001573690873 948231457 /nfs/dbraw/zinc/23/14/57/948231457.db2.gz FXFKCLLNVRUREA-VXGBXAGGSA-N 0 1 385.403 0.515 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N(C)C[C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573435542 948233049 /nfs/dbraw/zinc/23/30/49/948233049.db2.gz YLPBXIRXMSFCGM-SGTLLEGYSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573438430 948234143 /nfs/dbraw/zinc/23/41/43/948234143.db2.gz AKNODDYPEMJLTN-GXTWGEPZSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573435730 948235257 /nfs/dbraw/zinc/23/52/57/948235257.db2.gz ZYCHFTBYBZURJJ-XIKOKIGWSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)Cc1cccc(Cl)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573691197 948238091 /nfs/dbraw/zinc/23/80/91/948238091.db2.gz IBYPEQDDPVLSTH-SKDRFNHKSA-N 0 1 376.808 0.392 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1cccnc1 ZINC001573691334 948239334 /nfs/dbraw/zinc/23/93/34/948239334.db2.gz FHLPCFLMFRBRPP-GFCCVEGCSA-N 0 1 379.428 0.728 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)Cc1cccc(Cl)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573691195 948239678 /nfs/dbraw/zinc/23/96/78/948239678.db2.gz IBYPEQDDPVLSTH-JOYOIKCWSA-N 0 1 376.808 0.392 20 0 GCADMN O=C(CCc1nc[nH]n1)O[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826409796 948245377 /nfs/dbraw/zinc/24/53/77/948245377.db2.gz PMPRSDKPIAZECI-ZDUSSCGKSA-N 0 1 382.384 0.656 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N(C)[C@@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573440078 948260488 /nfs/dbraw/zinc/26/04/88/948260488.db2.gz ZJCNYDXGSABPDA-GXTWGEPZSA-N 0 1 386.460 0.201 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)c1cnn(C)c1 ZINC001573692402 948262541 /nfs/dbraw/zinc/26/25/41/948262541.db2.gz PKFKTMARSDJKII-LBPRGKRZSA-N 0 1 381.444 0.672 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NCCN(C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573442488 948294094 /nfs/dbraw/zinc/29/40/94/948294094.db2.gz IHXRVBITTAHMAT-KRWDZBQOSA-N 0 1 385.472 0.673 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(C)(F)F ZINC001573695881 948311073 /nfs/dbraw/zinc/31/10/73/948311073.db2.gz JFJFMXRNCKAAMO-DBIOUOCHSA-N 0 1 378.387 0.746 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)n1cccn1 ZINC001573696132 948317947 /nfs/dbraw/zinc/31/79/47/948317947.db2.gz LMDPUJBTBNJFOM-NZBPQXDJSA-N 0 1 379.428 0.518 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573445288 948324775 /nfs/dbraw/zinc/32/47/75/948324775.db2.gz ZNHYLERJUOYPPI-JSGCOSHPSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573446285 948326888 /nfs/dbraw/zinc/32/68/88/948326888.db2.gz CTVIRKDNAXJIFQ-UKRRQHHQSA-N 0 1 384.444 0.276 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573446421 948329503 /nfs/dbraw/zinc/32/95/03/948329503.db2.gz FHYWFYNIIXQKEN-XJKSGUPXSA-N 0 1 384.444 0.097 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573446672 948333459 /nfs/dbraw/zinc/33/34/59/948333459.db2.gz MBAMTECLOQMKNV-SEEARECTSA-N 0 1 384.444 0.001 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573447094 948339775 /nfs/dbraw/zinc/33/97/75/948339775.db2.gz VBWUSSDXRQKETE-SWLSCSKDSA-N 0 1 386.460 0.522 20 0 GCADMN C[C@H](C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573704670 948381142 /nfs/dbraw/zinc/38/11/42/948381142.db2.gz UPLFAYJCUPJKHE-DCBWTQNWSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@H](C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573705523 948402340 /nfs/dbraw/zinc/40/23/40/948402340.db2.gz FVMVWLRBPBCWCN-ZDUSSCGKSA-N 0 1 380.456 0.952 20 0 GCADMN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3-c3nn[nH]n3)cc2[nH]c1=O ZINC000826501166 948416636 /nfs/dbraw/zinc/41/66/36/948416636.db2.gz CPCBJGDVFUBEQG-UHFFFAOYSA-N 0 1 385.365 0.197 20 0 GCADMN C[C@H](C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573706926 948427054 /nfs/dbraw/zinc/42/70/54/948427054.db2.gz LRWVJOICWYZYFP-BLLLJJGKSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573714511 948472613 /nfs/dbraw/zinc/47/26/13/948472613.db2.gz HKJTUEYBJNRYEY-QWHCGFSZSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCC(=O)N1 ZINC001573715509 948490768 /nfs/dbraw/zinc/49/07/68/948490768.db2.gz XNVOTJUWGGFFCS-ZYHUDNBSSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCC(=O)N1 ZINC001573715509 948490774 /nfs/dbraw/zinc/49/07/74/948490774.db2.gz XNVOTJUWGGFFCS-ZYHUDNBSSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCC(=O)N1 ZINC001573715508 948491213 /nfs/dbraw/zinc/49/12/13/948491213.db2.gz XNVOTJUWGGFFCS-PWSUYJOCSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCC(=O)N1 ZINC001573715508 948491218 /nfs/dbraw/zinc/49/12/18/948491218.db2.gz XNVOTJUWGGFFCS-PWSUYJOCSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573716546 948500132 /nfs/dbraw/zinc/50/01/32/948500132.db2.gz HJJRRZNTVVURSY-QWRGUYRKSA-N 0 1 375.462 0.765 20 0 GCADMN C[C@@H](CCNC(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573716546 948500135 /nfs/dbraw/zinc/50/01/35/948500135.db2.gz HJJRRZNTVVURSY-QWRGUYRKSA-N 0 1 375.462 0.765 20 0 GCADMN C[C@@H](C(=O)NCCOCCN(C)c1ccncc1-c1nn[nH]n1)n1cccn1 ZINC001573716561 948500680 /nfs/dbraw/zinc/50/06/80/948500680.db2.gz HVNVFUPDABKABF-ZDUSSCGKSA-N 0 1 385.432 0.288 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573726797 948552202 /nfs/dbraw/zinc/55/22/02/948552202.db2.gz KLBNBSHXPPXGJI-HZSPNIEDSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H](C(=O)NCc1ccc(OCC(F)(F)F)nn1)n1cnc(-c2nn[nH]n2)n1 ZINC001573727723 948555506 /nfs/dbraw/zinc/55/55/06/948555506.db2.gz BSZZNWTWTDJPPI-SSDOTTSWSA-N 0 1 398.309 0.067 20 0 GCADMN C[C@H](C(=O)NCc1cc(Br)ccn1)n1cnc(-c2nn[nH]n2)n1 ZINC001573727673 948556053 /nfs/dbraw/zinc/55/60/53/948556053.db2.gz BISRNEKUXJJPBA-SSDOTTSWSA-N 0 1 378.194 0.493 20 0 GCADMN C[C@H](C(=O)NCc1sncc1Br)n1cnc(-c2nn[nH]n2)n1 ZINC001573729074 948566336 /nfs/dbraw/zinc/56/63/36/948566336.db2.gz GARSTHXCUCDWBB-RXMQYKEDSA-N 0 1 384.223 0.555 20 0 GCADMN C[C@H](C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1)N(C)CC(F)(F)F ZINC001573731138 948586877 /nfs/dbraw/zinc/58/68/77/948586877.db2.gz DLPYBQHGFIPKRL-VHSXEESVSA-N 0 1 386.382 0.483 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)n1cnc(-c2nn[nH]n2)n1 ZINC001573741973 948657405 /nfs/dbraw/zinc/65/74/05/948657405.db2.gz HAOWUSJVHKBGJK-VWYCJHECSA-N 0 1 391.436 0.533 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573746801 948683538 /nfs/dbraw/zinc/68/35/38/948683538.db2.gz LFAXXTRZJRBUFM-DCQANWLSSA-N 0 1 389.485 0.580 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573746801 948683546 /nfs/dbraw/zinc/68/35/46/948683546.db2.gz LFAXXTRZJRBUFM-DCQANWLSSA-N 0 1 389.485 0.580 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573751914 948706873 /nfs/dbraw/zinc/70/68/73/948706873.db2.gz HTPAYPKAZMGPPB-NDBYEHHHSA-N 0 1 380.416 0.340 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573752300 948713055 /nfs/dbraw/zinc/71/30/55/948713055.db2.gz MPRZMSFBTDCXSS-MGPQQGTHSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573752498 948714989 /nfs/dbraw/zinc/71/49/89/948714989.db2.gz NOPXEVUXTOFQMS-CRWXNKLISA-N 0 1 379.428 0.945 20 0 GCADMN CC(C)[C@H](F)C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574075853 948749316 /nfs/dbraw/zinc/74/93/16/948749316.db2.gz ZOIASBJVMIHTJT-AAEUAGOBSA-N 0 1 378.412 0.102 20 0 GCADMN CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001574416409 948749550 /nfs/dbraw/zinc/74/95/50/948749550.db2.gz UVDIEYVKCJTKRY-CYBMUJFWSA-N 0 1 382.428 0.405 20 0 GCADMN CC(C)[C@H](F)C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574075859 948750451 /nfs/dbraw/zinc/75/04/51/948750451.db2.gz ZOIASBJVMIHTJT-YPMHNXCESA-N 0 1 378.412 0.102 20 0 GCADMN CC(F)(F)C1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575221707 948752094 /nfs/dbraw/zinc/75/20/94/948752094.db2.gz BSJKNIYCRGCFLY-UWVGGRQHSA-N 0 1 376.371 0.882 20 0 GCADMN C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574914666 948755048 /nfs/dbraw/zinc/75/50/48/948755048.db2.gz MDVQWQVXNNBRGM-GFCCVEGCSA-N 0 1 382.428 0.936 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575223236 948761228 /nfs/dbraw/zinc/76/12/28/948761228.db2.gz LWVZDZNXRMKQNE-MGCOHNPYSA-N 0 1 378.387 0.821 20 0 GCADMN CC(F)(F)CC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575224162 948777336 /nfs/dbraw/zinc/77/73/36/948777336.db2.gz JRPVYMUIGYPOFX-HNNXBMFYSA-N 0 1 382.375 0.150 20 0 GCADMN CC(F)(F)CC(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575224167 948778584 /nfs/dbraw/zinc/77/85/84/948778584.db2.gz JRPVYMUIGYPOFX-OAHLLOKOSA-N 0 1 382.375 0.150 20 0 GCADMN CC(F)(F)CC(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001575224305 948781347 /nfs/dbraw/zinc/78/13/47/948781347.db2.gz MEJCWKAIWUAROK-VHSXEESVSA-N 0 1 378.387 0.963 20 0 GCADMN C[C@H](CNC(=O)CCc1cn(C)nn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574916597 948781674 /nfs/dbraw/zinc/78/16/74/948781674.db2.gz FGJFPJAASWHRMQ-LLVKDONJSA-N 0 1 387.423 0.361 20 0 GCADMN CC(F)(F)CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001575224306 948781858 /nfs/dbraw/zinc/78/18/58/948781858.db2.gz MEJCWKAIWUAROK-ZJUUUORDSA-N 0 1 378.387 0.963 20 0 GCADMN C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574679579 948789683 /nfs/dbraw/zinc/78/96/83/948789683.db2.gz YGPBYJNFLZOJGR-ZDUSSCGKSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574679579 948789698 /nfs/dbraw/zinc/78/96/98/948789698.db2.gz YGPBYJNFLZOJGR-ZDUSSCGKSA-N 0 1 385.476 0.839 20 0 GCADMN CC(F)(F)C1(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575224719 948792850 /nfs/dbraw/zinc/79/28/50/948792850.db2.gz XPQKIYQHZVXCBT-JTQLQIEISA-N 0 1 378.387 0.917 20 0 GCADMN CC(C)c1ccccc1C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574420217 948794060 /nfs/dbraw/zinc/79/40/60/948794060.db2.gz QTNNZJCRIIPNRI-GFCCVEGCSA-N 0 1 382.428 0.405 20 0 GCADMN CC(F)(F)CC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001575225104 948797011 /nfs/dbraw/zinc/79/70/11/948797011.db2.gz WNRWBRNUUCMBKB-UHFFFAOYSA-N 0 1 381.387 0.806 20 0 GCADMN CC(F)(F)CC(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575226927 948823600 /nfs/dbraw/zinc/82/36/00/948823600.db2.gz PEJAGWNCEOWJPB-INIZCTEOSA-N 0 1 381.387 0.494 20 0 GCADMN C[C@H](CNC(=O)CCCNC(=O)C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574917978 948832403 /nfs/dbraw/zinc/83/24/03/948832403.db2.gz DWQLDXGHVSIGEP-GFCCVEGCSA-N 0 1 388.476 0.543 20 0 GCADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C1=NC(=O)N(C)C1 ZINC001574684075 948853306 /nfs/dbraw/zinc/85/33/06/948853306.db2.gz BCHNSLLVEUTLFG-QMMMGPOBSA-N 0 1 391.823 0.975 20 0 GCADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918991 948865503 /nfs/dbraw/zinc/86/55/03/948865503.db2.gz SWVDSDZXTFMZPF-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918991 948865526 /nfs/dbraw/zinc/86/55/26/948865526.db2.gz SWVDSDZXTFMZPF-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN CC(C)c1nc(CN2CCC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001574425310 948872542 /nfs/dbraw/zinc/87/25/42/948872542.db2.gz CINHIJLYHURFPO-LBPRGKRZSA-N 0 1 384.448 0.831 20 0 GCADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574919246 948873175 /nfs/dbraw/zinc/87/31/75/948873175.db2.gz XFWVGZYCXJCDKD-CQSZACIVSA-N 0 1 387.492 0.509 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573763451 948873522 /nfs/dbraw/zinc/87/35/22/948873522.db2.gz FNHPWZOCWPSQMA-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573763451 948873536 /nfs/dbraw/zinc/87/35/36/948873536.db2.gz FNHPWZOCWPSQMA-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CCc1nc[nH]n1 ZINC001574684604 948876388 /nfs/dbraw/zinc/87/63/88/948876388.db2.gz ISNOOELIBBYDQF-SECBINFHSA-N 0 1 390.839 0.973 20 0 GCADMN CC(C)c1nc([C@@H](CO)NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cs1 ZINC001574425486 948877281 /nfs/dbraw/zinc/87/72/81/948877281.db2.gz GBEMPWZJETZHSY-DTWKUNHWSA-N 0 1 377.434 0.449 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)CCCC(N)=O ZINC001574684668 948878271 /nfs/dbraw/zinc/87/82/71/948878271.db2.gz KLACOPQIVDATFJ-SSDOTTSWSA-N 0 1 386.869 0.939 20 0 GCADMN CC(C)c1nc(CN2CC[C@](C)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574425802 948884545 /nfs/dbraw/zinc/88/45/45/948884545.db2.gz NTHLIEWRIBFBDL-KRWDZBQOSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001573764297 948886225 /nfs/dbraw/zinc/88/62/25/948886225.db2.gz LWOJHGKJPGLDJG-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573764297 948886239 /nfs/dbraw/zinc/88/62/39/948886239.db2.gz LWOJHGKJPGLDJG-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnn(C)n1 ZINC001574684802 948889364 /nfs/dbraw/zinc/88/93/64/948889364.db2.gz MWPCUFIDFZCQPO-LURJTMIESA-N 0 1 382.841 0.726 20 0 GCADMN CC(C)c1ncc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)s1 ZINC001574427181 948900829 /nfs/dbraw/zinc/90/08/29/948900829.db2.gz BDBIPDPZPVMYHB-JTQLQIEISA-N 0 1 388.457 0.466 20 0 GCADMN CC(C)(C(=O)N1CCC(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[NH+]1CCCC1 ZINC001573765250 948903433 /nfs/dbraw/zinc/90/34/33/948903433.db2.gz XOYWYTZEVVAILS-UHFFFAOYSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](CNC(=O)CCc1nccn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920618 948907371 /nfs/dbraw/zinc/90/73/71/948907371.db2.gz NBQBRTSXHUOBER-GFCCVEGCSA-N 0 1 386.435 0.966 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCC1 ZINC001573765390 948908928 /nfs/dbraw/zinc/90/89/28/948908928.db2.gz BMWOQRUEPWBJON-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](CNC(=O)CCc1nc[nH]n1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574921356 948920422 /nfs/dbraw/zinc/92/04/22/948920422.db2.gz VMGAFHZKZQZWTN-VIFPVBQESA-N 0 1 390.839 0.607 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)n1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921390 948920791 /nfs/dbraw/zinc/92/07/91/948920791.db2.gz WCQYTABVHRZYIE-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)n1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921390 948920801 /nfs/dbraw/zinc/92/08/01/948920801.db2.gz WCQYTABVHRZYIE-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573771323 948938285 /nfs/dbraw/zinc/93/82/85/948938285.db2.gz GHPPHWQPJJGHDE-NSHDSACASA-N 0 1 382.432 0.443 20 0 GCADMN CC(C)c1ncsc1C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574432819 948942801 /nfs/dbraw/zinc/94/28/01/948942801.db2.gz DVBLWXRRDVZXIE-JTQLQIEISA-N 0 1 388.457 0.466 20 0 GCADMN C[C@@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccncc1-c1nn[nH]n1 ZINC001574923359 948944551 /nfs/dbraw/zinc/94/45/51/948944551.db2.gz KRFAQFODDZRVLD-LLVKDONJSA-N 0 1 389.851 0.788 20 0 GCADMN CC(F)(F)CCC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575237279 948945403 /nfs/dbraw/zinc/94/54/03/948945403.db2.gz DJUYRVDFHXEKHV-HNNXBMFYSA-N 0 1 382.375 0.150 20 0 GCADMN CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573771718 948946633 /nfs/dbraw/zinc/94/66/33/948946633.db2.gz LVLZVOCSCVQPEG-NSHDSACASA-N 0 1 382.432 0.086 20 0 GCADMN C[C@H](CNC(=O)CCn1ccccc1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574923512 948951684 /nfs/dbraw/zinc/95/16/84/948951684.db2.gz OPQCWBBBQFHYDW-ZDUSSCGKSA-N 0 1 382.428 0.100 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574433363 948952524 /nfs/dbraw/zinc/95/25/24/948952524.db2.gz WGTKNBZWXKQAIK-JYAVWHMHSA-N 0 1 392.427 0.435 20 0 GCADMN CC(C)[C@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089489 948955740 /nfs/dbraw/zinc/95/57/40/948955740.db2.gz HUEISKDCXLZJEM-KGLIPLIRSA-N 0 1 385.476 0.187 20 0 GCADMN CC(C)[C@H]1C[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089493 948957191 /nfs/dbraw/zinc/95/71/91/948957191.db2.gz HUEISKDCXLZJEM-ZIAGYGMSSA-N 0 1 385.476 0.187 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCC1 ZINC001573772344 948958412 /nfs/dbraw/zinc/95/84/12/948958412.db2.gz AJJRPYDQEBUSSG-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573772344 948958420 /nfs/dbraw/zinc/95/84/20/948958420.db2.gz AJJRPYDQEBUSSG-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433595 948958876 /nfs/dbraw/zinc/95/88/76/948958876.db2.gz XVRIAUSGLRRJFS-WDEREUQCSA-N 0 1 382.432 0.611 20 0 GCADMN CC(F)(F)CCC(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001575239850 948964277 /nfs/dbraw/zinc/96/42/77/948964277.db2.gz WJKCPOJFSYIABA-KGLIPLIRSA-N 0 1 380.399 0.963 20 0 GCADMN CC(C)c1ncsc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433932 948969817 /nfs/dbraw/zinc/96/98/17/948969817.db2.gz WQHUVFFMFJEALO-JTQLQIEISA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CNC(=O)CCn1cc(Cl)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574924285 948970515 /nfs/dbraw/zinc/97/05/15/948970515.db2.gz YSMBAWUXGYAAKW-SNVBAGLBSA-N 0 1 375.824 0.540 20 0 GCADMN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574924306 948971267 /nfs/dbraw/zinc/97/12/67/948971267.db2.gz ZGICUEWKMMWNQW-LLVKDONJSA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCC1 ZINC001573773302 948978664 /nfs/dbraw/zinc/97/86/64/948978664.db2.gz JVNGHJSPRMGSAT-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001573773302 948978677 /nfs/dbraw/zinc/97/86/77/948978677.db2.gz JVNGHJSPRMGSAT-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C(F)F ZINC001573773371 948982337 /nfs/dbraw/zinc/98/23/37/948982337.db2.gz LUEVRAYQGVMBGT-IUCAKERBSA-N 0 1 382.375 0.004 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C(F)F ZINC001573773373 948982369 /nfs/dbraw/zinc/98/23/69/948982369.db2.gz LUEVRAYQGVMBGT-RKDXNWHRSA-N 0 1 382.375 0.004 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574926053 948985473 /nfs/dbraw/zinc/98/54/73/948985473.db2.gz HDJRWFWQBQUAIQ-ZDUSSCGKSA-N 0 1 386.460 0.393 20 0 GCADMN CC(C)c1nnc(CNC[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001574434972 948989164 /nfs/dbraw/zinc/98/91/64/948989164.db2.gz NRIJKXWJPWVCAM-LLVKDONJSA-N 0 1 385.432 0.953 20 0 GCADMN C[C@@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575243123 948990350 /nfs/dbraw/zinc/99/03/50/948990350.db2.gz NJLNTHPZJLMRBK-TZMCWYRMSA-N 0 1 379.440 0.842 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926189 948991390 /nfs/dbraw/zinc/99/13/90/948991390.db2.gz KFJBRAQWGILMJQ-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926189 948991397 /nfs/dbraw/zinc/99/13/97/948991397.db2.gz KFJBRAQWGILMJQ-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573773971 948993296 /nfs/dbraw/zinc/99/32/96/948993296.db2.gz HGJFQFQVRPPLBI-SECBINFHSA-N 0 1 384.366 0.974 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)[NH+]1CCCC1 ZINC001573773732 948994469 /nfs/dbraw/zinc/99/44/69/948994469.db2.gz GABLWTLQKLNLEG-ZDUSSCGKSA-N 0 1 385.476 0.260 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCCC1 ZINC001573774011 948998037 /nfs/dbraw/zinc/99/80/37/948998037.db2.gz IBDUOFPNZVAYLI-UHFFFAOYSA-N 0 1 385.476 0.404 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573774094 948999927 /nfs/dbraw/zinc/99/99/27/948999927.db2.gz QGGRQQAPYZKCKN-ZDUSSCGKSA-N 0 1 379.428 0.724 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573774092 949000239 /nfs/dbraw/zinc/00/02/39/949000239.db2.gz QGGRQQAPYZKCKN-CYBMUJFWSA-N 0 1 379.428 0.724 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575501398 949013470 /nfs/dbraw/zinc/01/34/70/949013470.db2.gz HMDQOARYYSOWLX-NWDGAFQWSA-N 0 1 383.416 0.200 20 0 GCADMN CC(C)c1noc(CCC(=O)N(C)CCNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574439837 949018103 /nfs/dbraw/zinc/01/81/03/949018103.db2.gz JTMWETGZTTVOKO-UHFFFAOYSA-N 0 1 386.420 0.088 20 0 GCADMN CC(C)c1noc(CNC[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574440143 949021212 /nfs/dbraw/zinc/02/12/12/949021212.db2.gz OSBBITADFGOHJK-LLVKDONJSA-N 0 1 385.432 0.953 20 0 GCADMN CC(C)(C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573779000 949048322 /nfs/dbraw/zinc/04/83/22/949048322.db2.gz BYLKGJLTPCZYGU-OAHLLOKOSA-N 0 1 382.375 0.005 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573779244 949052548 /nfs/dbraw/zinc/05/25/48/949052548.db2.gz DVZODPZYBBGSFC-ZDUSSCGKSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574927940 949055136 /nfs/dbraw/zinc/05/51/36/949055136.db2.gz MOEZMKGKYRMXPC-NSHDSACASA-N 0 1 391.451 0.762 20 0 GCADMN CC(C)[C@H]1C[C@H](CC(=O)N(C)CCNc2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574092320 949058735 /nfs/dbraw/zinc/05/87/35/949058735.db2.gz NUBPZQJPHOCWFG-ZIAGYGMSSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574928298 949059317 /nfs/dbraw/zinc/05/93/17/949059317.db2.gz ONOGQUKUWHOONW-LBPRGKRZSA-N 0 1 386.460 0.297 20 0 GCADMN C[C@@H](CNC(=O)CN1CCc2ccccc21)CNc1ccncc1-c1nn[nH]n1 ZINC001574929120 949076185 /nfs/dbraw/zinc/07/61/85/949076185.db2.gz YQBNTFOMVVIACV-CQSZACIVSA-N 0 1 392.467 0.911 20 0 GCADMN C[C@@H](CCS(C)(=O)=O)NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574694705 949090076 /nfs/dbraw/zinc/09/00/76/949090076.db2.gz UVZADXJFQCHFGI-YFKPBYRVSA-N 0 1 379.855 0.921 20 0 GCADMN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575249674 949103303 /nfs/dbraw/zinc/10/33/03/949103303.db2.gz ZYLSZCPCQIZELN-RYUDHWBXSA-N 0 1 386.460 0.247 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575249675 949105778 /nfs/dbraw/zinc/10/57/78/949105778.db2.gz ZYLSZCPCQIZELN-VXGBXAGGSA-N 0 1 386.460 0.247 20 0 GCADMN CC(C)(C(=O)NCCN(c1cnc(-c2nn[n-]n2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573781741 949111090 /nfs/dbraw/zinc/11/10/90/949111090.db2.gz MWDVYJOQPYPCGX-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574931106 949115512 /nfs/dbraw/zinc/11/55/12/949115512.db2.gz NLSJWLHSGXFTSY-STQMWFEESA-N 0 1 375.433 0.398 20 0 GCADMN CC(C)(C(=O)NCCN(c1nccnc1-c1nnn[n-]1)C1CC1)[NH+]1CCCC1 ZINC001573782704 949128321 /nfs/dbraw/zinc/12/83/21/949128321.db2.gz VHXSIZAMLVACMO-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NCCN(c1nccnc1-c1nn[n-]n1)C1CC1)[NH+]1CCCC1 ZINC001573782704 949128332 /nfs/dbraw/zinc/12/83/32/949128332.db2.gz VHXSIZAMLVACMO-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCC1 ZINC001573782756 949131813 /nfs/dbraw/zinc/13/18/13/949131813.db2.gz XSUGFFPWVNEVBZ-ZDUSSCGKSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574934033 949147206 /nfs/dbraw/zinc/14/72/06/949147206.db2.gz ASNCFSPBVREYFM-SECBINFHSA-N 0 1 390.354 0.352 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575251968 949152884 /nfs/dbraw/zinc/15/28/84/949152884.db2.gz DCOYACQCOPQEHU-CHWSQXEVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575251968 949152897 /nfs/dbraw/zinc/15/28/97/949152897.db2.gz DCOYACQCOPQEHU-CHWSQXEVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574697553 949156616 /nfs/dbraw/zinc/15/66/16/949156616.db2.gz AYUKWEGOLMUDIZ-BQBZGAKWSA-N 0 1 386.869 0.747 20 0 GCADMN 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C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC1=O ZINC001575538835 949532590 /nfs/dbraw/zinc/53/25/90/949532590.db2.gz JQPJHAKKIPMCIB-PIGZYNQJSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC1=O ZINC001575538835 949532601 /nfs/dbraw/zinc/53/26/01/949532601.db2.gz JQPJHAKKIPMCIB-PIGZYNQJSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574471900 949540641 /nfs/dbraw/zinc/54/06/41/949540641.db2.gz OVEYMQLVVIMPDP-PNESKVBLSA-N 0 1 382.432 0.328 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711489 949541999 /nfs/dbraw/zinc/54/19/99/949541999.db2.gz HTIGXQWSGMTNGN-YPMHNXCESA-N 0 1 380.412 0.514 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711633 949545667 /nfs/dbraw/zinc/54/56/67/949545667.db2.gz JQOBCVMMKTVXTM-QMTHXVAHSA-N 0 1 382.403 0.816 20 0 GCADMN CC(C)n1ncnc1CNC[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574472332 949545943 /nfs/dbraw/zinc/54/59/43/949545943.db2.gz SMGPZGJIIQJYGT-LBPRGKRZSA-N 0 1 384.448 0.619 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575539401 949548452 /nfs/dbraw/zinc/54/84/52/949548452.db2.gz PQPNFTVTEXGUPA-XIKOKIGWSA-N 0 1 384.444 0.003 20 0 GCADMN CC(C)n1ncnc1CNC1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574472187 949549201 /nfs/dbraw/zinc/54/92/01/949549201.db2.gz RHPJADAECGSWPN-UHFFFAOYSA-N 0 1 384.448 0.762 20 0 GCADMN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872841 949557124 /nfs/dbraw/zinc/55/71/24/949557124.db2.gz LPDHSPRWCMPKOG-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574124072 949560469 /nfs/dbraw/zinc/56/04/69/949560469.db2.gz APBWKNKYUXDORI-OLZOCXBDSA-N 0 1 386.460 0.234 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164941 949563388 /nfs/dbraw/zinc/56/33/88/949563388.db2.gz INYUKIJRJGFHCK-OCCSQVGLSA-N 0 1 384.444 0.464 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574711974 949563933 /nfs/dbraw/zinc/56/39/33/949563933.db2.gz OUZMOEBYPKCCSJ-ZDUSSCGKSA-N 0 1 387.492 0.458 20 0 GCADMN C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576165360 949567555 /nfs/dbraw/zinc/56/75/55/949567555.db2.gz JXEROZMTZKCQOT-AAVRWANBSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574712377 949575693 /nfs/dbraw/zinc/57/56/93/949575693.db2.gz ROXHMFSXHBQQNF-MNOVXSKESA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574712377 949575712 /nfs/dbraw/zinc/57/57/12/949575712.db2.gz ROXHMFSXHBQQNF-MNOVXSKESA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](NC(=O)CCNC(N)=O)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575270151 949578323 /nfs/dbraw/zinc/57/83/23/949578323.db2.gz BLZGEDCWYGGXJF-SNVBAGLBSA-N 0 1 390.423 0.001 20 0 GCADMN C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575270342 949584771 /nfs/dbraw/zinc/58/47/71/949584771.db2.gz CHXPSWYUJCVDSW-JTQLQIEISA-N 0 1 377.474 0.520 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574712739 949590078 /nfs/dbraw/zinc/59/00/78/949590078.db2.gz UCHAMLSPQGQKSV-OLZOCXBDSA-N 0 1 381.444 0.402 20 0 GCADMN CC(C)C[C@@H](C(=O)N[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125562 949593361 /nfs/dbraw/zinc/59/33/61/949593361.db2.gz STVVWVRHLNOBJH-STQMWFEESA-N 0 1 384.448 0.479 20 0 GCADMN C[C@H](CC(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(N)=O ZINC001574476458 949602183 /nfs/dbraw/zinc/60/21/83/949602183.db2.gz CUJCEBLSEWYFQO-ZCFIWIBFSA-N 0 1 387.857 0.294 20 0 GCADMN CC(C)(C)[C@@H](CNCc1cnns1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811575 949604046 /nfs/dbraw/zinc/60/40/46/949604046.db2.gz LZNZDAAATQGFDA-GFCCVEGCSA-N 0 1 375.462 0.981 20 0 GCADMN C[C@@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575270930 949604320 /nfs/dbraw/zinc/60/43/20/949604320.db2.gz HOEHDPBDKTZZRE-NEPJUHHUSA-N 0 1 387.448 0.041 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270907 949607110 /nfs/dbraw/zinc/60/71/10/949607110.db2.gz HBYLLXAEORVCDG-ZIAGYGMSSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270907 949607119 /nfs/dbraw/zinc/60/71/19/949607119.db2.gz HBYLLXAEORVCDG-ZIAGYGMSSA-N 0 1 387.492 0.720 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1c[nH]nn1 ZINC001573811785 949608744 /nfs/dbraw/zinc/60/87/44/949608744.db2.gz NKSJPGHLDCRTFA-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1cnn[nH]1 ZINC001573811785 949608758 /nfs/dbraw/zinc/60/87/58/949608758.db2.gz NKSJPGHLDCRTFA-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575271080 949609720 /nfs/dbraw/zinc/60/97/20/949609720.db2.gz IBDSYIDXTNFEAC-RYUDHWBXSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H](C)c1ccncc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574713717 949609685 /nfs/dbraw/zinc/60/96/85/949609685.db2.gz BOCWWHNJLMGFPM-CHWSQXEVSA-N 0 1 381.444 0.926 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874319 949610172 /nfs/dbraw/zinc/61/01/72/949610172.db2.gz FXNNJZNWOVNYAF-SMDDNHRTSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2cnn[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874319 949610186 /nfs/dbraw/zinc/61/01/86/949610186.db2.gz FXNNJZNWOVNYAF-SMDDNHRTSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCNC1=O ZINC001575546830 949612068 /nfs/dbraw/zinc/61/20/68/949612068.db2.gz SALQLWPLBQTXPF-APPDUMDISA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCNC1=O ZINC001575546830 949612080 /nfs/dbraw/zinc/61/20/80/949612080.db2.gz SALQLWPLBQTXPF-APPDUMDISA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001575874767 949617729 /nfs/dbraw/zinc/61/77/29/949617729.db2.gz GQEGFJQUEPNNHE-YPMHNXCESA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccsc2-c2nn[nH]n2)C1 ZINC001576167964 949622591 /nfs/dbraw/zinc/62/25/91/949622591.db2.gz ATXVDAVQSYBRBQ-JTQLQIEISA-N 0 1 384.487 0.855 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575875209 949629378 /nfs/dbraw/zinc/62/93/78/949629378.db2.gz VLHZKOYHOBTJDW-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001574129323 949640937 /nfs/dbraw/zinc/64/09/37/949640937.db2.gz TYDSKMWAVIEJRO-STQMWFEESA-N 0 1 388.476 0.785 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCNC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715067 949643889 /nfs/dbraw/zinc/64/38/89/949643889.db2.gz AKIHXWMUWKTUBC-AAEUAGOBSA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CCc1c[nH]nn1 ZINC001573815519 949651220 /nfs/dbraw/zinc/65/12/20/949651220.db2.gz IETRETOYTQVHPA-LBPRGKRZSA-N 0 1 385.436 0.350 20 0 GCADMN C[C@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574477341 949652080 /nfs/dbraw/zinc/65/20/80/949652080.db2.gz QKCKTDGNLGMNJG-CYBMUJFWSA-N 0 1 384.448 0.789 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575876823 949652045 /nfs/dbraw/zinc/65/20/45/949652045.db2.gz YPFSIJZSHFHBCW-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575876823 949652058 /nfs/dbraw/zinc/65/20/58/949652058.db2.gz YPFSIJZSHFHBCW-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccon1 ZINC001573815525 949652638 /nfs/dbraw/zinc/65/26/38/949652638.db2.gz IFNPNNSUGPTBHM-GFCCVEGCSA-N 0 1 385.432 0.642 20 0 GCADMN C[C@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575272985 949657287 /nfs/dbraw/zinc/65/72/87/949657287.db2.gz UFJSVDNWULEPNH-STQMWFEESA-N 0 1 381.444 0.802 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575273043 949659812 /nfs/dbraw/zinc/65/98/12/949659812.db2.gz UYIVQWMDQPWELK-KGLIPLIRSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575273043 949659829 /nfs/dbraw/zinc/65/98/29/949659829.db2.gz UYIVQWMDQPWELK-KGLIPLIRSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169116 949666464 /nfs/dbraw/zinc/66/64/64/949666464.db2.gz FJZREXCKTQSDCO-UONOGXRCSA-N 0 1 387.492 0.459 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001573816130 949672477 /nfs/dbraw/zinc/67/24/77/949672477.db2.gz OOMMJQPIEOMCRK-QWHCGFSZSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169238 949673342 /nfs/dbraw/zinc/67/33/42/949673342.db2.gz FVEPUAGNPQCDAC-ZFWWWQNUSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169360 949675226 /nfs/dbraw/zinc/67/52/26/949675226.db2.gz HBGUUTUEMSZUOY-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN CC1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CC(F)(F)C1 ZINC001575552802 949683814 /nfs/dbraw/zinc/68/38/14/949683814.db2.gz JIYFQVCNCYLWHX-PHIMTYICSA-N 0 1 390.398 0.987 20 0 GCADMN C[C@@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576169577 949684802 /nfs/dbraw/zinc/68/48/02/949684802.db2.gz YUXTXVIDORTZHM-STQMWFEESA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccncc1-c1nn[nH]n1 ZINC001574958774 949694546 /nfs/dbraw/zinc/69/45/46/949694546.db2.gz WIPFWSHBLZPBSN-MNOVXSKESA-N 0 1 384.400 0.012 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCNC1=O ZINC001573817701 949703992 /nfs/dbraw/zinc/70/39/92/949703992.db2.gz AIVSCCMJPIBYML-BXUZGUMPSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575880906 949706615 /nfs/dbraw/zinc/70/66/15/949706615.db2.gz VSISYDGIOXGWGR-GXTWGEPZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575880906 949706628 /nfs/dbraw/zinc/70/66/28/949706628.db2.gz VSISYDGIOXGWGR-GXTWGEPZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCOc1ccccc1 ZINC001575276129 949710419 /nfs/dbraw/zinc/71/04/19/949710419.db2.gz GTXFSMAJBHRQPV-OLZOCXBDSA-N 0 1 382.428 0.853 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716935 949716491 /nfs/dbraw/zinc/71/64/91/949716491.db2.gz RYSJYRUGZPOKIS-WDEREUQCSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170497 949717982 /nfs/dbraw/zinc/71/79/82/949717982.db2.gz LJHVIPLRXQCNFK-TZMCWYRMSA-N 0 1 382.428 0.953 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573818161 949722660 /nfs/dbraw/zinc/72/26/60/949722660.db2.gz HHZWENUDNNHBIV-ACJLOTCBSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CCOC1CCOCC1 ZINC001575276767 949731823 /nfs/dbraw/zinc/73/18/23/949731823.db2.gz LBBDTUFVVIKOOT-OLZOCXBDSA-N 0 1 389.460 0.574 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N(C)c1ncc(-c2nn[nH]n2)cc1F ZINC001574961032 949736186 /nfs/dbraw/zinc/73/61/86/949736186.db2.gz ZTHHBZXHYJAIHV-YUSALJHKSA-N 0 1 385.407 0.869 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574962926 949744512 /nfs/dbraw/zinc/74/45/12/949744512.db2.gz FOLUBSZSJJCLJR-QMTHXVAHSA-N 0 1 375.408 0.269 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@]3(C)C2)CCOC1 ZINC001575559041 949747171 /nfs/dbraw/zinc/74/71/71/949747171.db2.gz UCCBDQDAPRTSMN-PJSAGSTRSA-N 0 1 384.444 0.368 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575882002 949749603 /nfs/dbraw/zinc/74/96/03/949749603.db2.gz FDPCXIKONPRSTA-PWSUYJOCSA-N 0 1 385.407 0.840 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CCN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)CCOC1 ZINC001575559213 949751578 /nfs/dbraw/zinc/75/15/78/949751578.db2.gz VFTITFITBYWTNJ-TYILLQQXSA-N 0 1 383.456 0.973 20 0 GCADMN C[C@H](CN(C)C(=O)CC[C@]1(C)CCC(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717875 949751996 /nfs/dbraw/zinc/75/19/96/949751996.db2.gz RAPXVSQAMADUIU-XIKOKIGWSA-N 0 1 386.460 0.391 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574480505 949752920 /nfs/dbraw/zinc/75/29/20/949752920.db2.gz JHUQCJFFITWHRV-ZJUUUORDSA-N 0 1 384.366 0.928 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573819349 949754800 /nfs/dbraw/zinc/75/48/00/949754800.db2.gz UCXICUUSDZPAKM-BXUZGUMPSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cncc(F)c1 ZINC001573819358 949755647 /nfs/dbraw/zinc/75/56/47/949755647.db2.gz UGTCAEALZJESMS-GFCCVEGCSA-N 0 1 385.407 0.869 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573820308 949763061 /nfs/dbraw/zinc/76/30/61/949763061.db2.gz XFTYUZPHABUJCO-SMDDNHRTSA-N 0 1 386.460 0.153 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573820305 949765132 /nfs/dbraw/zinc/76/51/32/949765132.db2.gz XFTYUZPHABUJCO-BXUZGUMPSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CNCc1ccn(C)n1 ZINC001576171482 949768733 /nfs/dbraw/zinc/76/87/33/949768733.db2.gz RDLHGZHHCJTLEZ-MLGOLLRUSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@]1(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[nH]n4)n2)C3)CCOC1 ZINC001575559751 949769085 /nfs/dbraw/zinc/76/90/85/949769085.db2.gz FUBQULWAJMRELF-OBQNUFEDSA-N 0 1 384.444 0.345 20 0 GCADMN C[C@@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882299 949769021 /nfs/dbraw/zinc/76/90/21/949769021.db2.gz ILMQHANWZOLQCO-ZYHUDNBSSA-N 0 1 385.457 0.829 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574481513 949782937 /nfs/dbraw/zinc/78/29/37/949782937.db2.gz QPSJCACOTBDDPZ-ZIAGYGMSSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574481510 949783875 /nfs/dbraw/zinc/78/38/75/949783875.db2.gz QPSJCACOTBDDPZ-KBPBESRZSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CCOC1 ZINC001575560572 949792088 /nfs/dbraw/zinc/79/20/88/949792088.db2.gz SDUDLYNSUTXCAI-YVEFUNNKSA-N 0 1 384.444 0.558 20 0 GCADMN C[C@H](CN(C)C(=O)CCNC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574720573 949796790 /nfs/dbraw/zinc/79/67/90/949796790.db2.gz CVWAXQJMXVLSRM-ZCFIWIBFSA-N 0 1 387.857 0.294 20 0 GCADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1CCNCc1cnon1 ZINC001576172135 949797858 /nfs/dbraw/zinc/79/78/58/949797858.db2.gz VOELMSHNQSKWPV-XHDPSFHLSA-N 0 1 385.432 0.998 20 0 GCADMN C[C@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720630 949799241 /nfs/dbraw/zinc/79/92/41/949799241.db2.gz DYKOWHMZIUGDEL-CYBMUJFWSA-N 0 1 382.428 0.807 20 0 GCADMN C[C@@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1ccncc1-c1nn[nH]n1 ZINC001574965636 949806521 /nfs/dbraw/zinc/80/65/21/949806521.db2.gz IKQBNXNOLZOVFA-LLVKDONJSA-N 0 1 381.444 0.773 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001574481975 949813904 /nfs/dbraw/zinc/81/39/04/949813904.db2.gz YHBVRKMVSXVYTD-YJYMSZOUSA-N 0 1 385.472 0.885 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001574481972 949815506 /nfs/dbraw/zinc/81/55/06/949815506.db2.gz YHBVRKMVSXVYTD-BFUOFWGJSA-N 0 1 385.472 0.885 20 0 GCADMN C[C@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574965902 949822379 /nfs/dbraw/zinc/82/23/79/949822379.db2.gz OIVBUGFIJHIKJR-SSDOTTSWSA-N 0 1 388.823 0.563 20 0 GCADMN C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172918 949825138 /nfs/dbraw/zinc/82/51/38/949825138.db2.gz ZMXWYBZMXGIXGB-DZGCQCFKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](NC(=O)CN1CCCC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575282449 949836343 /nfs/dbraw/zinc/83/63/43/949836343.db2.gz BOGPOFKEFXOJAD-STQMWFEESA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575282963 949849923 /nfs/dbraw/zinc/84/99/23/949849923.db2.gz CXDFEFTZHLIWCH-QWHCGFSZSA-N 0 1 381.444 0.520 20 0 GCADMN C[C@]1(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCCOC1 ZINC001575564027 949851432 /nfs/dbraw/zinc/85/14/32/949851432.db2.gz NVFDCLYGTRNMGS-KJBLDROHSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283056 949854336 /nfs/dbraw/zinc/85/43/36/949854336.db2.gz NBIPNNAJSZXXOY-WCQYABFASA-N 0 1 392.485 0.670 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177757 949854745 /nfs/dbraw/zinc/85/47/45/949854745.db2.gz BIIBRLZZTFOLQU-RYUDHWBXSA-N 0 1 380.416 0.221 20 0 GCADMN C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283054 949857186 /nfs/dbraw/zinc/85/71/86/949857186.db2.gz NBIPNNAJSZXXOY-DGCLKSJQSA-N 0 1 392.485 0.670 20 0 GCADMN C[C@H](NC(=O)CN1CC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)C1CC1 ZINC001575283249 949859134 /nfs/dbraw/zinc/85/91/34/949859134.db2.gz DSPGAXJOJOSYPY-RYUDHWBXSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575283152 949862544 /nfs/dbraw/zinc/86/25/44/949862544.db2.gz NYYNCDKLMMIDKU-GXTWGEPZSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574484201 949866394 /nfs/dbraw/zinc/86/63/94/949866394.db2.gz FHZRPWKDEBABNX-CHWSQXEVSA-N 0 1 382.432 0.329 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575283314 949866682 /nfs/dbraw/zinc/86/66/82/949866682.db2.gz FFZGMGBVKJOFAN-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283314 949866720 /nfs/dbraw/zinc/86/67/20/949866720.db2.gz FFZGMGBVKJOFAN-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283314 949866733 /nfs/dbraw/zinc/86/67/33/949866733.db2.gz FFZGMGBVKJOFAN-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283314 949866757 /nfs/dbraw/zinc/86/67/57/949866757.db2.gz FFZGMGBVKJOFAN-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283314 949866784 /nfs/dbraw/zinc/86/67/84/949866784.db2.gz FFZGMGBVKJOFAN-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3ccncc3-c3nn[nH]n3)(C1)C2 ZINC001573825321 949873581 /nfs/dbraw/zinc/87/35/81/949873581.db2.gz RPQQNBXHCZQPAR-RMEHTXHKSA-N 0 1 385.472 0.789 20 0 GCADMN C[C@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574724679 949877590 /nfs/dbraw/zinc/87/75/90/949877590.db2.gz JCVJODXPUAXUNH-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574724679 949877612 /nfs/dbraw/zinc/87/76/12/949877612.db2.gz JCVJODXPUAXUNH-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574724884 949882285 /nfs/dbraw/zinc/88/22/85/949882285.db2.gz LAVLYJZGJWTRQD-NSHDSACASA-N 0 1 389.851 0.883 20 0 GCADMN C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575283654 949882269 /nfs/dbraw/zinc/88/22/69/949882269.db2.gz GPQYYSHYOARBRZ-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](NC(=O)CN1CCC(C)(C)C1)[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575283772 949884474 /nfs/dbraw/zinc/88/44/74/949884474.db2.gz HNMYALHFCPEADX-RYUDHWBXSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725326 949900837 /nfs/dbraw/zinc/90/08/37/949900837.db2.gz RVIPDHMNYAOPLB-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725326 949900848 /nfs/dbraw/zinc/90/08/48/949900848.db2.gz RVIPDHMNYAOPLB-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179033 949907422 /nfs/dbraw/zinc/90/74/22/949907422.db2.gz DLIYXBNASRCKMM-BLLLJJGKSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCNC(=O)C1 ZINC001575569155 949914062 /nfs/dbraw/zinc/91/40/62/949914062.db2.gz GWNABNBPFPUKDK-KXBFYZLASA-N 0 1 383.456 0.474 20 0 GCADMN CC(C)C[C@@H](CNC(=O)[C@H]1CCCN1C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574144549 949914924 /nfs/dbraw/zinc/91/49/24/949914924.db2.gz OVAAMRHZULSFEY-DZGCQCFKSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](CN(C)C(=O)COCc1ccncc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574725904 949915405 /nfs/dbraw/zinc/91/54/05/949915405.db2.gz DEWSODFMCSWCCG-CYBMUJFWSA-N 0 1 382.428 0.554 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179431 949917495 /nfs/dbraw/zinc/91/74/95/949917495.db2.gz FXFZALKYEOGQFW-LRDDRELGSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](CN(C)C(=O)CCc1nc[nH]n1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574726041 949922677 /nfs/dbraw/zinc/92/26/77/949922677.db2.gz WXVCWMKTFSZYCS-VIFPVBQESA-N 0 1 390.839 0.925 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cnn[nH]2)CCCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575889423 949925922 /nfs/dbraw/zinc/92/59/22/949925922.db2.gz RXFCBLFEXJUSGN-LDYMZIIASA-N 0 1 388.823 0.821 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575889088 949926530 /nfs/dbraw/zinc/92/65/30/949926530.db2.gz RSRICGUDCSOOFE-GXFFZTMASA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574488072 949940253 /nfs/dbraw/zinc/94/02/53/949940253.db2.gz DBJYVHUNYKFJLO-TZMCWYRMSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574488085 949940885 /nfs/dbraw/zinc/94/08/85/949940885.db2.gz DHOLOMMTRILTKA-FRRDWIJNSA-N 0 1 382.432 0.185 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575890115 949942694 /nfs/dbraw/zinc/94/26/94/949942694.db2.gz VMDGYPAWSNKUSV-GWCFXTLKSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574726941 949951163 /nfs/dbraw/zinc/95/11/63/949951163.db2.gz MVXODPQVYHPGTR-NSHDSACASA-N 0 1 392.489 0.280 20 0 GCADMN C[C@@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574726941 949951177 /nfs/dbraw/zinc/95/11/77/949951177.db2.gz MVXODPQVYHPGTR-NSHDSACASA-N 0 1 392.489 0.280 20 0 GCADMN CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001575572102 949967598 /nfs/dbraw/zinc/96/75/98/949967598.db2.gz DKQAYJIMBPGWLR-LLVKDONJSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286382 949977728 /nfs/dbraw/zinc/97/77/28/949977728.db2.gz VUIZSMNGFQNSNH-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286382 949977742 /nfs/dbraw/zinc/97/77/42/949977742.db2.gz VUIZSMNGFQNSNH-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001574490558 950003113 /nfs/dbraw/zinc/00/31/13/950003113.db2.gz VBOISEODHRXNKR-NWDGAFQWSA-N 0 1 386.460 0.250 20 0 GCADMN CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC(F)(F)C1 ZINC001575574113 950011688 /nfs/dbraw/zinc/01/16/88/950011688.db2.gz SAESRUQOGADUAW-VIFPVBQESA-N 0 1 386.428 0.930 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181789 950015881 /nfs/dbraw/zinc/01/58/81/950015881.db2.gz MQJXVNGNCHWJDM-OCCSQVGLSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H](CN(C)C(=O)Cc1cc(C2CC2)no1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574729603 950023584 /nfs/dbraw/zinc/02/35/84/950023584.db2.gz OXNHMHDEZNHDPJ-SNVBAGLBSA-N 0 1 383.416 0.446 20 0 GCADMN C[C@H](CC(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)NC(N)=O ZINC001574491314 950030739 /nfs/dbraw/zinc/03/07/39/950030739.db2.gz CAQQLIRYRUOCAM-DOMZBBRYSA-N 0 1 386.460 0.394 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)[C@H]1CCN(C(C)(C)C)C1=O ZINC001574975641 950037049 /nfs/dbraw/zinc/03/70/49/950037049.db2.gz XWUUKFUCGDLHLU-FZMZJTMJSA-N 0 1 388.476 0.644 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnnn1C ZINC001574150880 950039646 /nfs/dbraw/zinc/03/96/46/950039646.db2.gz GAOIGMIOVWTHQW-LLVKDONJSA-N 0 1 389.489 0.991 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnnn1C ZINC001574150880 950039666 /nfs/dbraw/zinc/03/96/66/950039666.db2.gz GAOIGMIOVWTHQW-LLVKDONJSA-N 0 1 389.489 0.991 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182526 950062235 /nfs/dbraw/zinc/06/22/35/950062235.db2.gz MTRDCQQEOFOMPG-ZIAGYGMSSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182526 950062259 /nfs/dbraw/zinc/06/22/59/950062259.db2.gz MTRDCQQEOFOMPG-ZIAGYGMSSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182865 950067768 /nfs/dbraw/zinc/06/77/68/950067768.db2.gz NQMCVVSDZBKYOM-QWHCGFSZSA-N 0 1 382.428 0.811 20 0 GCADMN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCC(=O)NC1 ZINC001575576949 950075470 /nfs/dbraw/zinc/07/54/70/950075470.db2.gz UCMINGPWJMNODX-MRXNPFEDSA-N 0 1 389.485 0.583 20 0 GCADMN C[C@@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732885 950082643 /nfs/dbraw/zinc/08/26/43/950082643.db2.gz LTLYQYOFVXILKF-LBPRGKRZSA-N 0 1 387.469 0.727 20 0 GCADMN C[C@@H](CN(C)C(=O)Cn1ccccc1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732885 950082665 /nfs/dbraw/zinc/08/26/65/950082665.db2.gz LTLYQYOFVXILKF-LBPRGKRZSA-N 0 1 387.469 0.727 20 0 GCADMN C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001574492421 950084262 /nfs/dbraw/zinc/08/42/62/950084262.db2.gz AWEBJPLNQRNDHG-YPMHNXCESA-N 0 1 382.432 0.233 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574492470 950085466 /nfs/dbraw/zinc/08/54/66/950085466.db2.gz NDKDUJWCPJCKTR-QWRGUYRKSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183389 950086390 /nfs/dbraw/zinc/08/63/90/950086390.db2.gz RAFMEEUZHZHNRM-QWRGUYRKSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183453 950091977 /nfs/dbraw/zinc/09/19/77/950091977.db2.gz SCCWPWCRZKYZAE-MFKMUULPSA-N 0 1 385.407 0.899 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575894492 950101561 /nfs/dbraw/zinc/10/15/61/950101561.db2.gz DZZVWSGHHSVUJJ-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN CC(C)C[C@H](CNCc1cnns1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574152528 950107651 /nfs/dbraw/zinc/10/76/51/950107651.db2.gz FLHKBRLCHWEJHD-SNVBAGLBSA-N 0 1 375.462 0.981 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733432 950109655 /nfs/dbraw/zinc/10/96/55/950109655.db2.gz AVPMDNKTSRWTEA-KWCYVHTRSA-N 0 1 379.428 0.536 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733453 950112758 /nfs/dbraw/zinc/11/27/58/950112758.db2.gz BNXOFVOQEKVGJN-FPMFFAJLSA-N 0 1 379.428 0.536 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575895187 950113867 /nfs/dbraw/zinc/11/38/67/950113867.db2.gz HTXDPIDLJJUNJK-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184052 950115016 /nfs/dbraw/zinc/11/50/16/950115016.db2.gz VMHBCCQNIVEMBC-LRDDRELGSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184051 950116012 /nfs/dbraw/zinc/11/60/12/950116012.db2.gz VMHBCCQNIVEMBC-BLLLJJGKSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)Nc1ccccc1F ZINC001574977587 950122259 /nfs/dbraw/zinc/12/22/59/950122259.db2.gz MAADJNBMBRJRLG-JTQLQIEISA-N 0 1 386.391 0.681 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1occc1CN(C)C ZINC001574977751 950125439 /nfs/dbraw/zinc/12/54/39/950125439.db2.gz NOLYQGXDLIJFIA-JTQLQIEISA-N 0 1 386.416 0.398 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1occc1CN(C)C ZINC001574977754 950126882 /nfs/dbraw/zinc/12/68/82/950126882.db2.gz NOLYQGXDLIJFIA-SNVBAGLBSA-N 0 1 386.416 0.398 20 0 GCADMN NC(=O)COc1ccc(CNC(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000262455299 950128205 /nfs/dbraw/zinc/12/82/05/950128205.db2.gz FFCBXGFGSAAYLZ-XIRDDKMYSA-N 0 1 389.452 0.885 20 0 GCADMN CC(C)(C)CC(C)(C)C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573839324 950131466 /nfs/dbraw/zinc/13/14/66/950131466.db2.gz QMYARFSMAQBLFD-LLVKDONJSA-N 0 1 376.465 0.430 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574734416 950132125 /nfs/dbraw/zinc/13/21/25/950132125.db2.gz MAWVYLOHTWWHIK-HBNTYKKESA-N 0 1 383.416 0.298 20 0 GCADMN C[C@@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184461 950132819 /nfs/dbraw/zinc/13/28/19/950132819.db2.gz VTZKOSVWOVWUPW-TZMCWYRMSA-N 0 1 384.444 0.322 20 0 GCADMN C[C@@H]1CCN(C(=O)COCC2CC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184680 950136230 /nfs/dbraw/zinc/13/62/30/950136230.db2.gz WYFPYZJNXLHOCO-OCCSQVGLSA-N 0 1 386.460 0.402 20 0 GCADMN C[C@@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184681 950138386 /nfs/dbraw/zinc/13/83/86/950138386.db2.gz WYFPYZJNXLHOCO-TZMCWYRMSA-N 0 1 386.460 0.402 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576185004 950152481 /nfs/dbraw/zinc/15/24/81/950152481.db2.gz YJERWWIAVFCVFF-DGCLKSJQSA-N 0 1 382.432 0.165 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576185109 950157609 /nfs/dbraw/zinc/15/76/09/950157609.db2.gz ZXQWRJSNMXQEPY-ZIAGYGMSSA-N 0 1 387.492 0.315 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576185109 950157621 /nfs/dbraw/zinc/15/76/21/950157621.db2.gz ZXQWRJSNMXQEPY-ZIAGYGMSSA-N 0 1 387.492 0.315 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576185109 950157633 /nfs/dbraw/zinc/15/76/33/950157633.db2.gz ZXQWRJSNMXQEPY-ZIAGYGMSSA-N 0 1 387.492 0.315 20 0 GCADMN CC(C)C[C@H](CNCc1cnns1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574153982 950158211 /nfs/dbraw/zinc/15/82/11/950158211.db2.gz YXGAUQIOUGSRQD-LLVKDONJSA-N 0 1 375.462 0.981 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574982381 950164660 /nfs/dbraw/zinc/16/46/60/950164660.db2.gz BNHGJUKMGJBHLS-SNVBAGLBSA-N 0 1 384.448 0.577 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574154337 950170459 /nfs/dbraw/zinc/17/04/59/950170459.db2.gz DHUAPIVCDGBBSH-FZKQIMNGSA-N 0 1 388.476 0.573 20 0 GCADMN C[C@@]1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)CCNC(=O)C1 ZINC001575584610 950172383 /nfs/dbraw/zinc/17/23/83/950172383.db2.gz YQVWXQNIIQBROQ-QGZVFWFLSA-N 0 1 384.444 0.051 20 0 GCADMN C[C@]1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)CCNC(=O)C1 ZINC001575584609 950173507 /nfs/dbraw/zinc/17/35/07/950173507.db2.gz YQVWXQNIIQBROQ-KRWDZBQOSA-N 0 1 384.444 0.051 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574738589 950173809 /nfs/dbraw/zinc/17/38/09/950173809.db2.gz GXNWTSOGMZTSOF-MVWJERBFSA-N 0 1 383.416 0.298 20 0 GCADMN C[C@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190851 950176316 /nfs/dbraw/zinc/17/63/16/950176316.db2.gz CDRFHWMDLCIYJM-WDEREUQCSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899759 950179082 /nfs/dbraw/zinc/17/90/82/950179082.db2.gz YVDTZKYDPGTGIP-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574982749 950183358 /nfs/dbraw/zinc/18/33/58/950183358.db2.gz GGAWBRRGXGINNX-SECBINFHSA-N 0 1 386.391 0.341 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574155488 950192698 /nfs/dbraw/zinc/19/26/98/950192698.db2.gz MDQQLMMTLBOXGU-KBPBESRZSA-N 0 1 388.476 0.981 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001574155489 950193754 /nfs/dbraw/zinc/19/37/54/950193754.db2.gz MDQQLMMTLBOXGU-KGLIPLIRSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576191437 950196263 /nfs/dbraw/zinc/19/62/63/950196263.db2.gz GIHBZUBQATYZOE-ZDUSSCGKSA-N 0 1 387.492 0.317 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576191437 950196275 /nfs/dbraw/zinc/19/62/75/950196275.db2.gz GIHBZUBQATYZOE-ZDUSSCGKSA-N 0 1 387.492 0.317 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576191437 950196289 /nfs/dbraw/zinc/19/62/89/950196289.db2.gz GIHBZUBQATYZOE-ZDUSSCGKSA-N 0 1 387.492 0.317 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001574155697 950208400 /nfs/dbraw/zinc/20/84/00/950208400.db2.gz QJLYVSUXXBKCBE-ZIAGYGMSSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CNCc1cnn(C)n1 ZINC001576191794 950209362 /nfs/dbraw/zinc/20/93/62/950209362.db2.gz KHWVNJVLFJLHTF-YPMHNXCESA-N 0 1 384.448 0.211 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574155952 950217219 /nfs/dbraw/zinc/21/72/19/950217219.db2.gz SGVFOHCZSHBHIO-CYBMUJFWSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574155952 950217238 /nfs/dbraw/zinc/21/72/38/950217238.db2.gz SGVFOHCZSHBHIO-CYBMUJFWSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574155971 950218525 /nfs/dbraw/zinc/21/85/25/950218525.db2.gz SOLXYPXJVMIBEE-ZDUSSCGKSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574740031 950219419 /nfs/dbraw/zinc/21/94/19/950219419.db2.gz BJOOJRURRZWTEH-NSHDSACASA-N 0 1 381.444 0.478 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574497060 950219695 /nfs/dbraw/zinc/21/96/95/950219695.db2.gz YRYNQDNUIDICAI-VXGBXAGGSA-N 0 1 384.448 0.525 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1CNCc1csnn1 ZINC001576192049 950221882 /nfs/dbraw/zinc/22/18/82/950221882.db2.gz LHBPYYPDGLGUPI-QWRGUYRKSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574497056 950222172 /nfs/dbraw/zinc/22/21/72/950222172.db2.gz YRYNQDNUIDICAI-NEPJUHHUSA-N 0 1 384.448 0.525 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccncc1-c1nn[nH]n1 ZINC001574741140 950234443 /nfs/dbraw/zinc/23/44/43/950234443.db2.gz GWLKXSCTLQQMDK-NSHDSACASA-N 0 1 381.444 0.867 20 0 GCADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001573845583 950237117 /nfs/dbraw/zinc/23/71/17/950237117.db2.gz HUNAIASELXTUFG-UONOGXRCSA-N 0 1 387.488 0.989 20 0 GCADMN C[C@H](CN(C)C(=O)c1c(F)cncc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574741226 950239722 /nfs/dbraw/zinc/23/97/22/950239722.db2.gz ILIDPNFKAHTDRH-MRVPVSSYSA-N 0 1 375.343 0.324 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574157569 950243705 /nfs/dbraw/zinc/24/37/05/950243705.db2.gz DBEMRJHJOKLQQR-IUODEOHRSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574983887 950247856 /nfs/dbraw/zinc/24/78/56/950247856.db2.gz UNRAICFQWMXFBH-MVWJERBFSA-N 0 1 383.416 0.204 20 0 GCADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1)C1CC1 ZINC001574498005 950256463 /nfs/dbraw/zinc/25/64/63/950256463.db2.gz IDVWSLAUMBQZLO-GFCCVEGCSA-N 0 1 386.460 0.592 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574157837 950257076 /nfs/dbraw/zinc/25/70/76/950257076.db2.gz JOTPMWVANROVKT-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574157837 950257098 /nfs/dbraw/zinc/25/70/98/950257098.db2.gz JOTPMWVANROVKT-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574157837 950257116 /nfs/dbraw/zinc/25/71/16/950257116.db2.gz JOTPMWVANROVKT-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574157837 950257136 /nfs/dbraw/zinc/25/71/36/950257136.db2.gz JOTPMWVANROVKT-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574497991 950257160 /nfs/dbraw/zinc/25/71/60/950257160.db2.gz HWOGJYWPSWYDKJ-HSBZDZAISA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574498003 950257628 /nfs/dbraw/zinc/25/76/28/950257628.db2.gz IDBKGWAJLCEVKT-OCCSQVGLSA-N 0 1 382.428 0.161 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574157939 950264496 /nfs/dbraw/zinc/26/44/96/950264496.db2.gz LKIRIMUYTUIIQW-GFCCVEGCSA-N 0 1 383.416 0.436 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cnn(C)c1 ZINC001574157985 950267918 /nfs/dbraw/zinc/26/79/18/950267918.db2.gz MEMCUOVHVHWHGJ-AWEZNQCLSA-N 0 1 383.460 0.603 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574158005 950269011 /nfs/dbraw/zinc/26/90/11/950269011.db2.gz MVELYKHHPXPEAV-QWHCGFSZSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574158244 950273389 /nfs/dbraw/zinc/27/33/89/950273389.db2.gz PPOHPUNRBPHIHQ-MGPQQGTHSA-N 0 1 387.492 0.362 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCC(=O)N1C ZINC001574158306 950278068 /nfs/dbraw/zinc/27/80/68/950278068.db2.gz QLXLGJCGXRHSIO-SWLSCSKDSA-N 0 1 386.460 0.247 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001574158272 950278521 /nfs/dbraw/zinc/27/85/21/950278521.db2.gz QDGNWZFLJOVFOZ-SYQHCUMBSA-N 0 1 386.460 0.589 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC(=O)N1C ZINC001574158308 950279055 /nfs/dbraw/zinc/27/90/55/950279055.db2.gz QLXLGJCGXRHSIO-WFASDCNBSA-N 0 1 386.460 0.247 20 0 GCADMN C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CNCc1nncs1 ZINC001576193201 950284642 /nfs/dbraw/zinc/28/46/42/950284642.db2.gz SLTQANHIOSXPHC-JQWIXIFHSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575904841 950288407 /nfs/dbraw/zinc/28/84/07/950288407.db2.gz AVCPIVZWVLXIPY-SMDDNHRTSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575904841 950288430 /nfs/dbraw/zinc/28/84/30/950288430.db2.gz AVCPIVZWVLXIPY-SMDDNHRTSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCCC(N)=O ZINC001575905461 950294047 /nfs/dbraw/zinc/29/40/47/950294047.db2.gz CUGPACHVBRYDBF-CMPLNLGQSA-N 0 1 377.474 0.663 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCCC(N)=O ZINC001575905461 950294063 /nfs/dbraw/zinc/29/40/63/950294063.db2.gz CUGPACHVBRYDBF-CMPLNLGQSA-N 0 1 377.474 0.663 20 0 GCADMN C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574742596 950298355 /nfs/dbraw/zinc/29/83/55/950298355.db2.gz PNQFAAFBDADVAF-SNVBAGLBSA-N 0 1 382.432 0.262 20 0 GCADMN C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)n1cccc1 ZINC001574499216 950300367 /nfs/dbraw/zinc/30/03/67/950300367.db2.gz TZOSGNXZLOTDEQ-ZDUSSCGKSA-N 0 1 381.444 0.982 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001574742749 950301566 /nfs/dbraw/zinc/30/15/66/950301566.db2.gz QTVJZEOCPOQRJW-WDEREUQCSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575906050 950302787 /nfs/dbraw/zinc/30/27/87/950302787.db2.gz GKBQICSFDUSZBQ-GXFFZTMASA-N 0 1 389.485 0.533 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574742739 950302607 /nfs/dbraw/zinc/30/26/07/950302607.db2.gz QTVJZEOCPOQRJW-MNOVXSKESA-N 0 1 385.432 0.373 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575906050 950302812 /nfs/dbraw/zinc/30/28/12/950302812.db2.gz GKBQICSFDUSZBQ-GXFFZTMASA-N 0 1 389.485 0.533 20 0 GCADMN C[C@H](CC(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)NC(N)=O ZINC001574500208 950310906 /nfs/dbraw/zinc/31/09/06/950310906.db2.gz YDGAFNWPHDBTAT-SNVBAGLBSA-N 0 1 390.423 0.191 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001574500279 950312482 /nfs/dbraw/zinc/31/24/82/950312482.db2.gz ZGRBSMQWZSVLQG-OCCSQVGLSA-N 0 1 388.476 0.574 20 0 GCADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)n1cccn1 ZINC001574500282 950313485 /nfs/dbraw/zinc/31/34/85/950313485.db2.gz ZGTYUDZMDAZMQB-CYBMUJFWSA-N 0 1 381.444 0.982 20 0 GCADMN C[C@@]1(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)CCNC(=O)C1 ZINC001575593298 950314785 /nfs/dbraw/zinc/31/47/85/950314785.db2.gz FIDKUVNZTFZKTH-LJQANCHMSA-N 0 1 383.456 0.331 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193918 950318740 /nfs/dbraw/zinc/31/87/40/950318740.db2.gz WAPOFYZPOYRHAO-TZMCWYRMSA-N 0 1 381.444 0.627 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)n1cncn1 ZINC001574159873 950319867 /nfs/dbraw/zinc/31/98/67/950319867.db2.gz YWQKBFLFOJYINE-QWHCGFSZSA-N 0 1 384.448 0.479 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574159812 950321126 /nfs/dbraw/zinc/32/11/26/950321126.db2.gz JNEGJFMKHIITNW-ZDUSSCGKSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574159812 950321150 /nfs/dbraw/zinc/32/11/50/950321150.db2.gz JNEGJFMKHIITNW-ZDUSSCGKSA-N 0 1 385.476 0.695 20 0 GCADMN CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)CCCC1 ZINC001575594048 950326053 /nfs/dbraw/zinc/32/60/53/950326053.db2.gz JHEXUROCMWNANW-CYBMUJFWSA-N 0 1 386.460 0.949 20 0 GCADMN CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)CCCC1 ZINC001575594049 950327141 /nfs/dbraw/zinc/32/71/41/950327141.db2.gz JHEXUROCMWNANW-ZDUSSCGKSA-N 0 1 386.460 0.949 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](Cn1cc(-c3nn[nH]n3)nn1)OC2=O ZINC001573853506 950327403 /nfs/dbraw/zinc/32/74/03/950327403.db2.gz QKMFCTXLOWBQBU-SECBINFHSA-N 0 1 376.377 0.011 20 0 GCADMN CC1CCN(CC(=O)N(C)C[C@H](O)CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001576194204 950330518 /nfs/dbraw/zinc/33/05/18/950330518.db2.gz XNWLQVDLIBNMPN-OAHLLOKOSA-N 0 1 388.476 0.225 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1nccnc1N ZINC001575907621 950336683 /nfs/dbraw/zinc/33/66/83/950336683.db2.gz PUDCZHXGYFAVSC-KOLCDFICSA-N 0 1 385.457 0.693 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1nccnc1N ZINC001575907621 950336705 /nfs/dbraw/zinc/33/67/05/950336705.db2.gz PUDCZHXGYFAVSC-KOLCDFICSA-N 0 1 385.457 0.693 20 0 GCADMN C[C@@H]1CCN(C(=O)c2nccs2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576194464 950341214 /nfs/dbraw/zinc/34/12/14/950341214.db2.gz ZBRIAAYNQOCOES-GHMZBOCLSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574501879 950345783 /nfs/dbraw/zinc/34/57/83/950345783.db2.gz HCMKELXJSKSPSL-QWHCGFSZSA-N 0 1 382.432 0.590 20 0 GCADMN CC1CCN(CC(=O)N(CCO)CCNc2ncccc2-c2nn[nH]n2)CC1 ZINC001576196191 950346803 /nfs/dbraw/zinc/34/68/03/950346803.db2.gz AACGNSQINLVMEP-UHFFFAOYSA-N 0 1 388.476 0.226 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)CCCN(C)c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576196435 950357988 /nfs/dbraw/zinc/35/79/88/950357988.db2.gz DJPSUNNIIMZZKU-UHFFFAOYSA-N 0 1 387.492 0.673 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576196425 950359880 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C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001576204361 950464464 /nfs/dbraw/zinc/46/44/64/950464464.db2.gz ORUSOSADPBOETG-SGTLLEGYSA-N 0 1 385.476 0.695 20 0 GCADMN CC1CC[NH+](CC(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576204680 950469867 /nfs/dbraw/zinc/46/98/67/950469867.db2.gz ACNIFPVBXFXNFZ-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576204617 950470395 /nfs/dbraw/zinc/47/03/95/950470395.db2.gz QPHJQLJCKWOZIA-IYXRBSQSSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576204617 950470408 /nfs/dbraw/zinc/47/04/08/950470408.db2.gz QPHJQLJCKWOZIA-IYXRBSQSSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CC(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001574508170 950471370 /nfs/dbraw/zinc/47/13/70/950471370.db2.gz JYEONQCODXYFPM-LBPRGKRZSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCCOC1 ZINC001575605595 950471506 /nfs/dbraw/zinc/47/15/06/950471506.db2.gz NVFDCLYGTRNMGS-SNUQEOBHSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574752125 950473754 /nfs/dbraw/zinc/47/37/54/950473754.db2.gz TXEJKJYOSARCBW-LBPRGKRZSA-N 0 1 381.444 0.789 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@]2(C)CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576204908 950481744 /nfs/dbraw/zinc/48/17/44/950481744.db2.gz SDAHPDIUPCMTCR-GOSISDBHSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574508876 950487139 /nfs/dbraw/zinc/48/71/39/950487139.db2.gz PSABYCKIOOMCGX-GMTAPVOTSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574508876 950487158 /nfs/dbraw/zinc/48/71/58/950487158.db2.gz PSABYCKIOOMCGX-GMTAPVOTSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576204995 950487873 /nfs/dbraw/zinc/48/78/73/950487873.db2.gz FITMLJSLWPQWFT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576204995 950487890 /nfs/dbraw/zinc/48/78/90/950487890.db2.gz FITMLJSLWPQWFT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576204995 950487904 /nfs/dbraw/zinc/48/79/04/950487904.db2.gz FITMLJSLWPQWFT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576204995 950487920 /nfs/dbraw/zinc/48/79/20/950487920.db2.gz FITMLJSLWPQWFT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576204996 950488420 /nfs/dbraw/zinc/48/84/20/950488420.db2.gz FITMLJSLWPQWFT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576204996 950488440 /nfs/dbraw/zinc/48/84/40/950488440.db2.gz FITMLJSLWPQWFT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576204996 950488453 /nfs/dbraw/zinc/48/84/53/950488453.db2.gz FITMLJSLWPQWFT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576204996 950488476 /nfs/dbraw/zinc/48/84/76/950488476.db2.gz FITMLJSLWPQWFT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN CC(C)(C)OCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573866757 950516886 /nfs/dbraw/zinc/51/68/86/950516886.db2.gz LJFDFEFEQFEEHF-CHWSQXEVSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@H](CC(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)NC(N)=O ZINC001574509603 950522625 /nfs/dbraw/zinc/52/26/25/950522625.db2.gz SRRVLBPEBCQDLO-SNVBAGLBSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@]1(C(N)=O)CCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[nH]n2)C1 ZINC001575614393 950527556 /nfs/dbraw/zinc/52/75/56/950527556.db2.gz APQUPASITHRBPV-HNNXBMFYSA-N 0 1 392.466 0.967 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574509773 950532424 /nfs/dbraw/zinc/53/24/24/950532424.db2.gz XWSLVHYFHVCMPH-LPEHRKFASA-N 0 1 384.366 0.974 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)C1 ZINC001576205737 950537080 /nfs/dbraw/zinc/53/70/80/950537080.db2.gz NYDRSRVEKOBNRA-ZDUSSCGKSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)C1 ZINC001576205737 950537092 /nfs/dbraw/zinc/53/70/92/950537092.db2.gz NYDRSRVEKOBNRA-ZDUSSCGKSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576205929 950546988 /nfs/dbraw/zinc/54/69/88/950546988.db2.gz RJKSUUFRHXAVTK-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576205929 950547005 /nfs/dbraw/zinc/54/70/05/950547005.db2.gz RJKSUUFRHXAVTK-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576205929 950547025 /nfs/dbraw/zinc/54/70/25/950547025.db2.gz RJKSUUFRHXAVTK-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576205964 950548965 /nfs/dbraw/zinc/54/89/65/950548965.db2.gz RVZCRRAWSIOWLG-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576205964 950548986 /nfs/dbraw/zinc/54/89/86/950548986.db2.gz RVZCRRAWSIOWLG-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN CC(C)(C)OCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001573868921 950549797 /nfs/dbraw/zinc/54/97/97/950549797.db2.gz IJBAXYADJHAGIF-UHFFFAOYSA-N 0 1 389.460 0.576 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574999014 950562113 /nfs/dbraw/zinc/56/21/13/950562113.db2.gz CVEZGEGLHPZOMD-MRVPVSSYSA-N 0 1 387.429 0.072 20 0 GCADMN CC1CC[NH+](CC(=O)NC[C@@H](Nc2nccnc2-c2nn[n-]n2)C2CC2)CC1 ZINC001576206152 950568325 /nfs/dbraw/zinc/56/83/25/950568325.db2.gz VJUAJRLHTNHXAH-CQSZACIVSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576206612 950579060 /nfs/dbraw/zinc/57/90/60/950579060.db2.gz YGLUDGRFDIHRMM-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576206612 950579067 /nfs/dbraw/zinc/57/90/67/950579067.db2.gz YGLUDGRFDIHRMM-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576206612 950579086 /nfs/dbraw/zinc/57/90/86/950579086.db2.gz YGLUDGRFDIHRMM-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001574999418 950580435 /nfs/dbraw/zinc/58/04/35/950580435.db2.gz JHBTWNFCDCDIDF-NSHDSACASA-N 0 1 381.444 0.773 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)n1cccn1 ZINC001574511956 950580668 /nfs/dbraw/zinc/58/06/68/950580668.db2.gz XSGZRTJUHNYQFV-FRRDWIJNSA-N 0 1 382.432 0.445 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574999430 950580919 /nfs/dbraw/zinc/58/09/19/950580919.db2.gz JPJHLIYMZCGJAF-VIFPVBQESA-N 0 1 386.441 0.330 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(N)=O)ccn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574999430 950580928 /nfs/dbraw/zinc/58/09/28/950580928.db2.gz JPJHLIYMZCGJAF-VIFPVBQESA-N 0 1 386.441 0.330 20 0 GCADMN C[C@H](CNC(=O)CN1CCC(C)CC1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576206936 950582553 /nfs/dbraw/zinc/58/25/53/950582553.db2.gz ZSFMEFTXMVTXAY-CYBMUJFWSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575918133 950587398 /nfs/dbraw/zinc/58/73/98/950587398.db2.gz AOCGOBPWKLWFRG-HTQZYQBOSA-N 0 1 391.848 0.904 20 0 GCADMN CC(C)(C)OCC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001573870367 950589384 /nfs/dbraw/zinc/58/93/84/950589384.db2.gz VMRDTCTZQVIKDZ-VXGBXAGGSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@@H]1CN(c2ncccc2-c2nn[nH]n2)C[C@H]1NC(=O)CN1CCC(C)CC1 ZINC001576207404 950594027 /nfs/dbraw/zinc/59/40/27/950594027.db2.gz HMFQNMVTLOKNQP-GDBMZVCRSA-N 0 1 384.488 0.935 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576207381 950594337 /nfs/dbraw/zinc/59/43/37/950594337.db2.gz GQMGKUUWAXMEOZ-BHPKHCPMSA-N 0 1 383.460 0.224 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576207381 950594356 /nfs/dbraw/zinc/59/43/56/950594356.db2.gz GQMGKUUWAXMEOZ-BHPKHCPMSA-N 0 1 383.460 0.224 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001576207429 950596474 /nfs/dbraw/zinc/59/64/74/950596474.db2.gz HWEKBOVPRLNPBN-MGPQQGTHSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001576207429 950596488 /nfs/dbraw/zinc/59/64/88/950596488.db2.gz HWEKBOVPRLNPBN-MGPQQGTHSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001576207429 950596502 /nfs/dbraw/zinc/59/65/02/950596502.db2.gz HWEKBOVPRLNPBN-MGPQQGTHSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001576207429 950596516 /nfs/dbraw/zinc/59/65/16/950596516.db2.gz HWEKBOVPRLNPBN-MGPQQGTHSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@@H](CNC(=O)c1cc(N(C)C)ccn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575000244 950597084 /nfs/dbraw/zinc/59/70/84/950597084.db2.gz BOKZZYKGUCWPLK-LBPRGKRZSA-N 0 1 381.444 0.977 20 0 GCADMN CC(C)n1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1 ZINC001575918503 950597979 /nfs/dbraw/zinc/59/79/79/950597979.db2.gz CVHFYGURWDODBS-RYUDHWBXSA-N 0 1 382.432 0.571 20 0 GCADMN CC(C)(C)OCC(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573870898 950606264 /nfs/dbraw/zinc/60/62/64/950606264.db2.gz ZMGITADZZYCANQ-LBPRGKRZSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@H](CN(C)C(=O)c1cccnc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574758319 950607701 /nfs/dbraw/zinc/60/77/01/950607701.db2.gz ATDGCXIWDKIPGM-SECBINFHSA-N 0 1 389.370 0.984 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576208443 950610709 /nfs/dbraw/zinc/61/07/09/950610709.db2.gz PYSPDHPWSMJULM-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576208443 950610719 /nfs/dbraw/zinc/61/07/19/950610719.db2.gz PYSPDHPWSMJULM-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576208443 950610729 /nfs/dbraw/zinc/61/07/29/950610729.db2.gz PYSPDHPWSMJULM-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576208443 950610740 /nfs/dbraw/zinc/61/07/40/950610740.db2.gz PYSPDHPWSMJULM-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)n1cccn1 ZINC001574513534 950611101 /nfs/dbraw/zinc/61/11/01/950611101.db2.gz SCZSIYQCMCORHG-UPJWGTAASA-N 0 1 382.432 0.588 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575919410 950612696 /nfs/dbraw/zinc/61/26/96/950612696.db2.gz HTYSHVCYMZGOFR-JSGCOSHPSA-N 0 1 386.460 0.687 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576208679 950614475 /nfs/dbraw/zinc/61/44/75/950614475.db2.gz SEHLAENQPJPEBT-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576208679 950614485 /nfs/dbraw/zinc/61/44/85/950614485.db2.gz SEHLAENQPJPEBT-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cc1cccc(F)c1 ZINC001575919586 950616264 /nfs/dbraw/zinc/61/62/64/950616264.db2.gz HXIHFDDQGXYAAO-RISCZKNCSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575919679 950617349 /nfs/dbraw/zinc/61/73/49/950617349.db2.gz JRHRPIWVZZCQBR-ZYHUDNBSSA-N 0 1 379.428 0.611 20 0 GCADMN C[C@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574758589 950618897 /nfs/dbraw/zinc/61/88/97/950618897.db2.gz DYECUCRYIGAOFX-GFCCVEGCSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575001150 950622510 /nfs/dbraw/zinc/62/25/10/950622510.db2.gz UJBLTGQGZITXEL-VIFPVBQESA-N 0 1 386.391 0.341 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2c(c1)COC2 ZINC001575920242 950626786 /nfs/dbraw/zinc/62/67/86/950626786.db2.gz LQIJSRAZLNREIO-NHYWBVRUSA-N 0 1 392.423 0.824 20 0 GCADMN C[C@H]1CC[N@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC001576213458 950627837 /nfs/dbraw/zinc/62/78/37/950627837.db2.gz AHUMLYQNMUZZNG-NSHDSACASA-N 0 1 376.469 0.088 20 0 GCADMN C[C@H]1CC[N@@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC001576213458 950627853 /nfs/dbraw/zinc/62/78/53/950627853.db2.gz AHUMLYQNMUZZNG-NSHDSACASA-N 0 1 376.469 0.088 20 0 GCADMN C[C@H]1CC[N@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC001576213458 950627872 /nfs/dbraw/zinc/62/78/72/950627872.db2.gz AHUMLYQNMUZZNG-NSHDSACASA-N 0 1 376.469 0.088 20 0 GCADMN C[C@H]1CC[N@@H+](CCNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC001576213458 950627883 /nfs/dbraw/zinc/62/78/83/950627883.db2.gz AHUMLYQNMUZZNG-NSHDSACASA-N 0 1 376.469 0.088 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575920592 950631787 /nfs/dbraw/zinc/63/17/87/950631787.db2.gz MQDTXHULKPNRFM-IUCAKERBSA-N 0 1 388.823 0.181 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575921619 950639024 /nfs/dbraw/zinc/63/90/24/950639024.db2.gz OCABZDSSYYAHFR-RISCZKNCSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576213692 950642604 /nfs/dbraw/zinc/64/26/04/950642604.db2.gz GQMGKUUWAXMEOZ-XFMPKHEZSA-N 0 1 383.460 0.224 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576213692 950642618 /nfs/dbraw/zinc/64/26/18/950642618.db2.gz GQMGKUUWAXMEOZ-XFMPKHEZSA-N 0 1 383.460 0.224 20 0 GCADMN CC(C)(C)OCC(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573873495 950644146 /nfs/dbraw/zinc/64/41/46/950644146.db2.gz MHNCKPXLOQBJHZ-JOCQHMNTSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575923260 950654979 /nfs/dbraw/zinc/65/49/79/950654979.db2.gz PZWMQCRDPVSVKZ-GXSJLCMTSA-N 0 1 380.416 0.394 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575923343 950657868 /nfs/dbraw/zinc/65/78/68/950657868.db2.gz RBISLSIASWXOFR-PSASIEDQSA-N 0 1 388.823 0.181 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760529 950669231 /nfs/dbraw/zinc/66/92/31/950669231.db2.gz WOBGVUZPFNXNGN-MRVPVSSYSA-N 0 1 378.347 0.243 20 0 GCADMN C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576214495 950670437 /nfs/dbraw/zinc/67/04/37/950670437.db2.gz AWMSWGRFCQUXRZ-QMTHXVAHSA-N 0 1 382.432 0.038 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575924281 950670633 /nfs/dbraw/zinc/67/06/33/950670633.db2.gz FDCHWSXIMKSNQL-CABZTGNLSA-N 0 1 387.835 0.786 20 0 GCADMN CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001575925294 950683305 /nfs/dbraw/zinc/68/33/05/950683305.db2.gz UCJSDMHBEQHRSY-VXGBXAGGSA-N 0 1 382.432 0.571 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576214996 950686275 /nfs/dbraw/zinc/68/62/75/950686275.db2.gz SZTBUUIFTRYNRF-NEBZKDRISA-N 0 1 383.460 0.224 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576214996 950686286 /nfs/dbraw/zinc/68/62/86/950686286.db2.gz SZTBUUIFTRYNRF-NEBZKDRISA-N 0 1 383.460 0.224 20 0 GCADMN C[C@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574519624 950689892 /nfs/dbraw/zinc/68/98/92/950689892.db2.gz XFQYBFMPDTZPCB-BNOWGMLFSA-N 0 1 379.428 0.727 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574761158 950692670 /nfs/dbraw/zinc/69/26/70/950692670.db2.gz RKFRBWAMBOYRHO-JTQLQIEISA-N 0 1 391.386 0.718 20 0 GCADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573878369 950703361 /nfs/dbraw/zinc/70/33/61/950703361.db2.gz OANXXRHWLGRIRI-JHJVBQTASA-N 0 1 386.460 0.660 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574179613 950708897 /nfs/dbraw/zinc/70/88/97/950708897.db2.gz GQZCJVQTRPSORK-CYBMUJFWSA-N 0 1 388.476 0.755 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@H]1CCCO1 ZINC001574520014 950709145 /nfs/dbraw/zinc/70/91/45/950709145.db2.gz ZSBLZOKQKBYNND-VBTGVMJWSA-N 0 1 384.444 0.413 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575926556 950713230 /nfs/dbraw/zinc/71/32/30/950713230.db2.gz XOCJZNMSJGPUEK-ZIAGYGMSSA-N 0 1 381.444 0.762 20 0 GCADMN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575006230 950716010 /nfs/dbraw/zinc/71/60/10/950716010.db2.gz TVJIEQRBYHGSCX-JTQLQIEISA-N 0 1 388.457 0.767 20 0 GCADMN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575006230 950716024 /nfs/dbraw/zinc/71/60/24/950716024.db2.gz TVJIEQRBYHGSCX-JTQLQIEISA-N 0 1 388.457 0.767 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575926662 950717667 /nfs/dbraw/zinc/71/76/67/950717667.db2.gz YAMHLDNXPLEIRZ-WPRPVWTQSA-N 0 1 390.358 0.385 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574763657 950725535 /nfs/dbraw/zinc/72/55/35/950725535.db2.gz HJQUMBWHRDVZSW-JTQLQIEISA-N 0 1 387.423 0.572 20 0 GCADMN C[C@@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575006949 950730085 /nfs/dbraw/zinc/73/00/85/950730085.db2.gz YUHCXCCSLMHZKC-NSHDSACASA-N 0 1 383.416 0.495 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763757 950730973 /nfs/dbraw/zinc/73/09/73/950730973.db2.gz JUEHWWDOXDJCQQ-MRVPVSSYSA-N 0 1 392.374 0.322 20 0 GCADMN C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccncc3-c3nn[nH]n3)nc2C1 ZINC001576216405 950731108 /nfs/dbraw/zinc/73/11/08/950731108.db2.gz JAHSICWFVFZNQD-LBPRGKRZSA-N 0 1 381.444 0.907 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575927327 950740984 /nfs/dbraw/zinc/74/09/84/950740984.db2.gz PBQYNRTWGNYTNB-FZMZJTMJSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001576216889 950745469 /nfs/dbraw/zinc/74/54/69/950745469.db2.gz JWMMDNMLPASYNB-VXGBXAGGSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576216932 950746330 /nfs/dbraw/zinc/74/63/30/950746330.db2.gz KEZOMBNOCWGJID-NXEZZACHSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575927621 950746621 /nfs/dbraw/zinc/74/66/21/950746621.db2.gz QWTXYIVXXHDYOL-AAEUAGOBSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575927624 950748938 /nfs/dbraw/zinc/74/89/38/950748938.db2.gz QWTXYIVXXHDYOL-YPMHNXCESA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575927633 950749131 /nfs/dbraw/zinc/74/91/31/950749131.db2.gz RELTXIOZGWGGSU-BXKDBHETSA-N 0 1 389.370 0.990 20 0 GCADMN CC(C)(C)c1ccc(-c2nn[nH]n2)c(NCc2n[nH]c(CS(C)(=O)=O)n2)n1 ZINC001573881296 950749301 /nfs/dbraw/zinc/74/93/01/950749301.db2.gz CPFGGUVJNJMLNL-UHFFFAOYSA-N 0 1 391.461 0.834 20 0 GCADMN C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764467 950754532 /nfs/dbraw/zinc/75/45/32/950754532.db2.gz UALXVRTWTBPXCD-SNVBAGLBSA-N 0 1 380.416 0.319 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927735 950757568 /nfs/dbraw/zinc/75/75/68/950757568.db2.gz SYOLLADOWIKZQH-RISCZKNCSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1cnnn1 ZINC001574521082 950766489 /nfs/dbraw/zinc/76/64/89/950766489.db2.gz CYRJPNDOVWVUOD-QWRGUYRKSA-N 0 1 390.477 0.378 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCn1cnnn1 ZINC001574521082 950766503 /nfs/dbraw/zinc/76/65/03/950766503.db2.gz CYRJPNDOVWVUOD-QWRGUYRKSA-N 0 1 390.477 0.378 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCNC(N)=O ZINC001574521069 950766809 /nfs/dbraw/zinc/76/68/09/950766809.db2.gz CUWXYQMOAODZSY-UWVGGRQHSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCNC(N)=O ZINC001574521069 950766820 /nfs/dbraw/zinc/76/68/20/950766820.db2.gz CUWXYQMOAODZSY-UWVGGRQHSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncnc1 ZINC001575928078 950771084 /nfs/dbraw/zinc/77/10/84/950771084.db2.gz YKNDDGBMYJJBBE-IUODEOHRSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575928164 950775505 /nfs/dbraw/zinc/77/55/05/950775505.db2.gz ZNCMFUNQUXVVRV-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575928164 950775518 /nfs/dbraw/zinc/77/55/18/950775518.db2.gz ZNCMFUNQUXVVRV-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C)c1ccc(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c(=O)[nH]1 ZINC001573882226 950777736 /nfs/dbraw/zinc/77/77/36/950777736.db2.gz XYQHSLXRDYJGQF-UHFFFAOYSA-N 0 1 386.420 0.356 20 0 GCADMN C[C@H](CN(C)[C@@H]1CCN(C(C)(C)C)C1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765481 950785918 /nfs/dbraw/zinc/78/59/18/950785918.db2.gz CWCPNDGVXLEONW-BXUZGUMPSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ccnc(-c4nn[nH]n4)n3)c2C1 ZINC001576218378 950785793 /nfs/dbraw/zinc/78/57/93/950785793.db2.gz RHTMXKKJJMWLRT-JTQLQIEISA-N 0 1 382.432 0.371 20 0 GCADMN C[C@H](CN(C)C(=O)c1scnc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574765488 950787378 /nfs/dbraw/zinc/78/73/78/950787378.db2.gz CXRXBWFDBSFOQV-SSDOTTSWSA-N 0 1 379.837 0.761 20 0 GCADMN CC1(C)CC(CC(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575632096 950787424 /nfs/dbraw/zinc/78/74/24/950787424.db2.gz ACGCSXXOJXUFOS-CYBMUJFWSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@H](CN(C)C(=O)c1scnc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574765489 950789199 /nfs/dbraw/zinc/78/91/99/950789199.db2.gz CXRXBWFDBSFOQV-ZETCQYMHSA-N 0 1 379.837 0.761 20 0 GCADMN CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884692 950799065 /nfs/dbraw/zinc/79/90/65/950799065.db2.gz IVNWRKKMGGGXHP-JTQLQIEISA-N 0 1 382.432 0.686 20 0 GCADMN CC(C)(C)c1nc(CNC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)n[nH]1 ZINC001573884718 950799243 /nfs/dbraw/zinc/79/92/43/950799243.db2.gz JYCCISVINKZRLO-UHFFFAOYSA-N 0 1 384.448 0.663 20 0 GCADMN CC(C)(C)c1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001573884743 950806155 /nfs/dbraw/zinc/80/61/55/950806155.db2.gz OKVMPRCJOMTVEB-JTQLQIEISA-N 0 1 383.416 0.691 20 0 GCADMN CC(C)(C)c1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001573884744 950807333 /nfs/dbraw/zinc/80/73/33/950807333.db2.gz OKVMPRCJOMTVEB-SNVBAGLBSA-N 0 1 383.416 0.691 20 0 GCADMN CC(C)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574186690 950817627 /nfs/dbraw/zinc/81/76/27/950817627.db2.gz ILDYGHYAXHCVSZ-UONOGXRCSA-N 0 1 388.476 0.933 20 0 GCADMN CC(C)(C)c1nc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)co1 ZINC001573885090 950818064 /nfs/dbraw/zinc/81/80/64/950818064.db2.gz OCSYSCLAHQMAGB-UHFFFAOYSA-N 0 1 383.416 0.739 20 0 GCADMN C[C@@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766614 950819953 /nfs/dbraw/zinc/81/99/53/950819953.db2.gz JTIAMXOUGIXZNW-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766804 950825273 /nfs/dbraw/zinc/82/52/73/950825273.db2.gz MKYDECRITPBAFA-JTQLQIEISA-N 0 1 382.432 0.253 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)[C@H]1CCN(C(C)(C)C)C1=O ZINC001575010814 950829402 /nfs/dbraw/zinc/82/94/02/950829402.db2.gz JFDJMEIFXYVESF-FZMZJTMJSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H](CN(C)[C@H]1CCN(C2CCC2)C1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767128 950834940 /nfs/dbraw/zinc/83/49/40/950834940.db2.gz MCNQRDQIXXRUOQ-ABAIWWIYSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767453 950853408 /nfs/dbraw/zinc/85/34/08/950853408.db2.gz OPPDDTQWHYTTAE-SSDOTTSWSA-N 0 1 379.331 0.577 20 0 GCADMN C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575934686 950862409 /nfs/dbraw/zinc/86/24/09/950862409.db2.gz SKZLNHZSEBGMCJ-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575934686 950862428 /nfs/dbraw/zinc/86/24/28/950862428.db2.gz SKZLNHZSEBGMCJ-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001573888598 950871412 /nfs/dbraw/zinc/87/14/12/950871412.db2.gz WYPDFWUTVFYPSF-SNVBAGLBSA-N 0 1 386.416 0.172 20 0 GCADMN C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1nnnn1C1CC1 ZINC001574527401 950885194 /nfs/dbraw/zinc/88/51/94/950885194.db2.gz BDOPZXHRLKRVBQ-UWVGGRQHSA-N 0 1 385.436 0.203 20 0 GCADMN C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1nnnn1C1CC1 ZINC001574527400 950887392 /nfs/dbraw/zinc/88/73/92/950887392.db2.gz BDOPZXHRLKRVBQ-NXEZZACHSA-N 0 1 385.436 0.203 20 0 GCADMN CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001573893655 950893382 /nfs/dbraw/zinc/89/33/82/950893382.db2.gz PMZQEXZYRDLGDL-PHIMTYICSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576226849 950893404 /nfs/dbraw/zinc/89/34/04/950893404.db2.gz BANCQKPZUZIWKZ-QWHCGFSZSA-N 0 1 385.476 0.790 20 0 GCADMN CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001590209602 950897695 /nfs/dbraw/zinc/89/76/95/950897695.db2.gz XNABVKKKLFHRKN-XNDRKVBMSA-N 0 1 382.457 0.790 20 0 GCADMN CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001590209602 950897714 /nfs/dbraw/zinc/89/77/14/950897714.db2.gz XNABVKKKLFHRKN-XNDRKVBMSA-N 0 1 382.457 0.790 20 0 GCADMN CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001573894018 950919629 /nfs/dbraw/zinc/91/96/29/950919629.db2.gz IYFYTICSFQXSTB-LBPRGKRZSA-N 0 1 382.432 0.357 20 0 GCADMN CC(C)(C)n1cc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 ZINC001573894689 950931461 /nfs/dbraw/zinc/93/14/61/950931461.db2.gz YFSWDLDZAFVCFW-ZDUSSCGKSA-N 0 1 387.448 0.027 20 0 GCADMN CC(C)(C)n1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001573894680 950934673 /nfs/dbraw/zinc/93/46/73/950934673.db2.gz XPMIEEXENGHYNY-LBPRGKRZSA-N 0 1 382.432 0.617 20 0 GCADMN CC(C)(C)n1cc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001573894696 950936715 /nfs/dbraw/zinc/93/67/15/950936715.db2.gz YOOZQMRJIZIRFF-LBPRGKRZSA-N 0 1 387.448 0.027 20 0 GCADMN CC(C)(CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573895406 950937330 /nfs/dbraw/zinc/93/73/30/950937330.db2.gz AFNRKLBNECGYNH-SECBINFHSA-N 0 1 387.366 0.551 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576228681 950949674 /nfs/dbraw/zinc/94/96/74/950949674.db2.gz IJLPGEHHLXMVNY-CHWSQXEVSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576228681 950949681 /nfs/dbraw/zinc/94/96/81/950949681.db2.gz IJLPGEHHLXMVNY-CHWSQXEVSA-N 0 1 385.476 0.505 20 0 GCADMN CC1(C)C[C@H](NC(=O)c2ccn[nH]2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643114 950959729 /nfs/dbraw/zinc/95/97/29/950959729.db2.gz YBJFTFPUBPYLHZ-LLVKDONJSA-N 0 1 382.432 0.805 20 0 GCADMN CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C1CC1 ZINC001573897436 950960513 /nfs/dbraw/zinc/96/05/13/950960513.db2.gz PCLBURYAJCUAOW-OLZOCXBDSA-N 0 1 386.460 0.539 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576229073 950961573 /nfs/dbraw/zinc/96/15/73/950961573.db2.gz IRYUTSAPKMRDCJ-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576229073 950961587 /nfs/dbraw/zinc/96/15/87/950961587.db2.gz IRYUTSAPKMRDCJ-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)(CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)CC(F)F ZINC001573897483 950963009 /nfs/dbraw/zinc/96/30/09/950963009.db2.gz QSZWFOMSTZIDMF-SECBINFHSA-N 0 1 384.391 0.039 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575018109 951016227 /nfs/dbraw/zinc/01/62/27/951016227.db2.gz KSIIPAMIAQJHNI-JTQLQIEISA-N 0 1 386.391 0.008 20 0 GCADMN C[C@@H](N[C@@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)C(=O)Nc1nccs1 ZINC001575018912 951026928 /nfs/dbraw/zinc/02/69/28/951026928.db2.gz RPCXTGDYZAGHJI-DTWKUNHWSA-N 0 1 389.445 0.386 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1ccccc1F ZINC001575018956 951027581 /nfs/dbraw/zinc/02/75/81/951027581.db2.gz RTIJZMZDPFNSFL-JTQLQIEISA-N 0 1 386.391 0.681 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccncc1-c1nn[nH]n1 ZINC001575019012 951031898 /nfs/dbraw/zinc/03/18/98/951031898.db2.gz PGDRTRWOHJGGNY-NSHDSACASA-N 0 1 380.412 0.261 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)CNc1ccncc1-c1nn[nH]n1 ZINC001575019011 951032451 /nfs/dbraw/zinc/03/24/51/951032451.db2.gz PGDRTRWOHJGGNY-LLVKDONJSA-N 0 1 380.412 0.261 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575019284 951032940 /nfs/dbraw/zinc/03/29/40/951032940.db2.gz SGSWXZRUEPQREO-VIFPVBQESA-N 0 1 389.370 0.889 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)N(C)c1ccccc1 ZINC001575019939 951052078 /nfs/dbraw/zinc/05/20/78/951052078.db2.gz WWZBFWHFZBCSOJ-GFCCVEGCSA-N 0 1 382.428 0.566 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccncc1-c1nn[nH]n1 ZINC001575024443 951105246 /nfs/dbraw/zinc/10/52/46/951105246.db2.gz DWPFSCPOBJESSQ-LLVKDONJSA-N 0 1 392.423 0.799 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccncc1-c1nn[nH]n1 ZINC001575024627 951110348 /nfs/dbraw/zinc/11/03/48/951110348.db2.gz JMDFKBBCICWMLT-JTQLQIEISA-N 0 1 382.384 0.080 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)OCCO2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024921 951119925 /nfs/dbraw/zinc/11/99/25/951119925.db2.gz PTTOHBOWNMVQOG-JTQLQIEISA-N 0 1 382.384 0.080 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2nccn2c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575026404 951143131 /nfs/dbraw/zinc/14/31/31/951143131.db2.gz JAKBGPZYFUUYHM-LLVKDONJSA-N 0 1 378.400 0.204 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575026748 951148800 /nfs/dbraw/zinc/14/88/00/951148800.db2.gz MYQRXKNTAGVQJB-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575026748 951148806 /nfs/dbraw/zinc/14/88/06/951148806.db2.gz MYQRXKNTAGVQJB-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027917 951162500 /nfs/dbraw/zinc/16/25/00/951162500.db2.gz IUHUPXORWFLVMM-LBPRGKRZSA-N 0 1 381.444 0.977 20 0 GCADMN C[C@H](CNC(=O)c1ccc2nccnc2c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575029096 951185136 /nfs/dbraw/zinc/18/51/36/951185136.db2.gz ZHGFDBDSQFHVMP-NSHDSACASA-N 0 1 390.411 0.500 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1OCCO2)Nc1ccncc1-c1nn[nH]n1 ZINC001575029725 951189674 /nfs/dbraw/zinc/18/96/74/951189674.db2.gz XATXEGWUYGSTFF-LLVKDONJSA-N 0 1 381.396 0.685 20 0 GCADMN C[C@H](CNC(=O)c1cccnc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575031457 951193433 /nfs/dbraw/zinc/19/34/33/951193433.db2.gz AJLQWQAEUIIOAW-NSHDSACASA-N 0 1 379.428 0.829 20 0 GCADMN C[C@@H](CNC(=O)c1cccnc1C(F)F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575031668 951201547 /nfs/dbraw/zinc/20/15/47/951201547.db2.gz GLUZHIBHFWYDRJ-SECBINFHSA-N 0 1 389.370 0.889 20 0 GCADMN C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575032466 951223036 /nfs/dbraw/zinc/22/30/36/951223036.db2.gz YBGDNJVQBWILMA-LBPRGKRZSA-N 0 1 381.444 0.977 20 0 GCADMN C[C@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575033972 951235581 /nfs/dbraw/zinc/23/55/81/951235581.db2.gz FSTWAUYLEWQYQZ-LLVKDONJSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575034439 951247283 /nfs/dbraw/zinc/24/72/83/951247283.db2.gz NCTWJFYFGXUPRW-VIFPVBQESA-N 0 1 392.374 0.373 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575034699 951252804 /nfs/dbraw/zinc/25/28/04/951252804.db2.gz CBFQGVYVNZPQRI-LLVKDONJSA-N 0 1 384.448 0.863 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575037022 951303520 /nfs/dbraw/zinc/30/35/20/951303520.db2.gz ZTGQIWOEVUKZEW-SECBINFHSA-N 0 1 392.374 0.018 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1ccccc1-c1nn[nH]n1 ZINC001575042393 951363470 /nfs/dbraw/zinc/36/34/70/951363470.db2.gz IWSAHKFBBDVTGB-CYBMUJFWSA-N 0 1 381.440 0.816 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575042932 951376045 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JRWJPXFRYGCJJM-QWRGUYRKSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CNC(=O)CC1OCCCO1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099297 951833795 /nfs/dbraw/zinc/83/37/95/951833795.db2.gz JREADETWXXQAOA-NSHDSACASA-N 0 1 380.474 0.923 20 0 GCADMN C[C@H](CNC(=O)CC1OCCCO1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099297 951833801 /nfs/dbraw/zinc/83/38/01/951833801.db2.gz JREADETWXXQAOA-NSHDSACASA-N 0 1 380.474 0.923 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099515 951835095 /nfs/dbraw/zinc/83/50/95/951835095.db2.gz MLPWVWWWJYEWAC-ZJUUUORDSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099515 951835106 /nfs/dbraw/zinc/83/51/06/951835106.db2.gz MLPWVWWWJYEWAC-ZJUUUORDSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575099427 951835122 /nfs/dbraw/zinc/83/51/22/951835122.db2.gz LSLCMECMVSBICW-NWDGAFQWSA-N 0 1 391.501 0.924 20 0 GCADMN 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ZINC001575101059 951851614 /nfs/dbraw/zinc/85/16/14/951851614.db2.gz YQIFQWISXMSLME-GFCCVEGCSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCCn1cncn1 ZINC001575101059 951851617 /nfs/dbraw/zinc/85/16/17/951851617.db2.gz YQIFQWISXMSLME-GFCCVEGCSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001575101101 951854277 /nfs/dbraw/zinc/85/42/77/951854277.db2.gz ZLSIAYDMZCYJCA-CMPLNLGQSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001575101101 951854282 /nfs/dbraw/zinc/85/42/82/951854282.db2.gz ZLSIAYDMZCYJCA-CMPLNLGQSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575102734 951872674 /nfs/dbraw/zinc/87/26/74/951872674.db2.gz PPSMLOOWIKZINA-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575102734 951872678 /nfs/dbraw/zinc/87/26/78/951872678.db2.gz PPSMLOOWIKZINA-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)CC1 ZINC001602888854 971789574 /nfs/dbraw/zinc/78/95/74/971789574.db2.gz MQIDSNJFAINPTF-HUUCEWRRSA-N 0 1 396.488 0.299 20 0 GCADMN C[C@@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl)N1CCN(C)CC1 ZINC001575119352 951988775 /nfs/dbraw/zinc/98/87/75/951988775.db2.gz XNSFTEZPZARKEY-NSHDSACASA-N 0 1 399.908 0.434 20 0 GCADMN C[C@](CNc1ccc(-c2nn[nH]n2)nn1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575128811 952072806 /nfs/dbraw/zinc/07/28/06/952072806.db2.gz MPRFCIJXMYIYBK-MRXNPFEDSA-N 0 1 383.420 0.104 20 0 GCADMN CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC001602891627 971801672 /nfs/dbraw/zinc/80/16/72/971801672.db2.gz BAGPJGSGIKUJRN-SFHVURJKSA-N 0 1 383.445 0.455 20 0 GCADMN C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575136269 952124839 /nfs/dbraw/zinc/12/48/39/952124839.db2.gz UFKUCEVPAQUZIQ-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575136269 952124840 /nfs/dbraw/zinc/12/48/40/952124840.db2.gz UFKUCEVPAQUZIQ-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575136825 952129215 /nfs/dbraw/zinc/12/92/15/952129215.db2.gz PXSTVWWSCJYOGU-LJMKFJKQSA-N 0 1 386.460 0.327 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575139682 952141087 /nfs/dbraw/zinc/14/10/87/952141087.db2.gz AHDPCHJFAZCKDG-CQSZACIVSA-N 0 1 387.492 0.604 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575141321 952144118 /nfs/dbraw/zinc/14/41/18/952144118.db2.gz GIWZZVRUTZJLNF-SMDDNHRTSA-N 0 1 380.412 0.341 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575142207 952146841 /nfs/dbraw/zinc/14/68/41/952146841.db2.gz KGUQXHWRMCJTED-GXTWGEPZSA-N 0 1 384.419 0.918 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575142700 952148310 /nfs/dbraw/zinc/14/83/10/952148310.db2.gz KWORBQALPUVFQI-ZDUSSCGKSA-N 0 1 387.492 0.602 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575142809 952149273 /nfs/dbraw/zinc/14/92/73/952149273.db2.gz MCKJLRNVYFMWEN-WCQYABFASA-N 0 1 379.428 0.147 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1Cc2cccnc2C1 ZINC001575142808 952149294 /nfs/dbraw/zinc/14/92/94/952149294.db2.gz MCKJLRNVYFMWEN-DGCLKSJQSA-N 0 1 379.428 0.147 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575143369 952151514 /nfs/dbraw/zinc/15/15/14/952151514.db2.gz PCKCJRDLHRXFIC-QGZVFWFLSA-N 0 1 383.391 0.623 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575143597 952154356 /nfs/dbraw/zinc/15/43/56/952154356.db2.gz BKUMLOGCKMFDRZ-NSHDSACASA-N 0 1 382.432 0.184 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575143518 952154572 /nfs/dbraw/zinc/15/45/72/952154572.db2.gz AWURVVYTYMOMQV-GXFFZTMASA-N 0 1 389.464 0.025 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575143520 952155054 /nfs/dbraw/zinc/15/50/54/952155054.db2.gz AWURVVYTYMOMQV-MFKMUULPSA-N 0 1 389.464 0.025 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575143850 952157697 /nfs/dbraw/zinc/15/76/97/952157697.db2.gz CYQFNRWHQXDYKY-QMMMGPOBSA-N 0 1 392.374 0.322 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575143948 952159457 /nfs/dbraw/zinc/15/94/57/952159457.db2.gz DYDUWVIBPKGGGI-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575143883 952159650 /nfs/dbraw/zinc/15/96/50/952159650.db2.gz DIXXYIWISRKLGG-JTQLQIEISA-N 0 1 382.432 0.262 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2c([nH]1)CCCC2 ZINC001575143918 952159951 /nfs/dbraw/zinc/15/99/51/952159951.db2.gz DQDUMNWGWPXQIF-NSHDSACASA-N 0 1 381.444 0.858 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575144005 952160786 /nfs/dbraw/zinc/16/07/86/952160786.db2.gz FHDVTDCRCRACEU-SECBINFHSA-N 0 1 385.457 0.985 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575144041 952161072 /nfs/dbraw/zinc/16/10/72/952161072.db2.gz FSVMCSNVVJDLLF-JTQLQIEISA-N 0 1 383.416 0.907 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575143994 952161680 /nfs/dbraw/zinc/16/16/80/952161680.db2.gz FFCRNLGHPKLELP-JTQLQIEISA-N 0 1 380.416 0.319 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575144199 952163275 /nfs/dbraw/zinc/16/32/75/952163275.db2.gz GYNYTXHTKQYJQV-LBPRGKRZSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)C1CCOCC1 ZINC001575144319 952163812 /nfs/dbraw/zinc/16/38/12/952163812.db2.gz UZDLRXUVDYHXDT-LBPRGKRZSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575144391 952166377 /nfs/dbraw/zinc/16/63/77/952166377.db2.gz IEDPIQZEWRMGBZ-ZETCQYMHSA-N 0 1 379.331 0.577 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575144448 952166656 /nfs/dbraw/zinc/16/66/56/952166656.db2.gz VSESBXJKEZSNTF-QWRGUYRKSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575144621 952169060 /nfs/dbraw/zinc/16/90/60/952169060.db2.gz JPVPZYNTCYRXAV-ACJLOTCBSA-N 0 1 387.444 0.186 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC001575144762 952170551 /nfs/dbraw/zinc/17/05/51/952170551.db2.gz XWCWZBYIQLCQNY-WTANOLMUSA-N 0 1 398.471 0.591 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575144705 952171096 /nfs/dbraw/zinc/17/10/96/952171096.db2.gz XLWFCUOBGLQIHE-ZDUSSCGKSA-N 0 1 388.476 0.934 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575144831 952172094 /nfs/dbraw/zinc/17/20/94/952172094.db2.gz MNAPWXQJCLZAKL-SNVBAGLBSA-N 0 1 380.416 0.319 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575144901 952173686 /nfs/dbraw/zinc/17/36/86/952173686.db2.gz NOPIKVHCFQRQID-NWDGAFQWSA-N 0 1 381.444 0.786 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575145013 952177331 /nfs/dbraw/zinc/17/73/31/952177331.db2.gz OEUJNPPKWMVAPR-CHWSQXEVSA-N 0 1 381.444 0.402 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C2CCC2)c1 ZINC001575145103 952178177 /nfs/dbraw/zinc/17/81/77/952178177.db2.gz PYXGBKUFWJANQK-LLVKDONJSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn2ccccc2n1 ZINC001575145108 952178276 /nfs/dbraw/zinc/17/82/76/952178276.db2.gz QAPTVTWTVOQTBL-NSHDSACASA-N 0 1 378.400 0.299 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575145194 952180726 /nfs/dbraw/zinc/18/07/26/952180726.db2.gz SBHJERSWMOLPAZ-MRXNPFEDSA-N 0 1 386.441 0.856 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575145533 952185461 /nfs/dbraw/zinc/18/54/61/952185461.db2.gz ZMEUZHZDUYSYPX-MRVPVSSYSA-N 0 1 392.374 0.322 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575145496 952185981 /nfs/dbraw/zinc/18/59/81/952185981.db2.gz YSDKLVWQBFSBTO-OLZOCXBDSA-N 0 1 381.444 0.402 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575145612 952187241 /nfs/dbraw/zinc/18/72/41/952187241.db2.gz BBOLEYQKIODZKJ-NSHDSACASA-N 0 1 381.444 0.478 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575145988 952189682 /nfs/dbraw/zinc/18/96/82/952189682.db2.gz FGWBNXOSVDYEBW-JTQLQIEISA-N 0 1 375.824 0.493 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1N(C)C ZINC001575146200 952191231 /nfs/dbraw/zinc/19/12/31/952191231.db2.gz HWMCURODKDQPKA-GFCCVEGCSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575146054 952191276 /nfs/dbraw/zinc/19/12/76/952191276.db2.gz GZPDOZXEVWCWGX-GFCCVEGCSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1cn2ccccc2n1 ZINC001575146262 952192921 /nfs/dbraw/zinc/19/29/21/952192921.db2.gz JLOOMTNWHVDZCG-CYBMUJFWSA-N 0 1 391.439 0.833 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnn1CC(F)F ZINC001575146577 952195813 /nfs/dbraw/zinc/19/58/13/952195813.db2.gz LQBFPRBMKGBYSM-SNVBAGLBSA-N 0 1 391.386 0.718 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cn1cc(C2CC2)nn1 ZINC001575146797 952197045 /nfs/dbraw/zinc/19/70/45/952197045.db2.gz NUNIDIYRAJHYQG-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575147408 952199689 /nfs/dbraw/zinc/19/96/89/952199689.db2.gz SNAJUQAEXHJISA-SECBINFHSA-N 0 1 377.359 0.848 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001575147760 952201233 /nfs/dbraw/zinc/20/12/33/952201233.db2.gz VVPBHQLKBCOARB-NSHDSACASA-N 0 1 384.448 0.603 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)COCc1cccnc1 ZINC001575147469 952201395 /nfs/dbraw/zinc/20/13/95/952201395.db2.gz UQCBXCULIMXWHF-ZDUSSCGKSA-N 0 1 382.428 0.554 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ncc2ccccn21 ZINC001575148165 952202360 /nfs/dbraw/zinc/20/23/60/952202360.db2.gz YHHISRQRIRJRGD-LBPRGKRZSA-N 0 1 377.412 0.904 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCNC(=O)C(C)(C)C ZINC001575148138 952202467 /nfs/dbraw/zinc/20/24/67/952202467.db2.gz XXVFUQJFKYVFHM-GFCCVEGCSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@](CNc1cnc(-c2nn[nH]n2)cn1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575153182 952206845 /nfs/dbraw/zinc/20/68/45/952206845.db2.gz DSHNDINLXJRAFM-MRXNPFEDSA-N 0 1 383.420 0.104 20 0 GCADMN C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575153629 952211136 /nfs/dbraw/zinc/21/11/36/952211136.db2.gz IWYIZXNYMUKAIL-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575153629 952211141 /nfs/dbraw/zinc/21/11/41/952211141.db2.gz IWYIZXNYMUKAIL-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575158333 952271346 /nfs/dbraw/zinc/27/13/46/952271346.db2.gz SZNWTSNGOGRMGP-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575158333 952271349 /nfs/dbraw/zinc/27/13/49/952271349.db2.gz SZNWTSNGOGRMGP-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001575178351 952405925 /nfs/dbraw/zinc/40/59/25/952405925.db2.gz OVWKATSCBUYPMR-HNNXBMFYSA-N 0 1 376.808 0.222 20 0 GCADMN C[C@@H](Cc1ccco1)C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575197316 952481735 /nfs/dbraw/zinc/48/17/35/952481735.db2.gz SVPUVCPZLWTITK-FZMZJTMJSA-N 0 1 382.428 0.857 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3C[C@H](O)C[C@H](C)C3)CC2)o1 ZINC001571118736 952489094 /nfs/dbraw/zinc/48/90/94/952489094.db2.gz ZPEDMAYGANJTNH-GXFFZTMASA-N 0 1 375.433 0.609 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575199622 952489352 /nfs/dbraw/zinc/48/93/52/952489352.db2.gz DLVVNTKGCBWXHL-QWHCGFSZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575199543 952489885 /nfs/dbraw/zinc/48/98/85/952489885.db2.gz CUFRFUQBJCPHJI-YUSALJHKSA-N 0 1 383.416 0.174 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575199923 952490657 /nfs/dbraw/zinc/49/06/57/952490657.db2.gz FVCOWCJHZRVMCQ-OCCSQVGLSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575199985 952491268 /nfs/dbraw/zinc/49/12/68/952491268.db2.gz GLESLPOTIJTKEY-JQWIXIFHSA-N 0 1 385.407 0.698 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001575200011 952491439 /nfs/dbraw/zinc/49/14/39/952491439.db2.gz GWPOGXDIHNSUAL-IJLUTSLNSA-N 0 1 382.432 0.565 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001575200013 952491696 /nfs/dbraw/zinc/49/16/96/952491696.db2.gz GWPOGXDIHNSUAL-SRVKXCTJSA-N 0 1 382.432 0.565 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](CNc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001575200239 952494268 /nfs/dbraw/zinc/49/42/68/952494268.db2.gz BFBYJRRNZUUNTG-NWDGAFQWSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575200380 952495285 /nfs/dbraw/zinc/49/52/85/952495285.db2.gz IZRIDAGEASAYCQ-OLZOCXBDSA-N 0 1 383.460 0.555 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001575200438 952495480 /nfs/dbraw/zinc/49/54/80/952495480.db2.gz JNCMFKVGULGZDK-SNVBAGLBSA-N 0 1 383.416 0.175 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)Cc1cnn(C)c1 ZINC001575200382 952495713 /nfs/dbraw/zinc/49/57/13/952495713.db2.gz IZRIDAGEASAYCQ-QWHCGFSZSA-N 0 1 383.460 0.555 20 0 GCADMN C[C@H](Cc1cnn(C)c1)C(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575200378 952495788 /nfs/dbraw/zinc/49/57/88/952495788.db2.gz IZRIDAGEASAYCQ-CHWSQXEVSA-N 0 1 383.460 0.555 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[nH]n2)cn1 ZINC001575200620 952496631 /nfs/dbraw/zinc/49/66/31/952496631.db2.gz DNIXLXMPYFHDSZ-DRZSPHRISA-N 0 1 380.416 0.048 20 0 GCADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccn(C(F)F)n1 ZINC001571119941 952497108 /nfs/dbraw/zinc/49/71/08/952497108.db2.gz HHYACGDVEXMJJD-MRVPVSSYSA-N 0 1 376.331 0.257 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575201094 952500514 /nfs/dbraw/zinc/50/05/14/952500514.db2.gz NILZYOMCOXAZEW-ZYHUDNBSSA-N 0 1 383.416 0.127 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575201171 952502091 /nfs/dbraw/zinc/50/20/91/952502091.db2.gz HKOCJZDSRITDTE-WDEREUQCSA-N 0 1 383.416 0.127 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](Nc1ccc(-c2nn[nH]n2)nn1)C1CC1 ZINC001575201224 952502394 /nfs/dbraw/zinc/50/23/94/952502394.db2.gz OGFGMQUQZVXUPN-IINYFYTJSA-N 0 1 382.432 0.565 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001575201835 952508735 /nfs/dbraw/zinc/50/87/35/952508735.db2.gz RAWCSDRTHKJLGZ-NSHDSACASA-N 0 1 382.432 0.344 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCN(c1ccc(-c2nn[nH]n2)nn1)C1CC1 ZINC001575202190 952511269 /nfs/dbraw/zinc/51/12/69/952511269.db2.gz SWNHNBDLMZHVIC-LLVKDONJSA-N 0 1 382.432 0.344 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575202276 952512260 /nfs/dbraw/zinc/51/22/60/952512260.db2.gz VBXFVZYZMAFFHB-WDEREUQCSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)C1CC1 ZINC001575202528 952513412 /nfs/dbraw/zinc/51/34/12/952513412.db2.gz OXZUDDWONXEOQM-HZMBPMFUSA-N 0 1 382.432 0.565 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[nH]n1 ZINC001575202553 952514653 /nfs/dbraw/zinc/51/46/53/952514653.db2.gz PKZYZPCWTPGYIZ-XBFCOCLRSA-N 0 1 379.428 0.653 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](C)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575202701 952515554 /nfs/dbraw/zinc/51/55/54/952515554.db2.gz XPCCNFLLBOWTHC-MNOVXSKESA-N 0 1 385.432 0.373 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575202754 952515950 /nfs/dbraw/zinc/51/59/50/952515950.db2.gz XUMLPLRUMJXKFE-QWHCGFSZSA-N 0 1 381.444 0.806 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CNc1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001575203277 952519485 /nfs/dbraw/zinc/51/94/85/952519485.db2.gz SMXYDNSFSKMRNM-GXFFZTMASA-N 0 1 382.432 0.565 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)CCCN(C)c1ccc(-c2nn[nH]n2)nn1 ZINC001575203317 952519526 /nfs/dbraw/zinc/51/95/26/952519526.db2.gz TYQYVRKKHWMUAO-LBPRGKRZSA-N 0 1 384.448 0.543 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575203270 952520046 /nfs/dbraw/zinc/52/00/46/952520046.db2.gz SMMPLWDJEZRMIP-JTQLQIEISA-N 0 1 383.416 0.080 20 0 GCADMN CC[C@H](SC)C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001571121678 952520309 /nfs/dbraw/zinc/52/03/09/952520309.db2.gz BKJRWFSSQGSZGC-WDEREUQCSA-N 0 1 376.490 0.869 20 0 GCADMN Cc1nsc(N2CC[C@H](NC(=O)[C@H]3CCCCN3C)C2)c1-c1nn[nH]n1 ZINC001571121642 952520867 /nfs/dbraw/zinc/52/08/67/952520867.db2.gz BEBCRIHFJNYWNS-NWDGAFQWSA-N 0 1 376.490 0.811 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)C1CC(Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001575203529 952524085 /nfs/dbraw/zinc/52/40/85/952524085.db2.gz ZERCXVHHILRFQA-ZBOXLXRLSA-N 0 1 382.432 0.660 20 0 GCADMN CS[C@H](C)C(=O)N1CCC(CCNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571122839 952527599 /nfs/dbraw/zinc/52/75/99/952527599.db2.gz MKACYOXDHAFQGO-LLVKDONJSA-N 0 1 376.490 0.871 20 0 GCADMN C[C@H](Cc1cnn(C)c1)C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575206618 952530367 /nfs/dbraw/zinc/53/03/67/952530367.db2.gz KJYPMXIQHMCVHP-MRVWCRGKSA-N 0 1 381.444 0.355 20 0 GCADMN O=C([C@@H]1Cc2ccccc2O1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571124483 952539881 /nfs/dbraw/zinc/53/98/81/952539881.db2.gz KNDISLDFOACKCT-GUYCJALGSA-N 0 1 377.408 0.700 20 0 GCADMN CC(F)(F)C1(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC1 ZINC001575221665 952570099 /nfs/dbraw/zinc/57/00/99/952570099.db2.gz APJHFENBTNJDOZ-SNVBAGLBSA-N 0 1 378.387 0.821 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001575221676 952570424 /nfs/dbraw/zinc/57/04/24/952570424.db2.gz ARSPPRUFVZEZES-VIFPVBQESA-N 0 1 386.428 0.930 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001575221676 952570427 /nfs/dbraw/zinc/57/04/27/952570427.db2.gz ARSPPRUFVZEZES-VIFPVBQESA-N 0 1 386.428 0.930 20 0 GCADMN Cc1cccnc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571128862 952571415 /nfs/dbraw/zinc/57/14/15/952571415.db2.gz 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O=C(c1ccnnc1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571136132 952613403 /nfs/dbraw/zinc/61/34/03/952613403.db2.gz MUVXQHSRYTZZKP-CHWSQXEVSA-N 0 1 378.400 0.188 20 0 GCADMN O=C(Cn1ccc(-c2nn[nH]n2)cc1=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC001571140015 952622643 /nfs/dbraw/zinc/62/26/43/952622643.db2.gz NELVRQMDQPQRLZ-UHFFFAOYSA-N 0 1 379.380 0.559 20 0 GCADMN O=C(NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1cn2c(n1)CCC2 ZINC001571146044 952647288 /nfs/dbraw/zinc/64/72/88/952647288.db2.gz AVYAVIXFWYVYGQ-UHFFFAOYSA-N 0 1 379.428 0.803 20 0 GCADMN O=C(Cn1cc(C2CC2)cn1)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571146543 952650441 /nfs/dbraw/zinc/65/04/41/952650441.db2.gz IDWUOLCFWOROJW-HDJSIYSDSA-N 0 1 379.428 0.517 20 0 GCADMN CN(C)c1ncccc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571146794 952653373 /nfs/dbraw/zinc/65/33/73/952653373.db2.gz CGYBPIFUNSNTKE-LBPRGKRZSA-N 0 1 379.428 0.471 20 0 GCADMN O=C(c1ccc[nH]1)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571147436 952661760 /nfs/dbraw/zinc/66/17/60/952661760.db2.gz YCEAZARMBOVXDV-SGTLLEGYSA-N 0 1 379.428 0.761 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccnc2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571147531 952662782 /nfs/dbraw/zinc/66/27/82/952662782.db2.gz NDCVORTYHVZZHX-OCCSQVGLSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H]1CN(C(=O)c2ccncn2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571147792 952663606 /nfs/dbraw/zinc/66/36/06/952663606.db2.gz QGUQXEREMJSBOQ-STQMWFEESA-N 0 1 379.428 0.684 20 0 GCADMN CCn1ccnc1C(=O)NC[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001571147947 952664697 /nfs/dbraw/zinc/66/46/97/952664697.db2.gz RYZANUIKNJZIRP-DEZZGGKRSA-N 0 1 379.428 0.590 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ncccn1 ZINC001571148018 952665515 /nfs/dbraw/zinc/66/55/15/952665515.db2.gz TTXPBQTXXYYAQQ-JSGCOSHPSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@H](C(=O)Nc1cccc(F)c1S(C)(=O)=O)n1cnc(-c2nn[nH]n2)n1 ZINC001571153570 952685978 /nfs/dbraw/zinc/68/59/78/952685978.db2.gz QWVIWUFINHMVAP-SSDOTTSWSA-N 0 1 380.365 0.201 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1cccnc1 ZINC001571155013 952691192 /nfs/dbraw/zinc/69/11/92/952691192.db2.gz DTKHRNFOLMYFHJ-WFASDCNBSA-N 0 1 380.412 0.559 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571155007 952691260 /nfs/dbraw/zinc/69/12/60/952691260.db2.gz DPXNRDABXNTBAE-QWHCGFSZSA-N 0 1 380.412 0.559 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1cccnc1 ZINC001571155012 952691404 /nfs/dbraw/zinc/69/14/04/952691404.db2.gz DTKHRNFOLMYFHJ-SWLSCSKDSA-N 0 1 380.412 0.559 20 0 GCADMN Cc1cnccc1C(=O)N1CC[C@H](N=c2cc[nH]c(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001571156055 952700809 /nfs/dbraw/zinc/70/08/09/952700809.db2.gz BVUGCAJMKTZWNL-JSGCOSHPSA-N 0 1 379.428 0.745 20 0 GCADMN Cc1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nn1 ZINC001571156064 952700831 /nfs/dbraw/zinc/70/08/31/952700831.db2.gz BYUWEFCMETVKIV-QWHCGFSZSA-N 0 1 379.428 0.887 20 0 GCADMN Cc1cc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c(C)nn1 ZINC001571156801 952704402 /nfs/dbraw/zinc/70/44/02/952704402.db2.gz JXINKCWLXSFXGR-CYBMUJFWSA-N 0 1 379.428 0.925 20 0 GCADMN Cc1cc(NCC2CC(NC(=O)c3ccnnc3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156732 952704643 /nfs/dbraw/zinc/70/46/43/952704643.db2.gz IEGTUQPWSFDLRU-UHFFFAOYSA-N 0 1 379.428 0.711 20 0 GCADMN Cc1cc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c(C)nn1 ZINC001571156802 952704649 /nfs/dbraw/zinc/70/46/49/952704649.db2.gz JXINKCWLXSFXGR-ZDUSSCGKSA-N 0 1 379.428 0.925 20 0 GCADMN Cc1cc(NCC[C@H]2CCN(C(=O)c3cnccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156737 952704840 /nfs/dbraw/zinc/70/48/40/952704840.db2.gz IIFTWZIVJYLCDC-ZDUSSCGKSA-N 0 1 379.428 0.746 20 0 GCADMN COc1ccncc1CC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571158246 952709717 /nfs/dbraw/zinc/70/97/17/952709717.db2.gz FVTODBCWUXHODW-BETUJISGSA-N 0 1 380.412 0.389 20 0 GCADMN COc1cc(C)ccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571158209 952710121 /nfs/dbraw/zinc/71/01/21/952710121.db2.gz DVAMVQCFQZVXNM-GFCCVEGCSA-N 0 1 380.412 0.722 20 0 GCADMN Cc1cc(=O)c(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571158482 952712185 /nfs/dbraw/zinc/71/21/85/952712185.db2.gz JGIAZOWVZQDVLJ-GFCCVEGCSA-N 0 1 380.412 0.576 20 0 GCADMN Cc1cc(N[C@H]2CCCN(C(=O)c3ncccc3[O-])C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158655 952713784 /nfs/dbraw/zinc/71/37/84/952713784.db2.gz LPYIJDGZDQYXHZ-LBPRGKRZSA-N 0 1 380.412 0.809 20 0 GCADMN Cc1cc(NC[C@H]2CCN(C(=O)c3ncccc3[O-])C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158697 952713926 /nfs/dbraw/zinc/71/39/26/952713926.db2.gz MSYQRJIOGSQFQK-GFCCVEGCSA-N 0 1 380.412 0.667 20 0 GCADMN Cc1cc(CC(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)no1 ZINC001571158725 952714781 /nfs/dbraw/zinc/71/47/81/952714781.db2.gz NLWIVCGTIUDGRW-HALDLXJZSA-N 0 1 380.412 0.660 20 0 GCADMN Cc1cnc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@H]2C)cn1 ZINC001571158868 952714986 /nfs/dbraw/zinc/71/49/86/952714986.db2.gz SQYSAWAROZQORG-TZMCWYRMSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)c3cc[nH]c(=O)c3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159475 952719555 /nfs/dbraw/zinc/71/95/55/952719555.db2.gz VZRMRYHICUCPRR-BMIGLBTASA-N 0 1 380.412 0.665 20 0 GCADMN Cc1cc(NCC[C@@H]2CCN(C(=O)c3cccnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159791 952721607 /nfs/dbraw/zinc/72/16/07/952721607.db2.gz WWLXITWHAPMUPD-CYBMUJFWSA-N 0 1 379.428 0.746 20 0 GCADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O)c1cnccn1 ZINC001571160572 952727044 /nfs/dbraw/zinc/72/70/44/952727044.db2.gz JKHPXIJBMACYJT-HOCLYGCPSA-N 0 1 380.412 0.022 20 0 GCADMN O=C(Cc1cnoc1)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571160842 952728402 /nfs/dbraw/zinc/72/84/02/952728402.db2.gz MWXNZFNZSZSAKP-SFHVURJKSA-N 0 1 380.412 0.921 20 0 GCADMN O=C(c1ccccc1O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571160808 952728461 /nfs/dbraw/zinc/72/84/61/952728461.db2.gz MFRUMTRTVMVNNU-LBPRGKRZSA-N 0 1 380.412 0.891 20 0 GCADMN O=C(Cc1ccoc1)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571161036 952729355 /nfs/dbraw/zinc/72/93/55/952729355.db2.gz PCTCGVFDYYGVJS-UHFFFAOYSA-N 0 1 380.412 0.754 20 0 GCADMN Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571161820 952735487 /nfs/dbraw/zinc/73/54/87/952735487.db2.gz BGFJUWPOJNJNPQ-NWDGAFQWSA-N 0 1 380.416 0.429 20 0 GCADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cnn2c1CCC2 ZINC001571162021 952737785 /nfs/dbraw/zinc/73/77/85/952737785.db2.gz IAHLWDBYVPKFSJ-ZYHUDNBSSA-N 0 1 380.416 0.054 20 0 GCADMN C[C@@H]1CN(C(=O)c2nccnc2N)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571162679 952744822 /nfs/dbraw/zinc/74/48/22/952744822.db2.gz XTEGANOZRUCEIN-ZYHUDNBSSA-N 0 1 380.416 0.019 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)c2ncccn2)CC1 ZINC001571162639 952745305 /nfs/dbraw/zinc/74/53/05/952745305.db2.gz XBMPROXFPVEPNF-LLVKDONJSA-N 0 1 380.416 0.221 20 0 GCADMN Cn1cnc(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)c1 ZINC001571165011 952746339 /nfs/dbraw/zinc/74/63/39/952746339.db2.gz AWYVMJNPUVGXMW-KRWDZBQOSA-N 0 1 380.416 0.133 20 0 GCADMN O=C(CCc1cnc[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[nH]n2)cn1 ZINC001571165191 952748791 /nfs/dbraw/zinc/74/87/91/952748791.db2.gz FJKYNZULLBJYEE-BETUJISGSA-N 0 1 380.416 0.192 20 0 GCADMN O=C(CCc1c[nH]nn1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[nH]n2)cn1 ZINC001571165463 952750615 /nfs/dbraw/zinc/75/06/15/952750615.db2.gz HHJCJMSIMZRDJV-OKILXGFUSA-N 0 1 380.416 0.192 20 0 GCADMN O=C(CCc1cnn[nH]1)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[nH]n2)cn1 ZINC001571165463 952750616 /nfs/dbraw/zinc/75/06/16/952750616.db2.gz HHJCJMSIMZRDJV-OKILXGFUSA-N 0 1 380.416 0.192 20 0 GCADMN Cc1ncncc1C(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571166103 952758653 /nfs/dbraw/zinc/75/86/53/952758653.db2.gz NODXTRJWIOIOJT-YPMHNXCESA-N 0 1 380.416 0.188 20 0 GCADMN Cc1ncncc1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571166584 952763252 /nfs/dbraw/zinc/76/32/52/952763252.db2.gz TZKSQHKCSYKRSU-GFCCVEGCSA-N 0 1 380.416 0.544 20 0 GCADMN C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571170138 952784125 /nfs/dbraw/zinc/78/41/25/952784125.db2.gz DNEMXBSZKRGWMW-GXFFZTMASA-N 0 1 381.400 0.142 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571171607 952795237 /nfs/dbraw/zinc/79/52/37/952795237.db2.gz TYVWSQMDWPLFKX-GHMZBOCLSA-N 0 1 381.400 0.142 20 0 GCADMN Cc1nn(C)c(NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)c1Br ZINC001571171976 952800009 /nfs/dbraw/zinc/80/00/09/952800009.db2.gz KBKOHAMNMKWCDR-LURJTMIESA-N 0 1 381.198 0.462 20 0 GCADMN O=S(=O)(NC1(c2nnc[nH]2)CCC1)c1cccc(-c2nn[nH]n2)c1Cl ZINC001571172403 952806696 /nfs/dbraw/zinc/80/66/96/952806696.db2.gz VFSJVRQCEOVBHU-UHFFFAOYSA-N 0 1 380.821 0.996 20 0 GCADMN O=C([C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571172574 952808529 /nfs/dbraw/zinc/80/85/29/952808529.db2.gz XOVAPVJIAXNIHN-WMKFIOFKSA-N 0 1 380.456 0.774 20 0 GCADMN Cn1ccc(CC(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)n1 ZINC001571172831 952809767 /nfs/dbraw/zinc/80/97/67/952809767.db2.gz YOCBWTAKNACRLS-QGZVFWFLSA-N 0 1 380.456 0.924 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174584 952811382 /nfs/dbraw/zinc/81/13/82/952811382.db2.gz BBHOOBSKRWQZHT-OTYXRUKQSA-N 0 1 381.400 0.060 20 0 GCADMN COc1cncc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571174782 952814634 /nfs/dbraw/zinc/81/46/34/952814634.db2.gz IAVNGFAIVZMEIR-NSHDSACASA-N 0 1 381.400 0.377 20 0 GCADMN COc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001571175417 952820444 /nfs/dbraw/zinc/82/04/44/952820444.db2.gz UQSRYYNGRUMHPI-QMTHXVAHSA-N 0 1 381.400 0.055 20 0 GCADMN O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1)c1ccon1 ZINC001571175349 952820978 /nfs/dbraw/zinc/82/09/78/952820978.db2.gz BDFGDHWHGXGNPS-GRYCIOLGSA-N 0 1 381.400 0.680 20 0 GCADMN Cc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(=O)[nH]1 ZINC001571175606 952824108 /nfs/dbraw/zinc/82/41/08/952824108.db2.gz WXJROUJXKHRNQC-BXKDBHETSA-N 0 1 381.400 0.060 20 0 GCADMN Cc1conc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571175965 952828518 /nfs/dbraw/zinc/82/85/18/952828518.db2.gz KBAQYZOHISCIGE-MNOVXSKESA-N 0 1 381.400 0.528 20 0 GCADMN Cc1conc1C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571176581 952833520 /nfs/dbraw/zinc/83/35/20/952833520.db2.gz VGYXUMRPGOUIIU-NEPJUHHUSA-N 0 1 381.400 0.837 20 0 GCADMN O=C(c1ccon1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571178673 952844303 /nfs/dbraw/zinc/84/43/03/952844303.db2.gz QRMVIMREEMIDSS-YPMHNXCESA-N 0 1 381.400 0.776 20 0 GCADMN O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571179243 952850817 /nfs/dbraw/zinc/85/08/17/952850817.db2.gz ALFMNAZBEMBWCH-QQXDXGJLSA-N 0 1 381.440 0.510 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183502 952879043 /nfs/dbraw/zinc/87/90/43/952879043.db2.gz CDRJWJRNVXUTKD-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cn[nH]c1 ZINC001571183718 952881805 /nfs/dbraw/zinc/88/18/05/952881805.db2.gz IBZOKAZHHKYTON-GXTWGEPZSA-N 0 1 381.444 0.831 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571183872 952884070 /nfs/dbraw/zinc/88/40/70/952884070.db2.gz LLRMMJRCWMIVQF-IUODEOHRSA-N 0 1 381.444 0.901 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571183953 952886138 /nfs/dbraw/zinc/88/61/38/952886138.db2.gz NHDSSXQVSFCHCG-GFCCVEGCSA-N 0 1 381.444 0.852 20 0 GCADMN C[C@@H]1CC[C@@H](NC(=O)c2ncn(C)n2)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571184107 952888124 /nfs/dbraw/zinc/88/81/24/952888124.db2.gz QQQOFCLHIWJQDH-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN CCC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)Cn2cccn2)CC1 ZINC001571184187 952888848 /nfs/dbraw/zinc/88/88/48/952888848.db2.gz SUUDMNBWZLLGAR-UHFFFAOYSA-N 0 1 381.444 0.763 20 0 GCADMN CCc1cc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nn1C ZINC001571184212 952889340 /nfs/dbraw/zinc/88/93/40/952889340.db2.gz UCSKDSBFLLCEGI-NEPJUHHUSA-N 0 1 381.444 0.695 20 0 GCADMN CCn1nncc1C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571185322 952901161 /nfs/dbraw/zinc/90/11/61/952901161.db2.gz KTNQVGOUSBIKGZ-HNNXBMFYSA-N 0 1 381.444 0.825 20 0 GCADMN CCn1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571185400 952901238 /nfs/dbraw/zinc/90/12/38/952901238.db2.gz KZRWACUXVHVMEW-BZNIZROVSA-N 0 1 381.444 0.781 20 0 GCADMN CCn1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571185751 952902949 /nfs/dbraw/zinc/90/29/49/952902949.db2.gz PDQWPSKTDIRYJD-IAQYHMDHSA-N 0 1 381.444 0.781 20 0 GCADMN CCn1ccnc1C(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571185744 952903078 /nfs/dbraw/zinc/90/30/78/952903078.db2.gz PAZNDGCXRVHVJN-UHFFFAOYSA-N 0 1 381.444 0.924 20 0 GCADMN CCn1nncc1C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571185835 952904045 /nfs/dbraw/zinc/90/40/45/952904045.db2.gz QJXZSVVOCZHNFF-UHFFFAOYSA-N 0 1 381.444 0.826 20 0 GCADMN Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cn2cccn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187916 952910296 /nfs/dbraw/zinc/91/02/96/952910296.db2.gz CRHYWRKXTAUJPZ-ZFWWWQNUSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)c2ccn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187928 952910441 /nfs/dbraw/zinc/91/04/41/952910441.db2.gz CYZCRUNXHPDORT-ZIAGYGMSSA-N 0 1 381.444 0.879 20 0 GCADMN Cc1cc(N[C@@H]2CN(C(=O)c3ccnn3C)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187802 952910560 /nfs/dbraw/zinc/91/05/60/952910560.db2.gz CBXYAKSWQXMLOE-OAHLLOKOSA-N 0 1 381.444 0.688 20 0 GCADMN Cc1cc(NCC2CC(NC(=O)[C@H](C)n3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187979 952911409 /nfs/dbraw/zinc/91/14/09/952911409.db2.gz DZXNGIVNWVMQPS-HSBZDZAISA-N 0 1 381.444 0.756 20 0 GCADMN Cc1ncn(C)c1C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571187945 952911614 /nfs/dbraw/zinc/91/16/14/952911614.db2.gz DEOHSHULOILDKF-CYBMUJFWSA-N 0 1 381.444 0.751 20 0 GCADMN Cc1ncn(C)c1C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571188586 952917258 /nfs/dbraw/zinc/91/72/58/952917258.db2.gz DWBBKGNMDLFOBL-UHFFFAOYSA-N 0 1 381.444 0.832 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@@H]([C@H](C)Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571188877 952922001 /nfs/dbraw/zinc/92/20/01/952922001.db2.gz OQODINAAZYHCBM-UONOGXRCSA-N 0 1 381.444 0.538 20 0 GCADMN Cn1cncc1CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571188983 952922972 /nfs/dbraw/zinc/92/29/72/952922972.db2.gz LECBHLQERHGVON-IUODEOHRSA-N 0 1 381.444 0.357 20 0 GCADMN Cc1cc(NC[C@@H]2CC[C@H](NC(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189282 952928253 /nfs/dbraw/zinc/92/82/53/952928253.db2.gz UMEARXBZOQPHOV-KGLIPLIRSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1ncc(C(=O)N[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571189355 952929640 /nfs/dbraw/zinc/92/96/40/952929640.db2.gz QFXIVXAOXIVWCL-QWHCGFSZSA-N 0 1 381.444 0.879 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571189592 952931827 /nfs/dbraw/zinc/93/18/27/952931827.db2.gz XYCBQSALQYUZBJ-HIFRSBDPSA-N 0 1 381.444 0.598 20 0 GCADMN Cc1cnn(CC(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)c1 ZINC001571189645 952932549 /nfs/dbraw/zinc/93/25/49/952932549.db2.gz ZOQQKLUQWXHXKE-IUODEOHRSA-N 0 1 381.444 0.716 20 0 GCADMN O=C(CC(F)(F)F)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571195115 952973323 /nfs/dbraw/zinc/97/33/23/952973323.db2.gz ZIHZSGCSMNMIFA-ZJUUUORDSA-N 0 1 382.350 0.894 20 0 GCADMN O=C(NC1(C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1)c1cnon1 ZINC001571195152 952974629 /nfs/dbraw/zinc/97/46/29/952974629.db2.gz YFVYJIDIUBCSOQ-UHFFFAOYSA-N 0 1 382.388 0.219 20 0 GCADMN Cc1ccc(F)c(CC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571196923 952984420 /nfs/dbraw/zinc/98/44/20/952984420.db2.gz PYXFKNHBEFUCBH-BETUJISGSA-N 0 1 382.403 0.828 20 0 GCADMN COc1ccc(CN2C[C@@H](C)[C@H](NC(=O)c3ccn[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571198512 952990622 /nfs/dbraw/zinc/99/06/22/952990622.db2.gz ALEKHFLGOYFCPT-IAQYHMDHSA-N 0 1 382.428 0.849 20 0 GCADMN O=C([C@H](F)Cc1ccccc1)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571197445 952991113 /nfs/dbraw/zinc/99/11/13/952991113.db2.gz ZZRLCCZLDMJAGN-UONOGXRCSA-N 0 1 382.403 0.672 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001571199006 952994969 /nfs/dbraw/zinc/99/49/69/952994969.db2.gz JWFQWPOACZHCOI-HNNXBMFYSA-N 0 1 382.428 0.945 20 0 GCADMN COc1cc(CN(C)[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)ccn1 ZINC001571199207 952997363 /nfs/dbraw/zinc/99/73/63/952997363.db2.gz NHUZBTMLYVOOIQ-CQSZACIVSA-N 0 1 382.428 0.945 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)c1ccco1 ZINC001571199736 953004434 /nfs/dbraw/zinc/00/44/34/953004434.db2.gz AQDYOLRREZKEGX-APHBMKBZSA-N 0 1 382.424 0.925 20 0 GCADMN O=C(Cc1ncccc1F)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571199967 953006200 /nfs/dbraw/zinc/00/62/00/953006200.db2.gz FNEGRWRVZOTKOJ-GFCCVEGCSA-N 0 1 382.403 0.863 20 0 GCADMN Cc1c[nH]cc1C(=O)NC[C@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571200204 953007758 /nfs/dbraw/zinc/00/77/58/953007758.db2.gz BVBHARGYOUJERB-ZDUSSCGKSA-N 0 1 382.428 0.842 20 0 GCADMN Cc1ccoc1CC(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571200851 953013077 /nfs/dbraw/zinc/01/30/77/953013077.db2.gz GYTMVAZOXQRBKV-QWHCGFSZSA-N 0 1 382.428 0.920 20 0 GCADMN Cc1ncc(CC(=O)N2CCC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)o1 ZINC001571201681 953019674 /nfs/dbraw/zinc/01/96/74/953019674.db2.gz NCHMTIKWSBZEHV-UHFFFAOYSA-N 0 1 382.428 0.934 20 0 GCADMN CC(C)n1ccc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571204697 953032213 /nfs/dbraw/zinc/03/22/13/953032213.db2.gz CCJNQQTXCQSLSA-UHFFFAOYSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)c1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1C ZINC001571204947 953034385 /nfs/dbraw/zinc/03/43/85/953034385.db2.gz DONHQPOWAAIQGG-LLVKDONJSA-N 0 1 382.432 0.262 20 0 GCADMN CC[C@H]1CN(C(=O)c2n[nH]cc2C)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571205600 953039854 /nfs/dbraw/zinc/03/98/54/953039854.db2.gz LMSFJLSKHPZLSC-RYUDHWBXSA-N 0 1 382.432 0.463 20 0 GCADMN CC[C@@H]1CN(C(=O)c2c[nH]c(C)n2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571206181 953048091 /nfs/dbraw/zinc/04/80/91/953048091.db2.gz RZWIXEFHTZQION-VXGBXAGGSA-N 0 1 382.432 0.463 20 0 GCADMN CCc1cc(C(=O)N[C@H]2CC[C@@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571206255 953049103 /nfs/dbraw/zinc/04/91/03/953049103.db2.gz SQCSFRJFMLDHBY-PWSUYJOCSA-N 0 1 382.432 0.730 20 0 GCADMN CCn1nccc1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571206291 953049367 /nfs/dbraw/zinc/04/93/67/953049367.db2.gz FKPXGSDWEOGNCD-UHFFFAOYSA-N 0 1 382.432 0.614 20 0 GCADMN Cc1nc[nH]c1CC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001571206387 953049921 /nfs/dbraw/zinc/04/99/21/953049921.db2.gz GBUQZLDCMXXAIV-LBPRGKRZSA-N 0 1 382.432 0.358 20 0 GCADMN Cc1nc[nH]c1CC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001571206387 953049923 /nfs/dbraw/zinc/04/99/23/953049923.db2.gz GBUQZLDCMXXAIV-LBPRGKRZSA-N 0 1 382.432 0.358 20 0 GCADMN Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571206377 953049996 /nfs/dbraw/zinc/04/99/96/953049996.db2.gz PBPJFPJMXQJWKZ-GOEBONIOSA-N 0 1 382.428 0.263 20 0 GCADMN Cc1ncccc1CN1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571206377 953049998 /nfs/dbraw/zinc/04/99/98/953049998.db2.gz PBPJFPJMXQJWKZ-GOEBONIOSA-N 0 1 382.428 0.263 20 0 GCADMN CCN(C(=O)c1cc(C)nn1C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206443 953050970 /nfs/dbraw/zinc/05/09/70/953050970.db2.gz UQTXGWYQIYWLLY-GFCCVEGCSA-N 0 1 382.432 0.440 20 0 GCADMN CCn1ncc(C(=O)NC[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571206712 953054203 /nfs/dbraw/zinc/05/42/03/953054203.db2.gz JRPAYXOLHWQEFY-TXEJJXNPSA-N 0 1 382.432 0.224 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]2C)n1 ZINC001571206805 953056287 /nfs/dbraw/zinc/05/62/87/953056287.db2.gz KUAPKUYPOPBYLZ-JQWIXIFHSA-N 0 1 382.432 0.899 20 0 GCADMN CCn1cc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c(C)n1 ZINC001571207623 953065197 /nfs/dbraw/zinc/06/51/97/953065197.db2.gz YEZHMMCSHQHOSB-HAQNSBGRSA-N 0 1 382.432 0.224 20 0 GCADMN Cn1nncc1C(=O)N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571210544 953072242 /nfs/dbraw/zinc/07/22/42/953072242.db2.gz RXCMXRBTXGEMCE-UHFFFAOYSA-N 0 1 382.432 0.167 20 0 GCADMN O=C(CCc1nc[nH]n1)N1CCCC[C@@H]1CNc1ncccc1-c1nn[nH]n1 ZINC001571210778 953074348 /nfs/dbraw/zinc/07/43/48/953074348.db2.gz XDUSWHJYOKARMD-GFCCVEGCSA-N 0 1 382.432 0.806 20 0 GCADMN Cc1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1C(C)C ZINC001571211437 953076461 /nfs/dbraw/zinc/07/64/61/953076461.db2.gz AREVSJJMXLAZQC-HAQNSBGRSA-N 0 1 382.432 0.537 20 0 GCADMN Cc1nc(CN2CC[C@H]3[C@@H]2CCCN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001571211499 953077470 /nfs/dbraw/zinc/07/74/70/953077470.db2.gz BYLSEHWJOUGASF-KBPBESRZSA-N 0 1 382.432 0.500 20 0 GCADMN Cc1cc(NC[C@@H]2CCCCN2C(=O)c2cnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211654 953079434 /nfs/dbraw/zinc/07/94/34/953079434.db2.gz DWXXPVAZOUBMJT-LBPRGKRZSA-N 0 1 382.432 0.227 20 0 GCADMN Cc1nn(C)cc1CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211631 953079547 /nfs/dbraw/zinc/07/95/47/953079547.db2.gz DCISMBKDZFQIAZ-CYBMUJFWSA-N 0 1 382.432 0.026 20 0 GCADMN Cc1nc(NC[C@H]2CCCN2C(=O)CCc2nc[nH]n2)ccc1-c1nn[nH]n1 ZINC001571212190 953084542 /nfs/dbraw/zinc/08/45/42/953084542.db2.gz KTMMTTROJSSJAH-GFCCVEGCSA-N 0 1 382.432 0.724 20 0 GCADMN Cc1cc(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571212384 953088008 /nfs/dbraw/zinc/08/80/08/953088008.db2.gz NDVWOAKTVMSJLZ-LBPRGKRZSA-N 0 1 382.432 0.867 20 0 GCADMN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212682 953089163 /nfs/dbraw/zinc/08/91/63/953089163.db2.gz OEHDWAQOJCOJRS-GFCCVEGCSA-N 0 1 382.432 0.064 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](CCNc2ccc(-c3nn[nH]n3)c(C)n2)C1 ZINC001571213198 953093169 /nfs/dbraw/zinc/09/31/69/953093169.db2.gz RUSNJJJWXPANFF-GFCCVEGCSA-N 0 1 382.432 0.961 20 0 GCADMN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571213772 953097499 /nfs/dbraw/zinc/09/74/99/953097499.db2.gz VPDFSSJGTAMCLR-BXKDBHETSA-N 0 1 382.432 0.235 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](C)[C@@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571213834 953097696 /nfs/dbraw/zinc/09/76/96/953097696.db2.gz XLXOTTPAXYWSGO-PWSUYJOCSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571213776 953097893 /nfs/dbraw/zinc/09/78/93/953097893.db2.gz VPDFSSJGTAMCLR-CABZTGNLSA-N 0 1 382.432 0.235 20 0 GCADMN Cc1cc(N2C[C@@H](CNC(=O)c3cn(C)nn3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214184 953100767 /nfs/dbraw/zinc/10/07/67/953100767.db2.gz ZBNGKDJEAHMKHB-ZYHUDNBSSA-N 0 1 382.432 0.201 20 0 GCADMN COC(=O)Nc1ccc(CNC(=O)Cn2ccc(-c3nn[nH]n3)cc2=O)cc1 ZINC001571216847 953104236 /nfs/dbraw/zinc/10/42/36/953104236.db2.gz AVOVLYOOZYEXIV-UHFFFAOYSA-N 0 1 383.368 0.523 20 0 GCADMN CC1(C)CN(C(=O)c2cncc(F)c2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571217949 953112072 /nfs/dbraw/zinc/11/20/72/953112072.db2.gz SSDGLEBNJBYLTJ-LBPRGKRZSA-N 0 1 383.391 0.575 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571218031 953113255 /nfs/dbraw/zinc/11/32/55/953113255.db2.gz KLZMRUBRBYGNEB-BDAKNGLRSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571218031 953113260 /nfs/dbraw/zinc/11/32/60/953113260.db2.gz KLZMRUBRBYGNEB-BDAKNGLRSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571218031 953113262 /nfs/dbraw/zinc/11/32/62/953113262.db2.gz KLZMRUBRBYGNEB-BDAKNGLRSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571218031 953113268 /nfs/dbraw/zinc/11/32/68/953113268.db2.gz KLZMRUBRBYGNEB-BDAKNGLRSA-N 0 1 382.881 0.941 20 0 GCADMN O=C(N[C@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cncc(F)c1 ZINC001571219172 953123775 /nfs/dbraw/zinc/12/37/75/953123775.db2.gz LBOUGSSENYZZNQ-MFKMUULPSA-N 0 1 383.391 0.623 20 0 GCADMN O=C(c1nc[nH]n1)N1CC2(C1)CCN(Cc1ccc(-c3nn[nH]n3)cc1F)C2 ZINC001571219749 953127381 /nfs/dbraw/zinc/12/73/81/953127381.db2.gz RXGNJIBBRKNGDG-UHFFFAOYSA-N 0 1 383.391 0.472 20 0 GCADMN O=C(NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cn1 ZINC001571219920 953127411 /nfs/dbraw/zinc/12/74/11/953127411.db2.gz SXOIEGCGIGYYRI-LBPRGKRZSA-N 0 1 383.391 0.980 20 0 GCADMN CC[C@H]1CN(C(=O)c2ncoc2C)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571222171 953131835 /nfs/dbraw/zinc/13/18/35/953131835.db2.gz DNKSHWFIJQJEAK-RYUDHWBXSA-N 0 1 383.416 0.728 20 0 GCADMN CCCc1nc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571222372 953133850 /nfs/dbraw/zinc/13/38/50/953133850.db2.gz GXRGUBJFGJRKHP-XYPYZODXSA-N 0 1 383.416 0.640 20 0 GCADMN CCc1nc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571222410 953133961 /nfs/dbraw/zinc/13/39/61/953133961.db2.gz HYGHJCAZYHIMAW-GXSJLCMTSA-N 0 1 383.416 0.510 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ccon2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222427 953135072 /nfs/dbraw/zinc/13/50/72/953135072.db2.gz FEMMHZMGIXNZNT-YPMHNXCESA-N 0 1 383.416 0.348 20 0 GCADMN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)on1 ZINC001571222661 953136959 /nfs/dbraw/zinc/13/69/59/953136959.db2.gz KQWTUFFQTHTKAB-ZYHUDNBSSA-N 0 1 383.416 0.763 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001571223617 953146396 /nfs/dbraw/zinc/14/63/96/953146396.db2.gz XRESSCXWAXIIEP-UHFFFAOYSA-N 0 1 383.416 0.650 20 0 GCADMN COc1c(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)cnn1C ZINC001571223811 953147071 /nfs/dbraw/zinc/14/70/71/953147071.db2.gz XSMVFTDFYAIAHG-UHFFFAOYSA-N 0 1 383.416 0.141 20 0 GCADMN O=C(C[C@@H]1COC(=O)C1)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571224141 953149695 /nfs/dbraw/zinc/14/96/95/953149695.db2.gz ZANPFJXHMAZVSR-RWMBFGLXSA-N 0 1 383.412 0.110 20 0 GCADMN Cc1conc1C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571224696 953150862 /nfs/dbraw/zinc/15/08/62/953150862.db2.gz DELVYFUFHWXZCK-GFCCVEGCSA-N 0 1 383.416 0.872 20 0 GCADMN Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571224904 953151122 /nfs/dbraw/zinc/15/11/22/953151122.db2.gz GFLVNOKJIIOQJY-IAQYHMDHSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1nnc(CC(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)o1 ZINC001571224925 953151181 /nfs/dbraw/zinc/15/11/81/953151181.db2.gz GSFPOZOFZKZLJP-MFKMUULPSA-N 0 1 383.416 0.588 20 0 GCADMN Cc1nnc(CC(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571224879 953151506 /nfs/dbraw/zinc/15/15/06/953151506.db2.gz FVCUZPKUROTUEA-LBPRGKRZSA-N 0 1 383.416 0.541 20 0 GCADMN Cc1cc(CC(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)[nH]n1 ZINC001571224765 953151575 /nfs/dbraw/zinc/15/15/75/953151575.db2.gz FQTMNQBHFITLRE-PHIMTYICSA-N 0 1 383.416 0.094 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571228259 953162954 /nfs/dbraw/zinc/16/29/54/953162954.db2.gz LXLLWBFGCSGSKT-LBPRGKRZSA-N 0 1 383.416 0.481 20 0 GCADMN Cn1c(C(=O)N[C@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c[nH]c1=O ZINC001571229036 953167734 /nfs/dbraw/zinc/16/77/34/953167734.db2.gz YTXPIPPKSOZXSI-MNOVXSKESA-N 0 1 383.416 0.276 20 0 GCADMN C[C@@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571230202 953174263 /nfs/dbraw/zinc/17/42/63/953174263.db2.gz AEENSRMTYGRYPP-LYMQGIMYSA-N 0 1 383.456 0.902 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001571230276 953175172 /nfs/dbraw/zinc/17/51/72/953175172.db2.gz BZOIOYDWCSHSHR-LCSDZXHASA-N 0 1 383.456 0.615 20 0 GCADMN O=C(c1csc(C2CC2)n1)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571230497 953177791 /nfs/dbraw/zinc/17/77/91/953177791.db2.gz FKDYCYSFSABJTN-UHFFFAOYSA-N 0 1 383.441 0.953 20 0 GCADMN CCN1C[C@@H](C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)CC1=O ZINC001571230544 953177917 /nfs/dbraw/zinc/17/79/17/953177917.db2.gz GBARKPPLSILASB-HNNXBMFYSA-N 0 1 383.456 0.283 20 0 GCADMN CN1C(=O)CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571230741 953179642 /nfs/dbraw/zinc/17/96/42/953179642.db2.gz IXYPRROOBNWBTF-HOTGVXAUSA-N 0 1 383.456 0.568 20 0 GCADMN O=C(c1ccsn1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571230935 953181734 /nfs/dbraw/zinc/18/17/34/953181734.db2.gz NPQPIMUQQJKPKZ-CMPLNLGQSA-N 0 1 383.441 0.854 20 0 GCADMN CN(C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001571231162 953183312 /nfs/dbraw/zinc/18/33/12/953183312.db2.gz URFDYTAPQNUGTI-CVEARBPZSA-N 0 1 383.456 0.378 20 0 GCADMN O=C(c1scnc1C1CC1)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571231103 953183360 /nfs/dbraw/zinc/18/33/60/953183360.db2.gz SFNZWLIMHAIEOM-SNVBAGLBSA-N 0 1 383.441 0.739 20 0 GCADMN CCOC1CC2(C[C@H]2C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571231130 953183652 /nfs/dbraw/zinc/18/36/52/953183652.db2.gz TWHAVBNRYIJPIA-PCPLBYIQSA-N 0 1 383.456 0.948 20 0 GCADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1cnsn1 ZINC001571231488 953185010 /nfs/dbraw/zinc/18/50/10/953185010.db2.gz YDPGWNGSNIJTML-STQMWFEESA-N 0 1 383.441 0.688 20 0 GCADMN O=C(N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C1CCOCC1 ZINC001571232042 953185263 /nfs/dbraw/zinc/18/52/63/953185263.db2.gz AQZCPRFJAHBQID-HZPDHXFCSA-N 0 1 383.456 0.950 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571232410 953186628 /nfs/dbraw/zinc/18/66/28/953186628.db2.gz FCXZCRKQFKJZDX-CQJJVWNLSA-N 0 1 383.460 0.082 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571232410 953186630 /nfs/dbraw/zinc/18/66/30/953186630.db2.gz FCXZCRKQFKJZDX-CQJJVWNLSA-N 0 1 383.460 0.082 20 0 GCADMN O=C([C@H]1CCCC(=O)N1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571232480 953187872 /nfs/dbraw/zinc/18/78/72/953187872.db2.gz GHRSDJVWSOXAFN-MRXNPFEDSA-N 0 1 383.456 0.570 20 0 GCADMN O=C(CN1CCCC1=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571232869 953189027 /nfs/dbraw/zinc/18/90/27/953189027.db2.gz LPMMXXNIOVYDPA-INIZCTEOSA-N 0 1 383.456 0.570 20 0 GCADMN C[C@]1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571233284 953191764 /nfs/dbraw/zinc/19/17/64/953191764.db2.gz QYYMNETYMMDQOJ-UGSOOPFHSA-N 0 1 383.460 0.084 20 0 GCADMN O=C(N1CCCC[C@@H]1CNc1nccnc1-c1nnn[n-]1)C12CC[NH+](CC1)C2 ZINC001571233844 953196996 /nfs/dbraw/zinc/19/69/96/953196996.db2.gz GAJGDDHODRYQLL-CYBMUJFWSA-N 0 1 383.460 0.546 20 0 GCADMN O=C(N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C12CC[NH+](CC1)C2 ZINC001571233844 953196998 /nfs/dbraw/zinc/19/69/98/953196998.db2.gz GAJGDDHODRYQLL-CYBMUJFWSA-N 0 1 383.460 0.546 20 0 GCADMN Cc1cc(C)n(CCN2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n1 ZINC001571233985 953197839 /nfs/dbraw/zinc/19/78/39/953197839.db2.gz JRUPMHXQCBGDKV-UHFFFAOYSA-N 0 1 383.460 0.856 20 0 GCADMN O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1)C12CC[NH+](CC1)C2 ZINC001571234063 953198347 /nfs/dbraw/zinc/19/83/47/953198347.db2.gz MEBCXZARVYEKFK-OLZOCXBDSA-N 0 1 383.460 0.449 20 0 GCADMN O=C(N[C@H]1CCC[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1)C12CC[NH+](CC1)C2 ZINC001571234063 953198349 /nfs/dbraw/zinc/19/83/49/953198349.db2.gz MEBCXZARVYEKFK-OLZOCXBDSA-N 0 1 383.460 0.449 20 0 GCADMN O=C(C[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)N2c1nccnc1-c1nn[n-]n1 ZINC001571234238 953199941 /nfs/dbraw/zinc/19/99/41/953199941.db2.gz QMUWEKRIOUWNGS-OKILXGFUSA-N 0 1 383.460 0.322 20 0 GCADMN C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571234248 953200374 /nfs/dbraw/zinc/20/03/74/953200374.db2.gz QYAZUHDWWROJLS-IHRRRGAJSA-N 0 1 383.460 0.321 20 0 GCADMN C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1 ZINC001571234248 953200376 /nfs/dbraw/zinc/20/03/76/953200376.db2.gz QYAZUHDWWROJLS-IHRRRGAJSA-N 0 1 383.460 0.321 20 0 GCADMN C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571234248 953200377 /nfs/dbraw/zinc/20/03/77/953200377.db2.gz QYAZUHDWWROJLS-IHRRRGAJSA-N 0 1 383.460 0.321 20 0 GCADMN C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1 ZINC001571234248 953200379 /nfs/dbraw/zinc/20/03/79/953200379.db2.gz QYAZUHDWWROJLS-IHRRRGAJSA-N 0 1 383.460 0.321 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571234446 953202452 /nfs/dbraw/zinc/20/24/52/953202452.db2.gz XXNOGOBZAAJQQW-NWANDNLSSA-N 0 1 383.460 0.178 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]21 ZINC001571234446 953202454 /nfs/dbraw/zinc/20/24/54/953202454.db2.gz XXNOGOBZAAJQQW-NWANDNLSSA-N 0 1 383.460 0.178 20 0 GCADMN COc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)ccc1F ZINC001571235208 953210351 /nfs/dbraw/zinc/21/03/51/953210351.db2.gz XAWYNWDERFNDHU-LLVKDONJSA-N 0 1 384.375 0.813 20 0 GCADMN O=C(COc1ccccc1F)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571235405 953212095 /nfs/dbraw/zinc/21/20/95/953212095.db2.gz CQPRLGNURBWYLE-NSHDSACASA-N 0 1 384.375 0.310 20 0 GCADMN COC(=O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001571235412 953212479 /nfs/dbraw/zinc/21/24/79/953212479.db2.gz CVAMNQWXTHHULQ-AAEUAGOBSA-N 0 1 384.400 0.310 20 0 GCADMN C[C@H](C(=O)NCc1ccc(C2(C)OCCO2)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001571235683 953214526 /nfs/dbraw/zinc/21/45/26/953214526.db2.gz NECXNPCVZWBUDC-LLVKDONJSA-N 0 1 384.400 0.555 20 0 GCADMN O=C(c1cnon1)N1C[C@H]2CN(Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]2C1 ZINC001571236138 953215932 /nfs/dbraw/zinc/21/59/32/953215932.db2.gz RSOUTZTYVZTUHO-BETUJISGSA-N 0 1 384.375 0.593 20 0 GCADMN C[C@@H](NC(=O)c1ncn[nH]1)[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571236684 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/nfs/dbraw/zinc/91/88/41/961918841.db2.gz VGAJLGWCHZJYHK-QMTHXVAHSA-N 0 1 375.878 0.951 20 0 GCADMN C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C ZINC001335371768 961918853 /nfs/dbraw/zinc/91/88/53/961918853.db2.gz VGAJLGWCHZJYHK-QMTHXVAHSA-N 0 1 375.878 0.951 20 0 GCADMN O=C([O-])[C@]1(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1c1ccccc1 ZINC001336243466 961956409 /nfs/dbraw/zinc/95/64/09/961956409.db2.gz UOXKPXASCSRPDH-DBXWQHBBSA-N 0 1 387.480 0.768 20 0 GCADMN C[NH+]1CCN(C(=O)N2CCN(C(=O)C3(C(=O)[O-])CCCCCC3)CC2)CC1 ZINC001574029513 961994804 /nfs/dbraw/zinc/99/48/04/961994804.db2.gz IGUMFDBYVSDEPP-UHFFFAOYSA-N 0 1 380.489 0.923 20 0 GCADMN C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001574030223 962007938 /nfs/dbraw/zinc/00/79/38/962007938.db2.gz NFDPVHDLQOFBJR-KSMMKXTCSA-N 0 1 397.472 0.772 20 0 GCADMN CC(C)[N@H+]1CC[C@H](C(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[C@@H](c2cnn(C)c2)C1 ZINC001588922010 962386652 /nfs/dbraw/zinc/38/66/52/962386652.db2.gz VBEUXTBIPBTILR-LJCCNALRSA-N 0 1 390.484 0.794 20 0 GCADMN CC(C)N1CC[NH+](CCCC(=O)Nc2nc3n(c2C(=O)[O-])CCOC3)CC1 ZINC001588923439 962418942 /nfs/dbraw/zinc/41/89/42/962418942.db2.gz ZFWVLPWZHLQEAA-UHFFFAOYSA-N 0 1 379.461 0.856 20 0 GCADMN O=C([O-])[C@@]1([NH+]2CCN(C(=O)c3cccnc3OCC(F)F)CC2)CCOC1 ZINC001350778732 962584444 /nfs/dbraw/zinc/58/44/44/962584444.db2.gz PPYCUSLMBGCZMW-QGZVFWFLSA-N 0 1 385.367 0.727 20 0 GCADMN Cc1cn(C2CCOCC2)nc1C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001354038867 962694203 /nfs/dbraw/zinc/69/42/03/962694203.db2.gz JMUZCHFCLDIUCK-LJQANCHMSA-N 0 1 392.456 0.545 20 0 GCADMN O=C([O-])[C@]1([NH+]2CCN(C(=O)c3ccn(Cc4ccccc4)n3)CC2)CCOC1 ZINC001354062329 962711446 /nfs/dbraw/zinc/71/14/46/962711446.db2.gz ZTCUBWONLKFTIC-FQEVSTJZSA-N 0 1 384.436 0.933 20 0 GCADMN C[C@@H](C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C)CC1 ZINC001517333776 962770095 /nfs/dbraw/zinc/77/00/95/962770095.db2.gz VMJMGTMMGSPYHZ-UWJYYQICSA-N 0 1 388.512 0.858 20 0 GCADMN Cn1nc(C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)cc1C(F)(F)F ZINC001517365782 962777270 /nfs/dbraw/zinc/77/72/70/962777270.db2.gz RBXDIAYDECTDLL-CQSZACIVSA-N 0 1 376.335 0.440 20 0 GCADMN CC(C)CCOCCNC(=O)C[NH+]1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC000650499259 968599586 /nfs/dbraw/zinc/59/95/86/968599586.db2.gz NJEFDBKDAIDXGK-OAHLLOKOSA-N 0 1 383.489 0.563 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@H+](CC)[C@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC000662215653 968755557 /nfs/dbraw/zinc/75/55/57/968755557.db2.gz KTQLYKXXBVEFMV-LLVKDONJSA-N 0 1 383.449 0.479 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](CC)[C@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC000662215653 968755565 /nfs/dbraw/zinc/75/55/65/968755565.db2.gz KTQLYKXXBVEFMV-LLVKDONJSA-N 0 1 383.449 0.479 20 0 GCADMN CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1)C2=O ZINC000842937271 969232179 /nfs/dbraw/zinc/23/21/79/969232179.db2.gz PXYPLHUFKPNIML-NKXNIHSHSA-N 0 1 380.445 0.561 20 0 GCADMN CC1CCC2(CC1)NC(=O)N(NC(=O)C[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1)C2=O ZINC000842937271 969232189 /nfs/dbraw/zinc/23/21/89/969232189.db2.gz PXYPLHUFKPNIML-NKXNIHSHSA-N 0 1 380.445 0.561 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)C[C@H]1C(=O)[O-] ZINC001118238297 969665170 /nfs/dbraw/zinc/66/51/70/969665170.db2.gz CCHAKKDBCVTEDD-BXUZGUMPSA-N 0 1 381.454 0.266 20 0 GCADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC001119091270 969669734 /nfs/dbraw/zinc/66/97/34/969669734.db2.gz ZQRVSOXCQBXUDJ-HXUWFJFHSA-N 0 1 386.452 0.971 20 0 GCADMN COC[C@]1(C(=O)[O-])CCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC001119040180 969669939 /nfs/dbraw/zinc/66/99/39/969669939.db2.gz ILKBSWFSJUNJGL-RKVPGOIHSA-N 0 1 381.473 0.763 20 0 GCADMN O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](CC(=O)NC(=O)Nc3ccccc3)CC2)C1 ZINC001326725111 969705558 /nfs/dbraw/zinc/70/55/58/969705558.db2.gz FQOSJJLAHFISCL-ZDUSSCGKSA-N 0 1 388.424 0.732 20 0 GCADMN C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@H]1C(=O)[O-] ZINC001329041115 969711247 /nfs/dbraw/zinc/71/12/47/969711247.db2.gz JWXVSXRCLFDNNW-HZPDHXFCSA-N 0 1 390.488 0.741 20 0 GCADMN CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@](C)(OC)C(=O)[O-])cc2)CC1 ZINC001333658032 969726013 /nfs/dbraw/zinc/72/60/13/969726013.db2.gz GXYPXZOYVPTLOZ-IBGZPJMESA-N 0 1 377.441 0.821 20 0 GCADMN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](CC(=O)N1CCN(c3ccc(F)cc3)CC1)C2 ZINC001549283971 969796706 /nfs/dbraw/zinc/79/67/06/969796706.db2.gz RPJTZTPHWPRRHS-LIRRHRJNSA-N 0 1 377.416 0.507 20 0 GCADMN C[N@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C[C@H](O)CN1CCOCC1 ZINC001604188764 972618365 /nfs/dbraw/zinc/61/83/65/972618365.db2.gz RAEXQDFLCSSKPL-INIZCTEOSA-N 0 1 381.473 0.706 20 0 GCADMN C[NH+]1CCN(C(=O)C2CCN(C(=O)Nc3ccnc(C(=O)[O-])c3)CC2)CC1 ZINC001604220648 972703307 /nfs/dbraw/zinc/70/33/07/972703307.db2.gz GZCGGTPVXCEECU-UHFFFAOYSA-N 0 1 375.429 0.798 20 0 GCADMN Cc1cc(C[N@H+](C2CC2)[C@H]2CCN(CC(=O)[O-])C2=O)cc(S(N)(=O)=O)c1C ZINC001605165165 972859753 /nfs/dbraw/zinc/85/97/53/972859753.db2.gz AXOJCKWGHQXJBO-HNNXBMFYSA-N 0 1 395.481 0.601 20 0 GCADMN Cc1cc(C[N@@H+](C2CC2)[C@H]2CCN(CC(=O)[O-])C2=O)cc(S(N)(=O)=O)c1C ZINC001605165165 972859761 /nfs/dbraw/zinc/85/97/61/972859761.db2.gz AXOJCKWGHQXJBO-HNNXBMFYSA-N 0 1 395.481 0.601 20 0 GCADMN COC(=O)CC[N@H+](CC(=O)[O-])C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001604310955 972967002 /nfs/dbraw/zinc/96/70/02/972967002.db2.gz JZRHCIRCJQFZPZ-CQSZACIVSA-N 0 1 388.461 0.944 20 0 GCADMN Cc1cn2c(nc(C[NH+]3CCC(N4C[C@H](C(=O)[O-])CC4=O)CC3)cc2=O)s1 ZINC001605367301 973308648 /nfs/dbraw/zinc/30/86/48/973308648.db2.gz WMTPXBUTNKIULO-GFCCVEGCSA-N 0 1 390.465 0.962 20 0 GCADMN C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)[O-] ZINC001603471228 973345503 /nfs/dbraw/zinc/34/55/03/973345503.db2.gz ZXAWTYASXQOHLH-CWRNSKLLSA-N 0 1 375.425 0.078 20 0 GCADMN COC[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCC(=O)N[C@@H](C)c2ccc(F)cc2)C1 ZINC001604542589 973539015 /nfs/dbraw/zinc/53/90/15/973539015.db2.gz YSZSMWLQRUPQFZ-ORAYPTAESA-N 0 1 395.431 0.542 20 0 GCADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](CC(=O)N3CCC4(CC3)OCCO4)C2)cn1 ZINC001605489984 973637576 /nfs/dbraw/zinc/63/75/76/973637576.db2.gz WGGWNTQLDBAACI-GJZGRUSLSA-N 0 1 392.456 0.276 20 0 GCADMN O=C([O-])CS(=O)(=O)CCN1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001606296572 973702676 /nfs/dbraw/zinc/70/26/76/973702676.db2.gz JDSKHVDPHJYMJL-UHFFFAOYSA-N 0 1 384.498 0.710 20 0 GCADMN O=C([O-])CS(=O)(=O)CCN1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001606296572 973702679 /nfs/dbraw/zinc/70/26/79/973702679.db2.gz JDSKHVDPHJYMJL-UHFFFAOYSA-N 0 1 384.498 0.710 20 0 GCADMN Cn1nc(C(=O)[O-])cc1C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC001605538575 973728321 /nfs/dbraw/zinc/72/83/21/973728321.db2.gz AIAUGOZKVACEFS-HNNXBMFYSA-N 0 1 399.451 0.746 20 0 GCADMN Cn1ncc(C(=O)[O-])c1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC001605550663 973767887 /nfs/dbraw/zinc/76/78/87/973767887.db2.gz UIXJOWWJYXAYCY-UHFFFAOYSA-N 0 1 398.407 0.907 20 0 GCADMN O=C([O-])Cn1cccc(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1=O ZINC001606355037 973804984 /nfs/dbraw/zinc/80/49/84/973804984.db2.gz BIPNOXMZEYKRFA-INIZCTEOSA-N 0 1 385.420 0.430 20 0 GCADMN O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001606387970 973837028 /nfs/dbraw/zinc/83/70/28/973837028.db2.gz BYXPZQHBNWJQFX-HOTGVXAUSA-N 0 1 383.470 0.137 20 0 GCADMN CCC1([NH+]2CCOCC2)CCN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC1 ZINC001603616832 973894773 /nfs/dbraw/zinc/89/47/73/973894773.db2.gz BCFQWMFFRORAKL-UHFFFAOYSA-N 0 1 389.518 0.605 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001605628057 973974018 /nfs/dbraw/zinc/97/40/18/973974018.db2.gz UTJXXNPJMDATNM-RDTXWAMCSA-N 0 1 376.413 0.502 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001605628057 973974028 /nfs/dbraw/zinc/97/40/28/973974028.db2.gz UTJXXNPJMDATNM-RDTXWAMCSA-N 0 1 376.413 0.502 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC001605628056 973974191 /nfs/dbraw/zinc/97/41/91/973974191.db2.gz UTJXXNPJMDATNM-KSSFIOAISA-N 0 1 376.413 0.502 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)N[C@@]2(C(=O)[O-])CCOC2)c1 ZINC001605628056 973974200 /nfs/dbraw/zinc/97/42/00/973974200.db2.gz UTJXXNPJMDATNM-KSSFIOAISA-N 0 1 376.413 0.502 20 0 GCADMN O=C([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001606528620 974037278 /nfs/dbraw/zinc/03/72/78/974037278.db2.gz CVLODVNAANXMCN-HNNXBMFYSA-N 0 1 398.481 0.890 20 0 GCADMN O=C([O-])c1ccccc1OCC[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001606528620 974037289 /nfs/dbraw/zinc/03/72/89/974037289.db2.gz CVLODVNAANXMCN-HNNXBMFYSA-N 0 1 398.481 0.890 20 0 GCADMN CCC[NH+]1CCN(C(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC001603674781 974060088 /nfs/dbraw/zinc/06/00/88/974060088.db2.gz YLPSTFQHGAACAN-SFHVURJKSA-N 0 1 385.461 0.631 20 0 GCADMN CCOC(=O)C1(S(C)(=O)=O)CC[NH+](CC2(O)CCC(C(=O)[O-])CC2)CC1 ZINC001603787205 974246220 /nfs/dbraw/zinc/24/62/20/974246220.db2.gz QOUQJGJSIWVNCU-UHFFFAOYSA-N 0 1 391.486 0.435 20 0 GCADMN CCn1c(=O)oc2cc(S(=O)(=O)N3CC[NH+](C(C)(C)C(=O)[O-])CC3)ccc21 ZINC000530141550 974354844 /nfs/dbraw/zinc/35/48/44/974354844.db2.gz YQONPQXYTJUUPT-UHFFFAOYSA-N 0 1 397.453 0.784 20 0 GCADMN CCN(C)C(=O)c1cccc(S(=O)(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)c1 ZINC000530141117 974354939 /nfs/dbraw/zinc/35/49/39/974354939.db2.gz QUVDRBUPIKMFHF-UHFFFAOYSA-N 0 1 397.497 0.948 20 0 GCADMN C[C@@H](C[N@@H+](C)CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)[O-] ZINC000563892817 974541184 /nfs/dbraw/zinc/54/11/84/974541184.db2.gz OCWSOSJMZPPAKH-AWEZNQCLSA-N 0 1 386.470 0.739 20 0 GCADMN C[N@H+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C[C@H](C(=O)[O-])C1 ZINC000575048879 974794031 /nfs/dbraw/zinc/79/40/31/974794031.db2.gz GDVKNMIZBHSMRU-CQSZACIVSA-N 0 1 382.486 0.709 20 0 GCADMN CCC[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])CC[N@H+]1CCOC ZINC000577853851 974843154 /nfs/dbraw/zinc/84/31/54/974843154.db2.gz XERMEGZBNGMXRK-ZDUSSCGKSA-N 0 1 385.486 0.969 20 0 GCADMN CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000578884347 974864017 /nfs/dbraw/zinc/86/40/17/974864017.db2.gz JQQIYBXUYUCRGO-GDBMZVCRSA-N 0 1 386.470 0.480 20 0 GCADMN CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C1 ZINC000578884347 974864020 /nfs/dbraw/zinc/86/40/20/974864020.db2.gz JQQIYBXUYUCRGO-GDBMZVCRSA-N 0 1 386.470 0.480 20 0 GCADMN COC(=O)c1ccc(F)cc1S(=O)(=O)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC000600655989 975002636 /nfs/dbraw/zinc/00/26/36/975002636.db2.gz CNTAVNOTGNNULP-UHFFFAOYSA-N 0 1 388.417 0.782 20 0 GCADMN CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)[NH+]1CCOCC1 ZINC000647579476 975368366 /nfs/dbraw/zinc/36/83/66/975368366.db2.gz VRXDZOABTPIJPD-ARFHVFGLSA-N 0 1 383.489 0.609 20 0 GCADMN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000650505042 975446816 /nfs/dbraw/zinc/44/68/16/975446816.db2.gz ODQGTVODUQXVEL-GXTWGEPZSA-N 0 1 395.481 0.941 20 0 GCADMN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000650505045 975447599 /nfs/dbraw/zinc/44/75/99/975447599.db2.gz ODQGTVODUQXVEL-TZMCWYRMSA-N 0 1 395.481 0.941 20 0 GCADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000659644248 975852455 /nfs/dbraw/zinc/85/24/55/975852455.db2.gz LLKUFLRHOPXSGK-INIZCTEOSA-N 0 1 383.489 0.563 20 0 GCADMN O=C([O-])[C@H]1C[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)Cc2ccccc21 ZINC000662222295 975904731 /nfs/dbraw/zinc/90/47/31/975904731.db2.gz GDWDAIIJSMZLCR-KRWDZBQOSA-N 0 1 381.436 0.809 20 0 GCADMN O=C([O-])[C@H]1C[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)Cc2ccccc21 ZINC000662222295 975904740 /nfs/dbraw/zinc/90/47/40/975904740.db2.gz GDWDAIIJSMZLCR-KRWDZBQOSA-N 0 1 381.436 0.809 20 0 GCADMN COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(CCC(=O)[O-])CC2)CC1 ZINC000662909640 975916006 /nfs/dbraw/zinc/91/60/06/975916006.db2.gz HHWLXWVQIXOQGU-UHFFFAOYSA-N 0 1 383.489 0.659 20 0 GCADMN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)cc1 ZINC001591818278 976056522 /nfs/dbraw/zinc/05/65/22/976056522.db2.gz CIZVZRXUSLRZKJ-HNNXBMFYSA-N 0 1 382.482 0.886 20 0 GCADMN O=C([O-])c1ncsc1S(=O)(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702603694 977096971 /nfs/dbraw/zinc/09/69/71/977096971.db2.gz CFKSKVHVJJIOGZ-INIZCTEOSA-N 0 1 397.478 0.757 20 0 GCADMN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000711740877 977571824 /nfs/dbraw/zinc/57/18/24/977571824.db2.gz LBDSLWHWHBDZBO-GOSISDBHSA-N 0 1 393.465 0.970 20 0 GCADMN CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000711740877 977571829 /nfs/dbraw/zinc/57/18/29/977571829.db2.gz LBDSLWHWHBDZBO-GOSISDBHSA-N 0 1 393.465 0.970 20 0 GCADMN C[C@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001592381966 977921990 /nfs/dbraw/zinc/92/19/90/977921990.db2.gz SGTSWQWTRGPLLL-DOTOQJQBSA-N 0 1 375.469 0.989 20 0 GCADMN C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001592381972 977922001 /nfs/dbraw/zinc/92/20/01/977922001.db2.gz SGTSWQWTRGPLLL-WBVHZDCISA-N 0 1 375.469 0.989 20 0 GCADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 ZINC001592406185 977981336 /nfs/dbraw/zinc/98/13/36/977981336.db2.gz OGCLCLVWBKPNMQ-STQMWFEESA-N 0 1 377.445 0.800 20 0 GCADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cc(C(C)(C)C)nn2C)CC1 ZINC001592406848 977987830 /nfs/dbraw/zinc/98/78/30/977987830.db2.gz XYTPXBGMPLNXMR-LBPRGKRZSA-N 0 1 379.461 0.664 20 0 GCADMN C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC001592513366 978345730 /nfs/dbraw/zinc/34/57/30/978345730.db2.gz FUBMXAGZUVDSNN-HNNXBMFYSA-N 0 1 378.473 0.975 20 0 GCADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2nnc(CCC(=O)[O-])s2)CC1=O ZINC000737114445 978379895 /nfs/dbraw/zinc/37/98/95/978379895.db2.gz JDNYRUDRMHHJHG-VXGBXAGGSA-N 0 1 395.485 0.827 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000738437707 978538648 /nfs/dbraw/zinc/53/86/48/978538648.db2.gz QVYVJQOOFOVEKW-HNNXBMFYSA-N 0 1 381.454 0.488 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000738437707 978538650 /nfs/dbraw/zinc/53/86/50/978538650.db2.gz QVYVJQOOFOVEKW-HNNXBMFYSA-N 0 1 381.454 0.488 20 0 GCADMN C[C@H](CNC(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C[NH+]1CCOCC1 ZINC001592630363 978610846 /nfs/dbraw/zinc/61/08/46/978610846.db2.gz QAXXHCZNVAMCPE-SPYBWZPUSA-N 0 1 381.473 0.174 20 0 GCADMN C[C@H](CNC(=O)C(=O)N1CCO[C@@H](CC(=O)[O-])C1)[N@@H+](C)Cc1ccccc1 ZINC001592630800 978612244 /nfs/dbraw/zinc/61/22/44/978612244.db2.gz VRCLGIKRGRCRJM-ZBFHGGJFSA-N 0 1 377.441 0.325 20 0 GCADMN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1)CN1CC[NH+](C)CC1 ZINC001592630975 978612284 /nfs/dbraw/zinc/61/22/84/978612284.db2.gz XBXMAXZEDDDIBA-JKSUJKDBSA-N 0 1 382.505 0.090 20 0 GCADMN O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000739243732 978623653 /nfs/dbraw/zinc/62/36/53/978623653.db2.gz KRMXPVMPXCZDDK-CVEARBPZSA-N 0 1 375.425 0.684 20 0 GCADMN C[C@@H](CNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592659766 978642584 /nfs/dbraw/zinc/64/25/84/978642584.db2.gz HOAGNIVDGBXOQU-MELADBBJSA-N 0 1 394.476 0.821 20 0 GCADMN C[C@@H](CNC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001592659766 978642586 /nfs/dbraw/zinc/64/25/86/978642586.db2.gz HOAGNIVDGBXOQU-MELADBBJSA-N 0 1 394.476 0.821 20 0 GCADMN C[NH+]1CCN([C@H](C(=O)N2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c2ccccc2)CC1 ZINC000818315323 978910771 /nfs/dbraw/zinc/91/07/71/978910771.db2.gz FYPVDKAALZPQBX-AEFFLSMTSA-N 0 1 398.467 0.738 20 0 GCADMN C[C@H](CC(=O)[O-])N1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000827362172 978956531 /nfs/dbraw/zinc/95/65/31/978956531.db2.gz KDSJFNKHPIYZMI-QGZVFWFLSA-N 0 1 389.500 0.601 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c(=O)[nH]c1=O ZINC000829446599 978998674 /nfs/dbraw/zinc/99/86/74/978998674.db2.gz CZLRCOVBBZJQKE-RYUDHWBXSA-N 0 1 395.460 0.337 20 0 GCADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000829608004 979003372 /nfs/dbraw/zinc/00/33/72/979003372.db2.gz CHDMGTGSRKKFQH-CZUORRHYSA-N 0 1 375.425 0.665 20 0 GCADMN COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC(=O)[O-])cc2C)C1 ZINC000831741278 979034112 /nfs/dbraw/zinc/03/41/12/979034112.db2.gz NEUCDQGLHZMZBB-ZDUSSCGKSA-N 0 1 379.413 0.234 20 0 GCADMN CCC(CC)[C@H](CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C1)[NH+]1CCOCC1 ZINC001595106278 979430689 /nfs/dbraw/zinc/43/06/89/979430689.db2.gz IAKJWYJYRHYXHY-OAGGEKHMSA-N 0 1 399.488 0.639 20 0 GCADMN CCC(CC)N(C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1)C1CC1 ZINC001595115996 979473234 /nfs/dbraw/zinc/47/32/34/979473234.db2.gz JRNWUSKTLNZGSL-LJQANCHMSA-N 0 1 381.473 0.554 20 0 GCADMN C[C@H](Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC001592854766 979656301 /nfs/dbraw/zinc/65/63/01/979656301.db2.gz WHGKWTCJBZKYJP-CQSZACIVSA-N 0 1 377.441 0.727 20 0 GCADMN CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001595173841 979751026 /nfs/dbraw/zinc/75/10/26/979751026.db2.gz FNTJSMHJHUHDMS-MRXNPFEDSA-N 0 1 377.441 0.557 20 0 GCADMN CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C)c(C)c2C(=O)[O-])CC1 ZINC001595174000 979754171 /nfs/dbraw/zinc/75/41/71/979754171.db2.gz KUHKDMCEFZZIBV-CQSZACIVSA-N 0 1 377.441 0.855 20 0 GCADMN C[C@H](Cc1cccc(O)c1)NC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001592885988 979772417 /nfs/dbraw/zinc/77/24/17/979772417.db2.gz WWIBGCHWKQJWGG-AUUYWEPGSA-N 0 1 377.441 0.894 20 0 GCADMN C[C@H](Cn1c(-c2cccnc2)nnc1N1CC[C@H](C(=O)[O-])C1)[NH+]1CCOCC1 ZINC001592918367 979904538 /nfs/dbraw/zinc/90/45/38/979904538.db2.gz JFCLKMUIBRKRCE-ZBFHGGJFSA-N 0 1 386.456 0.972 20 0 GCADMN CC[C@](COC)([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(=O)[O-] ZINC001595195060 979909110 /nfs/dbraw/zinc/90/91/10/979909110.db2.gz OGLOKBHREQXCCT-CQSZACIVSA-N 0 1 393.849 0.395 20 0 GCADMN C[C@](Cn1cccn1)([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)C(N)=O ZINC001592924741 979933393 /nfs/dbraw/zinc/93/33/93/979933393.db2.gz XJKBAPNURYXHCI-QGZVFWFLSA-N 0 1 391.453 0.604 20 0 GCADMN C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)C1 ZINC000871871979 979979034 /nfs/dbraw/zinc/97/90/34/979979034.db2.gz CPRBLPHPMHLAEL-CYBMUJFWSA-N 0 1 385.461 0.924 20 0 GCADMN C[C@@]12CN(C(=O)C(=O)N3CC[C@@H](C(=O)[O-])C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000872183947 980074104 /nfs/dbraw/zinc/07/41/04/980074104.db2.gz MKOMHHNRALOBDD-LLGFUMIMSA-N 0 1 385.464 0.900 20 0 GCADMN C[C@H](NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ncc(C(=O)[O-])s1 ZINC001592972533 980132961 /nfs/dbraw/zinc/13/29/61/980132961.db2.gz YOVZJVAVNQCGOE-TUAOUCFPSA-N 0 1 380.470 0.961 20 0 GCADMN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC001592990815 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20 0 GCADMN C[NH+](C)C[C@@H]1CCN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C1 ZINC000736758976 598899168 /nfs/dbraw/zinc/89/91/68/598899168.db2.gz LQHJZFMSCJFHHP-AWEZNQCLSA-N 0 1 395.471 0.874 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+](CCCNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737747890 598965852 /nfs/dbraw/zinc/96/58/52/598965852.db2.gz YFGFANZHEFHSLF-GFCCVEGCSA-N 0 1 381.444 0.809 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c3ccccc3nnc2-c2nnn[n-]2)C1 ZINC000737747890 598965853 /nfs/dbraw/zinc/96/58/53/598965853.db2.gz YFGFANZHEFHSLF-GFCCVEGCSA-N 0 1 381.444 0.809 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+](CCCNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737747890 598965854 /nfs/dbraw/zinc/96/58/54/598965854.db2.gz YFGFANZHEFHSLF-GFCCVEGCSA-N 0 1 381.444 0.809 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c3ccccc3nnc2-c2nn[n-]n2)C1 ZINC000737747890 598965855 /nfs/dbraw/zinc/96/58/55/598965855.db2.gz YFGFANZHEFHSLF-GFCCVEGCSA-N 0 1 381.444 0.809 20 0 GCADMN CCOC[C@H](O)C[NH+]1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000736608959 598966525 /nfs/dbraw/zinc/96/65/25/598966525.db2.gz NRUVDSVDCAPTGB-CYBMUJFWSA-N 0 1 384.444 0.329 20 0 GCADMN CNS(=O)(=O)C1CCN(CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000736883818 598987272 /nfs/dbraw/zinc/98/72/72/598987272.db2.gz RXNGCPPQUKDTDZ-UHFFFAOYSA-N 0 1 396.473 0.268 20 0 GCADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000737224426 599002636 /nfs/dbraw/zinc/00/26/36/599002636.db2.gz VDWVEUZMYXESJI-ZIAGYGMSSA-N 0 1 378.458 0.317 20 0 GCADMN C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000736769842 599029505 /nfs/dbraw/zinc/02/95/05/599029505.db2.gz UFCBMFWMAAXYQW-UHFFFAOYSA-N 0 1 394.439 0.483 20 0 GCADMN C[NH+](C)CCNC(=O)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000736769842 599029506 /nfs/dbraw/zinc/02/95/06/599029506.db2.gz UFCBMFWMAAXYQW-UHFFFAOYSA-N 0 1 394.439 0.483 20 0 GCADMN CC[S@@](=O)CCNC(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736668318 599060453 /nfs/dbraw/zinc/06/04/53/599060453.db2.gz ZKTGQTSFQIDUQH-HHHXNRCGSA-N 0 1 393.517 0.709 20 0 GCADMN NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000737745398 599072083 /nfs/dbraw/zinc/07/20/83/599072083.db2.gz YCEPGNWWRDNXNU-HOTGVXAUSA-N 0 1 383.456 0.631 20 0 GCADMN NC(=O)[C@H](NCCc1ccc2c(c1)OCCO2)c1ccc(-c2nn[nH]n2)cc1 ZINC000737736381 599087925 /nfs/dbraw/zinc/08/79/25/599087925.db2.gz IURFSHJRTXLEAO-QGZVFWFLSA-N 0 1 380.408 0.997 20 0 GCADMN C[C@@H]1CN(C(C)(C)CN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C[C@@H](C)O1 ZINC000736292293 599088199 /nfs/dbraw/zinc/08/81/99/599088199.db2.gz OIDNJYHVAVSRKZ-IOASZLSFSA-N 0 1 387.488 0.871 20 0 GCADMN NC(=O)[C@H](NCCCNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730795 599100390 /nfs/dbraw/zinc/10/03/90/599100390.db2.gz LVJHPHYXZAWBSG-MRXNPFEDSA-N 0 1 397.414 0.942 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCC2(C(N)=O)CCCC2)cc1-c1nn[nH]n1 ZINC000737186537 599108916 /nfs/dbraw/zinc/10/89/16/599108916.db2.gz JBDILBHDQFWEQU-UHFFFAOYSA-N 0 1 377.430 0.465 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)COC(=O)CCC3CC3)CC2)o1 ZINC000737466901 599143451 /nfs/dbraw/zinc/14/34/51/599143451.db2.gz GROFBZVOSFRWHZ-UHFFFAOYSA-N 0 1 389.416 0.545 20 0 GCADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000736899587 599145688 /nfs/dbraw/zinc/14/56/88/599145688.db2.gz BXNLTUSGQHCJAP-YOEHRIQHSA-N 0 1 386.456 0.735 20 0 GCADMN OC[C@@H](NC[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1c(F)cccc1F ZINC000738388866 599180459 /nfs/dbraw/zinc/18/04/59/599180459.db2.gz IBDANYHOQVNRAR-NOZJJQNGSA-N 0 1 376.371 0.706 20 0 GCADMN CC[C@@H]1CN(C(=O)[C@H](C)Oc2ccccc2-c2nn[nH]n2)CCN1C[C@@H](C)O ZINC000820989424 599187781 /nfs/dbraw/zinc/18/77/81/599187781.db2.gz SDONIDJDBGGJAJ-QLFBSQMISA-N 0 1 388.472 0.938 20 0 GCADMN C[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[C@H]1CN(C)CCO1 ZINC000820437669 607259571 /nfs/dbraw/zinc/25/95/71/607259571.db2.gz BBOBIPPBMCICBX-PRHODGIISA-N 0 1 388.400 0.142 20 0 GCADMN COC(=O)c1cccc(N2CC(=O)N(C[NH+]3CCC(C(=O)[O-])CC3)C2=O)c1 ZINC000818523857 597016251 /nfs/dbraw/zinc/01/62/51/597016251.db2.gz CCYGYJXBGMEWNV-UHFFFAOYSA-N 0 1 375.381 0.996 20 0 GCADMN CC(C)[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000817956619 597037432 /nfs/dbraw/zinc/03/74/32/597037432.db2.gz VHQLDSIPPUSYTC-INIZCTEOSA-N 0 1 377.441 0.725 20 0 GCADMN C[C@@H]1CN2CCCC[C@H]2CN1C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736293172 599243751 /nfs/dbraw/zinc/24/37/51/599243751.db2.gz NPWSVOYECXNFJQ-KGLIPLIRSA-N 0 1 385.476 0.942 20 0 GCADMN COC1CCN(CCNC(=O)C(=O)Nc2cccc(-c3nn[nH]n3)c2C)CC1 ZINC000821679530 607278990 /nfs/dbraw/zinc/27/89/90/607278990.db2.gz BDESHPOUBXNVJG-UHFFFAOYSA-N 0 1 387.444 0.341 20 0 GCADMN C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818113217 597301403 /nfs/dbraw/zinc/30/14/03/597301403.db2.gz MXYAYRMJTXCIMS-YJBOKZPZSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818113217 597301407 /nfs/dbraw/zinc/30/14/07/597301407.db2.gz MXYAYRMJTXCIMS-YJBOKZPZSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818113217 597301412 /nfs/dbraw/zinc/30/14/12/597301412.db2.gz MXYAYRMJTXCIMS-YJBOKZPZSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818113217 597301417 /nfs/dbraw/zinc/30/14/17/597301417.db2.gz MXYAYRMJTXCIMS-YJBOKZPZSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@H](NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1)C(=O)[O-] ZINC000818035077 597320200 /nfs/dbraw/zinc/32/02/00/597320200.db2.gz XJXFNTUTEUUNEX-ZDUSSCGKSA-N 0 1 377.445 0.491 20 0 GCADMN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OC[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000818181035 597453733 /nfs/dbraw/zinc/45/37/33/597453733.db2.gz IHZCCOZLOZELTM-UONOGXRCSA-N 0 1 376.475 0.673 20 0 GCADMN CON(C)S(=O)(=O)c1ccc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])cc1 ZINC000818552174 597453827 /nfs/dbraw/zinc/45/38/27/597453827.db2.gz AWFFPTGQDSIUNC-ZDUSSCGKSA-N 0 1 386.426 0.574 20 0 GCADMN CS(=O)(=O)c1nc(C(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])c2ccccn21 ZINC000818654172 597457622 /nfs/dbraw/zinc/45/76/22/597457622.db2.gz RKLBOBRGFFXSPT-LLVKDONJSA-N 0 1 381.410 0.444 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000818149321 597515710 /nfs/dbraw/zinc/51/57/10/597515710.db2.gz ZAQMINOEKDCKBA-CJNGLKHVSA-N 0 1 377.441 0.556 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000818149321 597515711 /nfs/dbraw/zinc/51/57/11/597515711.db2.gz ZAQMINOEKDCKBA-CJNGLKHVSA-N 0 1 377.441 0.556 20 0 GCADMN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CC[C@H](C(=O)[O-])C2)C1=O ZINC000769751708 597534789 /nfs/dbraw/zinc/53/47/89/597534789.db2.gz UZEKRBVALDEWGN-IFXJQAMLSA-N 0 1 388.424 0.367 20 0 GCADMN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@H](C(=O)[O-])C2)C1=O ZINC000769751708 597534790 /nfs/dbraw/zinc/53/47/90/597534790.db2.gz UZEKRBVALDEWGN-IFXJQAMLSA-N 0 1 388.424 0.367 20 0 GCADMN COC[C@H](C)S(=O)(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736970957 599274087 /nfs/dbraw/zinc/27/40/87/599274087.db2.gz SDDXNLBMHYXJGS-ZDUSSCGKSA-N 0 1 382.490 0.595 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1-c1nn[nH]n1 ZINC000737186487 599275951 /nfs/dbraw/zinc/27/59/51/599275951.db2.gz IBUUOYJNIBOLPN-NSHDSACASA-N 0 1 389.441 0.572 20 0 GCADMN Cc1nc(COC(=O)CCc2c(C)nc3c(-c4nn[nH]n4)cnn3c2C)n[nH]1 ZINC000822444637 607319694 /nfs/dbraw/zinc/31/96/94/607319694.db2.gz WMMCRORSIXHMBE-UHFFFAOYSA-N 0 1 382.388 0.629 20 0 GCADMN CCCc1nc([C@@H]2CN(C(=O)COc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736496208 599287194 /nfs/dbraw/zinc/28/71/94/599287194.db2.gz ZZQGWNZCMOBHHG-AWEZNQCLSA-N 0 1 398.427 0.916 20 0 GCADMN CCCc1n[nH]c([C@@H]2CN(C(=O)COc3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000736496208 599287197 /nfs/dbraw/zinc/28/71/97/599287197.db2.gz ZZQGWNZCMOBHHG-AWEZNQCLSA-N 0 1 398.427 0.916 20 0 GCADMN Cc1nc([C@@H]2CN(C(=O)[C@@H](C)Oc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000737453574 599288085 /nfs/dbraw/zinc/28/80/85/599288085.db2.gz PPZLNCDOBOHPDB-YGRLFVJLSA-N 0 1 384.400 0.661 20 0 GCADMN CC(C)N1C(=O)N[C@]2(CCN(CCOc3cccc(-c4nn[nH]n4)c3)C2)C1=O ZINC000735875551 599290902 /nfs/dbraw/zinc/29/09/02/599290902.db2.gz OJZUUNRBAWKKFE-SFHVURJKSA-N 0 1 385.428 0.650 20 0 GCADMN CCCc1nc([C@H]2CN(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736496202 599291637 /nfs/dbraw/zinc/29/16/37/599291637.db2.gz ZUEVPTLYNVGPDQ-CQSZACIVSA-N 0 1 397.443 0.949 20 0 GCADMN CCCc1n[nH]c([C@H]2CN(CC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000736496202 599291639 /nfs/dbraw/zinc/29/16/39/599291639.db2.gz ZUEVPTLYNVGPDQ-CQSZACIVSA-N 0 1 397.443 0.949 20 0 GCADMN O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)CCC(=O)N1CC(=O)Nc2ccccc21 ZINC000821530180 598063381 /nfs/dbraw/zinc/06/33/81/598063381.db2.gz BIQVNVAKPYAXTC-CYBMUJFWSA-N 0 1 389.408 0.844 20 0 GCADMN CON(C)S(=O)(=O)c1cccc(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])c1 ZINC000820749219 598066507 /nfs/dbraw/zinc/06/65/07/598066507.db2.gz KIZXLNBMBRPBDU-ZDUSSCGKSA-N 0 1 386.426 0.574 20 0 GCADMN Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])cc1 ZINC000821099033 598068485 /nfs/dbraw/zinc/06/84/85/598068485.db2.gz WALPZROHLXJCMT-KBPBESRZSA-N 0 1 384.454 0.754 20 0 GCADMN C[C@H](NS(=O)(=O)c1cccs1)C(=O)OC[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000820147786 598069230 /nfs/dbraw/zinc/06/92/30/598069230.db2.gz FDGQQXQSJVFUGC-WDEREUQCSA-N 0 1 376.456 0.507 20 0 GCADMN COC(=O)c1c(C)[nH]nc1S(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000821667173 607328025 /nfs/dbraw/zinc/32/80/25/607328025.db2.gz YASWFTZVQDCGNF-UHFFFAOYSA-N 0 1 381.349 0.625 20 0 GCADMN O=C([O-])c1ccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000821463551 598171073 /nfs/dbraw/zinc/17/10/73/598171073.db2.gz JSYXIAQTNMJJOU-HUUCEWRRSA-N 0 1 379.388 0.520 20 0 GCADMN Cn1c(CN2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)cc(=O)n(C)c1=O ZINC000737590040 598249633 /nfs/dbraw/zinc/24/96/33/598249633.db2.gz GGBCKFOFVPGPOZ-UHFFFAOYSA-N 0 1 397.439 0.308 20 0 GCADMN Cn1cccc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)c1=O ZINC000737612851 598259491 /nfs/dbraw/zinc/25/94/91/598259491.db2.gz JNXOADGSYRHNQT-UHFFFAOYSA-N 0 1 396.411 0.393 20 0 GCADMN CCOCCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736624936 598263439 /nfs/dbraw/zinc/26/34/39/598263439.db2.gz FXJASHRTPVXFJM-UHFFFAOYSA-N 0 1 397.461 0.220 20 0 GCADMN CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)C[C@H]1CCCO1 ZINC000736769903 598270415 /nfs/dbraw/zinc/27/04/15/598270415.db2.gz WLBMEDKFQMOVPS-MRXNPFEDSA-N 0 1 394.501 0.739 20 0 GCADMN O=C(c1c[nH]cn1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000738284729 598286255 /nfs/dbraw/zinc/28/62/55/598286255.db2.gz WKIUMCYOEHHUSP-UHFFFAOYSA-N 0 1 381.356 0.800 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCC(=O)Nc2cccnc2)cc1-c1nn[nH]n1 ZINC000737187817 598288476 /nfs/dbraw/zinc/28/84/76/598288476.db2.gz VWPWFJOQYRDPFI-UHFFFAOYSA-N 0 1 386.397 0.453 20 0 GCADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000738100564 598326981 /nfs/dbraw/zinc/32/69/81/598326981.db2.gz REJNCHGISWTRSG-HZPDHXFCSA-N 0 1 389.435 0.746 20 0 GCADMN CC[C@@H]1CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@@H](C)O ZINC000736411650 598342812 /nfs/dbraw/zinc/34/28/12/598342812.db2.gz RJZRIMZWNITZMK-RHSMWYFYSA-N 0 1 387.488 0.260 20 0 GCADMN CC[NH+](CC)CCCNC(=O)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736530816 598344642 /nfs/dbraw/zinc/34/46/42/598344642.db2.gz NBCNYVSCUJXDJA-UHFFFAOYSA-N 0 1 387.492 0.721 20 0 GCADMN CC[NH+](CC)CCCNC(=O)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736530816 598344643 /nfs/dbraw/zinc/34/46/43/598344643.db2.gz NBCNYVSCUJXDJA-UHFFFAOYSA-N 0 1 387.492 0.721 20 0 GCADMN Cc1oc(NC(=O)CN2CCN(C[C@@H](C)O)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737553421 598344839 /nfs/dbraw/zinc/34/48/39/598344839.db2.gz VQUOOHWMLVGLFG-WDEREUQCSA-N 0 1 377.449 0.402 20 0 GCADMN Cc1oc(NC(=O)CN2CCC([N@@H+](C)C[C@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000737552858 598350339 /nfs/dbraw/zinc/35/03/39/598350339.db2.gz ROWAOWCLLWGNGS-NSHDSACASA-N 0 1 391.476 0.792 20 0 GCADMN Cc1oc(NC(=O)CN2CCC([N@H+](C)C[C@H](C)O)CC2)c(-c2nn[n-]n2)c1C ZINC000737552858 598350341 /nfs/dbraw/zinc/35/03/41/598350341.db2.gz ROWAOWCLLWGNGS-NSHDSACASA-N 0 1 391.476 0.792 20 0 GCADMN C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736287566 598352668 /nfs/dbraw/zinc/35/26/68/598352668.db2.gz PWRZYLNCYRCAJQ-RHSMWYFYSA-N 0 1 389.479 0.843 20 0 GCADMN CCOC[C@H](O)CN1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736608106 598353204 /nfs/dbraw/zinc/35/32/04/598353204.db2.gz ILBYBVFQIIOGQF-MRXNPFEDSA-N 0 1 376.461 0.261 20 0 GCADMN CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cnc3c(-c4nnn[n-]4)cnn3c1)CC2 ZINC000735942008 598356525 /nfs/dbraw/zinc/35/65/25/598356525.db2.gz AHSJITYPEARYAP-LBPRGKRZSA-N 0 1 379.432 0.729 20 0 GCADMN CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cnc3c(-c4nn[n-]n4)cnn3c1)CC2 ZINC000735942008 598356528 /nfs/dbraw/zinc/35/65/28/598356528.db2.gz AHSJITYPEARYAP-LBPRGKRZSA-N 0 1 379.432 0.729 20 0 GCADMN O=C1[C@H](N2CCC[C@H](Cn3cncn3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289581 598368668 /nfs/dbraw/zinc/36/86/68/598368668.db2.gz JCSHEQQWBLCDMX-WMLDXEAASA-N 0 1 393.455 0.976 20 0 GCADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCCC[C@H]1C1OCCO1 ZINC000738385964 598377966 /nfs/dbraw/zinc/37/79/66/598377966.db2.gz JYBTXIWONZFGEQ-ZBFHGGJFSA-N 0 1 375.429 0.834 20 0 GCADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCCC[C@@H]1C1OCCO1 ZINC000738385962 598378220 /nfs/dbraw/zinc/37/82/20/598378220.db2.gz JYBTXIWONZFGEQ-GOEBONIOSA-N 0 1 375.429 0.834 20 0 GCADMN COC(=O)COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1Cl ZINC000821662646 607355760 /nfs/dbraw/zinc/35/57/60/607355760.db2.gz LVHSXXYEEYIHIT-UHFFFAOYSA-N 0 1 392.763 0.302 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[NH+]3CCC(C)(C)CC3)CC2)o1 ZINC000737468066 598397465 /nfs/dbraw/zinc/39/74/65/598397465.db2.gz XPXJFFKICIHSKK-UHFFFAOYSA-N 0 1 388.476 0.934 20 0 GCADMN C[NH+](C)CC(C)(C)CNC(=S)NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000736764396 598416885 /nfs/dbraw/zinc/41/68/85/598416885.db2.gz QKZVTTPHVLNYKW-UHFFFAOYSA-N 0 1 380.526 0.157 20 0 GCADMN C[NH+](C)CC(C)(C)CNC(=S)NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000736764396 598416886 /nfs/dbraw/zinc/41/68/86/598416886.db2.gz QKZVTTPHVLNYKW-UHFFFAOYSA-N 0 1 380.526 0.157 20 0 GCADMN O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)Nc1cnn(-c2ccncc2)c1 ZINC000737890141 598425556 /nfs/dbraw/zinc/42/55/56/598425556.db2.gz UUGPHGRRTNATQR-UHFFFAOYSA-N 0 1 389.379 0.816 20 0 GCADMN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736909593 598453446 /nfs/dbraw/zinc/45/34/46/598453446.db2.gz QYBZWUGBWIGVBV-GHMZBOCLSA-N 0 1 387.400 0.190 20 0 GCADMN CN1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)cn2)CC1 ZINC000736866814 598457506 /nfs/dbraw/zinc/45/75/06/598457506.db2.gz HNVBXPFCAHZARA-UHFFFAOYSA-N 0 1 379.428 0.339 20 0 GCADMN CCN1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)cn2)CC1 ZINC000736568154 598459611 /nfs/dbraw/zinc/45/96/11/598459611.db2.gz JGBBMPABGDYNCK-UHFFFAOYSA-N 0 1 393.455 0.729 20 0 GCADMN CN(C[C@H]1CCCOC1)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736789713 598467296 /nfs/dbraw/zinc/46/72/96/598467296.db2.gz AVZBKFCXNNUEOQ-OAHLLOKOSA-N 0 1 399.455 0.947 20 0 GCADMN CC[N@@H+]1CC[C@H](CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000736565342 598486650 /nfs/dbraw/zinc/48/66/50/598486650.db2.gz JWBMSUSIBHSVKX-CQSZACIVSA-N 0 1 397.487 0.917 20 0 GCADMN CC[N@H+]1CC[C@H](CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000736565342 598486652 /nfs/dbraw/zinc/48/66/52/598486652.db2.gz JWBMSUSIBHSVKX-CQSZACIVSA-N 0 1 397.487 0.917 20 0 GCADMN CC[N@@H+]1CC[C@H](CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000736565342 598486654 /nfs/dbraw/zinc/48/66/54/598486654.db2.gz JWBMSUSIBHSVKX-CQSZACIVSA-N 0 1 397.487 0.917 20 0 GCADMN CC[N@H+]1CC[C@H](CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000736565342 598486656 /nfs/dbraw/zinc/48/66/56/598486656.db2.gz JWBMSUSIBHSVKX-CQSZACIVSA-N 0 1 397.487 0.917 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3nccnc3-c3nnn[n-]3)c2)C1 ZINC000737746289 598502669 /nfs/dbraw/zinc/50/26/69/598502669.db2.gz QZECNTDANXITQD-OAHLLOKOSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3nccnc3-c3nnn[n-]3)c2)C1 ZINC000737746289 598502671 /nfs/dbraw/zinc/50/26/71/598502671.db2.gz QZECNTDANXITQD-OAHLLOKOSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3nccnc3-c3nn[n-]n3)c2)C1 ZINC000737746289 598502673 /nfs/dbraw/zinc/50/26/73/598502673.db2.gz QZECNTDANXITQD-OAHLLOKOSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3nccnc3-c3nn[n-]n3)c2)C1 ZINC000737746289 598502674 /nfs/dbraw/zinc/50/26/74/598502674.db2.gz QZECNTDANXITQD-OAHLLOKOSA-N 0 1 393.455 0.966 20 0 GCADMN C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)NCc1ccccc1 ZINC000736133248 598524387 /nfs/dbraw/zinc/52/43/87/598524387.db2.gz GRDCFTIHSVIOND-GXTWGEPZSA-N 0 1 381.444 0.399 20 0 GCADMN CCOc1ccc(NC(=O)C[NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)cc1 ZINC000736647814 598526362 /nfs/dbraw/zinc/52/63/62/598526362.db2.gz UHQGYQHLEJBADP-GFCCVEGCSA-N 0 1 397.443 0.732 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCNC(=O)[C@@H]2C(C)C)cc1-c1nn[nH]n1 ZINC000737188047 598541947 /nfs/dbraw/zinc/54/19/47/598541947.db2.gz WVLWKWUQZYBHNM-JTQLQIEISA-N 0 1 377.430 0.286 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1-c1nnn[n-]1 ZINC000737186577 598542343 /nfs/dbraw/zinc/54/23/43/598542343.db2.gz JRVJIJOTQHSFQH-VIFPVBQESA-N 0 1 375.458 0.903 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1-c1nn[n-]n1 ZINC000737186577 598542345 /nfs/dbraw/zinc/54/23/45/598542345.db2.gz JRVJIJOTQHSFQH-VIFPVBQESA-N 0 1 375.458 0.903 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1-c1nn[n-]n1 ZINC000737186577 598542347 /nfs/dbraw/zinc/54/23/47/598542347.db2.gz JRVJIJOTQHSFQH-VIFPVBQESA-N 0 1 375.458 0.903 20 0 GCADMN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)cn1C ZINC000736879368 598593486 /nfs/dbraw/zinc/59/34/86/598593486.db2.gz URFXLGNRWKTBFO-UHFFFAOYSA-N 0 1 379.377 0.505 20 0 GCADMN CC(C)N1CCO[C@H](CN2CCN(C(=O)c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000735881268 598611811 /nfs/dbraw/zinc/61/18/11/598611811.db2.gz IOFREDHRRCURJI-GOSISDBHSA-N 0 1 399.499 0.734 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCCN2CCOCC2(C)C)cc1-c1nn[nH]n1 ZINC000737187254 598618838 /nfs/dbraw/zinc/61/88/38/598618838.db2.gz PFFGOCMRAGKPOY-UHFFFAOYSA-N 0 1 393.473 0.530 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000737488354 598623592 /nfs/dbraw/zinc/62/35/92/598623592.db2.gz SRZLDESPKSOHOH-ZDUSSCGKSA-N 0 1 383.460 0.527 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000737488354 598623593 /nfs/dbraw/zinc/62/35/93/598623593.db2.gz SRZLDESPKSOHOH-ZDUSSCGKSA-N 0 1 383.460 0.527 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000737488354 598623594 /nfs/dbraw/zinc/62/35/94/598623594.db2.gz SRZLDESPKSOHOH-ZDUSSCGKSA-N 0 1 383.460 0.527 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000737488354 598623595 /nfs/dbraw/zinc/62/35/95/598623595.db2.gz SRZLDESPKSOHOH-ZDUSSCGKSA-N 0 1 383.460 0.527 20 0 GCADMN NS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(-c2nn[nH]n2)c1 ZINC000737769030 598628535 /nfs/dbraw/zinc/62/85/35/598628535.db2.gz CMEMSAMKIKJPPD-UHFFFAOYSA-N 0 1 399.480 0.836 20 0 GCADMN NS(=O)(=O)c1ccc(NCCCCN2CCOCC2)c(-c2nn[nH]n2)c1 ZINC000737770387 598635192 /nfs/dbraw/zinc/63/51/92/598635192.db2.gz VYHKQDIRYLUZHT-UHFFFAOYSA-N 0 1 381.462 0.038 20 0 GCADMN Cn1cnc2c1ncnc2N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737619995 598648321 /nfs/dbraw/zinc/64/83/21/598648321.db2.gz ZLPDRIGFRIRFQL-UHFFFAOYSA-N 0 1 393.415 0.735 20 0 GCADMN O=S(=O)(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738342838 598693715 /nfs/dbraw/zinc/69/37/15/598693715.db2.gz LWNSCSFPBPSCRC-MNOVXSKESA-N 0 1 382.421 0.147 20 0 GCADMN NC(CN1CCCCCC1)=NOCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737764315 598700534 /nfs/dbraw/zinc/70/05/34/598700534.db2.gz KTGGJHXWGKUQST-UHFFFAOYSA-N 0 1 386.460 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0 1 377.373 0.476 20 0 GCADMN O=C1CCCN1CCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823531129 606885355 /nfs/dbraw/zinc/88/53/55/606885355.db2.gz ZDBBWFNWHURBBU-UHFFFAOYSA-N 0 1 386.384 0.436 20 0 GCADMN O=S(=O)(NCc1nnc2n1CCC2)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823583547 606885490 /nfs/dbraw/zinc/88/54/90/606885490.db2.gz SZEWPPYDGDPLCP-UHFFFAOYSA-N 0 1 382.356 0.161 20 0 GCADMN C[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCOCC1 ZINC000820274062 606886210 /nfs/dbraw/zinc/88/62/10/606886210.db2.gz CTNGRZAXFWYCHB-VIFPVBQESA-N 0 1 388.400 0.144 20 0 GCADMN O=S(=O)([N-]C[C@@H]1CC[N@H+](C2CC2)C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823573517 606887301 /nfs/dbraw/zinc/88/73/01/606887301.db2.gz VTCMLEPFGZQDMB-VIFPVBQESA-N 0 1 384.412 0.908 20 0 GCADMN CC[C@](C)(NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)OC ZINC000820853404 606888253 /nfs/dbraw/zinc/88/82/53/606888253.db2.gz LQWIEARKPVCGAT-ZDUSSCGKSA-N 0 1 375.357 0.765 20 0 GCADMN O=C(CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)NC1CCCC1 ZINC000823005439 606889202 /nfs/dbraw/zinc/88/92/02/606889202.db2.gz QUSSTDSKDUYKKV-UHFFFAOYSA-N 0 1 386.384 0.482 20 0 GCADMN COC(=O)[C@](C)(NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000821638926 606892358 /nfs/dbraw/zinc/89/23/58/606892358.db2.gz LFWXRXMGMOHANN-CQSZACIVSA-N 0 1 387.368 0.765 20 0 GCADMN CS(=O)(=O)N[C@H]1CCCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821932811 606892573 /nfs/dbraw/zinc/89/25/73/606892573.db2.gz RWTUKBNCCHUPST-AWEZNQCLSA-N 0 1 380.474 0.649 20 0 GCADMN C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1=O ZINC000820678694 606893609 /nfs/dbraw/zinc/89/36/09/606893609.db2.gz XGIYEDCRNNCBBP-JWKOBGCHSA-N 0 1 398.395 0.433 20 0 GCADMN COCCOC[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821692468 606894122 /nfs/dbraw/zinc/89/41/22/606894122.db2.gz YKCMJNWSHXUVAE-MRVPVSSYSA-N 0 1 377.373 0.475 20 0 GCADMN NC(=O)c1ccc(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000822885676 606896022 /nfs/dbraw/zinc/89/60/22/606896022.db2.gz SCZWPYLWOZANMS-UHFFFAOYSA-N 0 1 395.351 0.117 20 0 GCADMN CC(C)N1C(=O)N[C@@]2(CCN(C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000820128525 606927604 /nfs/dbraw/zinc/92/76/04/606927604.db2.gz QITDSKXORIQPON-KBXCAEBGSA-N 0 1 385.428 0.305 20 0 GCADMN O=S(=O)(N[C@@H]1CCc2c[nH]nc2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572055 606943889 /nfs/dbraw/zinc/94/38/89/606943889.db2.gz AQHHQBRQPQNLNI-SECBINFHSA-N 0 1 381.368 0.704 20 0 GCADMN CCCN(C)S(=O)(=O)N(CCN(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821087466 607003840 /nfs/dbraw/zinc/00/38/40/607003840.db2.gz BLWSBHJGSYCJSJ-UHFFFAOYSA-N 0 1 381.506 0.817 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)cc1-c1nn[nH]n1 ZINC000821969953 607020631 /nfs/dbraw/zinc/02/06/31/607020631.db2.gz HFVRCAQQTWUEJI-WDEREUQCSA-N 0 1 389.441 0.572 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821623094 607034939 /nfs/dbraw/zinc/03/49/39/607034939.db2.gz CIQMMBMSZHBAIL-LBPRGKRZSA-N 0 1 376.852 0.658 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000821623094 607034940 /nfs/dbraw/zinc/03/49/40/607034940.db2.gz CIQMMBMSZHBAIL-LBPRGKRZSA-N 0 1 376.852 0.658 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821623094 607034942 /nfs/dbraw/zinc/03/49/42/607034942.db2.gz CIQMMBMSZHBAIL-LBPRGKRZSA-N 0 1 376.852 0.658 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000821623094 607034944 /nfs/dbraw/zinc/03/49/44/607034944.db2.gz CIQMMBMSZHBAIL-LBPRGKRZSA-N 0 1 376.852 0.658 20 0 GCADMN CC(=O)N1CCCN([C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)CC1 ZINC000819796129 607062600 /nfs/dbraw/zinc/06/26/00/607062600.db2.gz CVHGFSYJKOCSBE-KSSFIOAISA-N 0 1 397.483 0.881 20 0 GCADMN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820650615 607126853 /nfs/dbraw/zinc/12/68/53/607126853.db2.gz WIPSJBODWCJBLL-FRRDWIJNSA-N 0 1 379.490 0.906 20 0 GCADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820650615 607126854 /nfs/dbraw/zinc/12/68/54/607126854.db2.gz WIPSJBODWCJBLL-FRRDWIJNSA-N 0 1 379.490 0.906 20 0 GCADMN C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820650615 607126855 /nfs/dbraw/zinc/12/68/55/607126855.db2.gz WIPSJBODWCJBLL-FRRDWIJNSA-N 0 1 379.490 0.906 20 0 GCADMN C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820650615 607126856 /nfs/dbraw/zinc/12/68/56/607126856.db2.gz WIPSJBODWCJBLL-FRRDWIJNSA-N 0 1 379.490 0.906 20 0 GCADMN Cc1cc(C[C@H](C)NC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000822199714 607155204 /nfs/dbraw/zinc/15/52/04/607155204.db2.gz FKPKHPZJJAVLTN-LBPRGKRZSA-N 0 1 396.459 0.756 20 0 GCADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823160911 607172502 /nfs/dbraw/zinc/17/25/02/607172502.db2.gz ILDHKSJZPQHRMX-PBHICJAKSA-N 0 1 381.440 0.808 20 0 GCADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823160913 607172528 /nfs/dbraw/zinc/17/25/28/607172528.db2.gz ILDHKSJZPQHRMX-RHSMWYFYSA-N 0 1 381.440 0.808 20 0 GCADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000823246410 607180289 /nfs/dbraw/zinc/18/02/89/607180289.db2.gz OFSQBUROQKGXPN-UHFFFAOYSA-N 0 1 389.379 0.702 20 0 GCADMN CC(C)[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1)[NH+](C)C ZINC000735692023 607193164 /nfs/dbraw/zinc/19/31/64/607193164.db2.gz RWKDJIJZDSOZQF-AWEZNQCLSA-N 0 1 388.476 0.967 20 0 GCADMN COc1ccc([C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[NH+]2CCCC2)cc1 ZINC000821778234 607205067 /nfs/dbraw/zinc/20/50/67/607205067.db2.gz XCCUHSHQVXBBLK-HNNXBMFYSA-N 0 1 397.443 0.420 20 0 GCADMN CSCC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nnc2ccccn21 ZINC000821960656 607205671 /nfs/dbraw/zinc/20/56/71/607205671.db2.gz CGLVTKRCZMKTES-JTQLQIEISA-N 0 1 399.444 0.112 20 0 GCADMN CC(C)OC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000820142276 607205677 /nfs/dbraw/zinc/20/56/77/607205677.db2.gz IZSCCAKKJIOPEE-ZDUSSCGKSA-N 0 1 384.400 0.657 20 0 GCADMN CCOc1cc2c(cc1OCC)CN(C(=O)Cn1cnc(-c3nn[nH]n3)n1)CC2 ZINC000821400809 607205701 /nfs/dbraw/zinc/20/57/01/607205701.db2.gz PRPGEASJFLXRJB-UHFFFAOYSA-N 0 1 398.427 0.841 20 0 GCADMN Cn1ccnc1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC000822694151 607206037 /nfs/dbraw/zinc/20/60/37/607206037.db2.gz XCPIWOAUWVWZMO-ZDUSSCGKSA-N 0 1 398.818 0.751 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000823131317 607206212 /nfs/dbraw/zinc/20/62/12/607206212.db2.gz FXTMNINGPDRZPZ-UHFFFAOYSA-N 0 1 381.444 0.761 20 0 GCADMN COc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nccn1C ZINC000821882765 607206304 /nfs/dbraw/zinc/20/63/04/607206304.db2.gz KELPAMWHACJWHO-CQSZACIVSA-N 0 1 394.399 0.106 20 0 GCADMN CC[NH+](CC)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccsc1 ZINC000821181169 607208134 /nfs/dbraw/zinc/20/81/34/607208134.db2.gz KLVVRIIHLYHZKY-LBPRGKRZSA-N 0 1 375.462 0.719 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1ccc(F)c(Br)c1 ZINC000823131705 607209974 /nfs/dbraw/zinc/20/99/74/607209974.db2.gz MFRZCJVNEPSCKY-UHFFFAOYSA-N 0 1 395.196 0.719 20 0 GCADMN CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821138952 607210111 /nfs/dbraw/zinc/21/01/11/607210111.db2.gz LRNRKIGDGQZRLJ-LBPRGKRZSA-N 0 1 397.443 0.486 20 0 GCADMN Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OC[C@H]2CCCO2)c1 ZINC000822248617 607210855 /nfs/dbraw/zinc/21/08/55/607210855.db2.gz HFEBPGPHNNCEEW-GFCCVEGCSA-N 0 1 384.400 0.963 20 0 GCADMN CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819933314 607210969 /nfs/dbraw/zinc/21/09/69/607210969.db2.gz NGOPYWSBBWNMCZ-NSHDSACASA-N 0 1 391.436 0.364 20 0 GCADMN C[C@H]1Cc2ccccc2N1C1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000820814062 607211066 /nfs/dbraw/zinc/21/10/66/607211066.db2.gz QTMKCKZFKLZYIU-ZDUSSCGKSA-N 0 1 393.455 0.900 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000823131912 607211153 /nfs/dbraw/zinc/21/11/53/607211153.db2.gz QILRGCCURLIHPP-UHFFFAOYSA-N 0 1 381.400 0.292 20 0 GCADMN COCCOc1c(Cl)cccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821692758 607211512 /nfs/dbraw/zinc/21/15/12/607211512.db2.gz ASTVTSSLKIUHPX-UHFFFAOYSA-N 0 1 378.780 0.776 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2cc(Br)ccc21 ZINC000823127251 607211799 /nfs/dbraw/zinc/21/17/99/607211799.db2.gz XPZIOCONLSAQTD-UHFFFAOYSA-N 0 1 375.190 0.810 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000821572165 607212139 /nfs/dbraw/zinc/21/21/39/607212139.db2.gz TZTSYZDCUKPZQZ-UHFFFAOYSA-N 0 1 396.459 0.019 20 0 GCADMN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000819933047 607212462 /nfs/dbraw/zinc/21/24/62/607212462.db2.gz DEMWTZOKDMTMOG-LLVKDONJSA-N 0 1 391.436 0.222 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000823127121 607212961 /nfs/dbraw/zinc/21/29/61/607212961.db2.gz UDASLAWACFQAPO-QWRGUYRKSA-N 0 1 389.217 0.893 20 0 GCADMN COC(=O)CSCc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821662751 607214028 /nfs/dbraw/zinc/21/40/28/607214028.db2.gz RFYVPJUSIQTDTN-UHFFFAOYSA-N 0 1 388.413 0.503 20 0 GCADMN COc1ccc(C(C)(C)CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OC ZINC000821772705 607215352 /nfs/dbraw/zinc/21/53/52/607215352.db2.gz MKKTUJBSLLKGSD-UHFFFAOYSA-N 0 1 386.416 0.569 20 0 GCADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821268607 607215974 /nfs/dbraw/zinc/21/59/74/607215974.db2.gz YHJDCNLKQVRMCW-OAHLLOKOSA-N 0 1 396.459 0.366 20 0 GCADMN CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821268607 607215975 /nfs/dbraw/zinc/21/59/75/607215975.db2.gz YHJDCNLKQVRMCW-OAHLLOKOSA-N 0 1 396.459 0.366 20 0 GCADMN CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821268607 607215976 /nfs/dbraw/zinc/21/59/76/607215976.db2.gz YHJDCNLKQVRMCW-OAHLLOKOSA-N 0 1 396.459 0.366 20 0 GCADMN NC(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1N1CCCCC1 ZINC000822885683 607217000 /nfs/dbraw/zinc/21/70/00/607217000.db2.gz SIHQVRULSOOYDG-UHFFFAOYSA-N 0 1 396.415 0.186 20 0 GCADMN C[NH+](C)CCOc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1Cl ZINC000821587319 607217536 /nfs/dbraw/zinc/21/75/36/607217536.db2.gz RDQIUQXBUKFSHB-UHFFFAOYSA-N 0 1 391.823 0.691 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000821572146 607217626 /nfs/dbraw/zinc/21/76/26/607217626.db2.gz SVDGOMILFGKHOP-CYBMUJFWSA-N 0 1 381.400 0.112 20 0 GCADMN COc1cccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)c1 ZINC000821871802 607217637 /nfs/dbraw/zinc/21/76/37/607217637.db2.gz DUQDADNAXKKEPH-LBPRGKRZSA-N 0 1 383.416 0.252 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nccn1Cc1ccccc1Cl ZINC000823136098 607217861 /nfs/dbraw/zinc/21/78/61/607217861.db2.gz JVVDDNAOWAPZOL-UHFFFAOYSA-N 0 1 384.791 0.995 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC000823131539 607217910 /nfs/dbraw/zinc/21/79/10/607217910.db2.gz IXPPPMOUZDPEFN-UHFFFAOYSA-N 0 1 386.763 0.478 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000823122987 607218523 /nfs/dbraw/zinc/21/85/23/607218523.db2.gz JXHSRMGILASUGI-OAHLLOKOSA-N 0 1 386.391 0.570 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000823136207 607218535 /nfs/dbraw/zinc/21/85/35/607218535.db2.gz OLZRVBFPWRRWKT-ZIAGYGMSSA-N 0 1 384.400 0.779 20 0 GCADMN C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820734157 607218766 /nfs/dbraw/zinc/21/87/66/607218766.db2.gz LKJKQVKZDSNNLA-QWRGUYRKSA-N 0 1 391.436 0.220 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823126605 607219075 /nfs/dbraw/zinc/21/90/75/607219075.db2.gz KBWOUDKJXUFGJY-NSHDSACASA-N 0 1 387.791 0.033 20 0 GCADMN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819939652 607219367 /nfs/dbraw/zinc/21/93/67/607219367.db2.gz HRCUJFUVAYGKNN-GHMZBOCLSA-N 0 1 391.436 0.268 20 0 GCADMN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821164286 607219426 /nfs/dbraw/zinc/21/94/26/607219426.db2.gz AJOHDHGOSKLXBQ-UHFFFAOYSA-N 0 1 383.416 0.562 20 0 GCADMN COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1N1CCOC1=O ZINC000821831693 607220344 /nfs/dbraw/zinc/22/03/44/607220344.db2.gz JNYGRWZDIHXSME-UHFFFAOYSA-N 0 1 385.344 0.062 20 0 GCADMN COc1cccc(-c2noc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)c1 ZINC000821854701 607220374 /nfs/dbraw/zinc/22/03/74/607220374.db2.gz SARUZBUUYVTCDR-SECBINFHSA-N 0 1 396.371 0.394 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821571807 607220766 /nfs/dbraw/zinc/22/07/66/607220766.db2.gz GGBWTSVBSWHHEW-OAHLLOKOSA-N 0 1 381.444 0.581 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821571807 607220767 /nfs/dbraw/zinc/22/07/67/607220767.db2.gz GGBWTSVBSWHHEW-OAHLLOKOSA-N 0 1 381.444 0.581 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821571807 607220768 /nfs/dbraw/zinc/22/07/68/607220768.db2.gz GGBWTSVBSWHHEW-OAHLLOKOSA-N 0 1 381.444 0.581 20 0 GCADMN COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821653941 607220987 /nfs/dbraw/zinc/22/09/87/607220987.db2.gz PESOSPUEPSPTEW-STQMWFEESA-N 0 1 388.432 0.429 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655778 607221508 /nfs/dbraw/zinc/22/15/08/607221508.db2.gz CEAUIQBTBONEIP-HIFRSBDPSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655778 607221509 /nfs/dbraw/zinc/22/15/09/607221509.db2.gz CEAUIQBTBONEIP-HIFRSBDPSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655778 607221510 /nfs/dbraw/zinc/22/15/10/607221510.db2.gz CEAUIQBTBONEIP-HIFRSBDPSA-N 0 1 381.444 0.628 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000823176385 607221793 /nfs/dbraw/zinc/22/17/93/607221793.db2.gz SOADPUKHFIMPGS-CYBMUJFWSA-N 0 1 395.427 0.127 20 0 GCADMN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820087418 607221805 /nfs/dbraw/zinc/22/18/05/607221805.db2.gz RJMJQOGBTAOCJY-CQSZACIVSA-N 0 1 388.407 0.816 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC(OCCCOc2ccccc2)C1 ZINC000823122813 607221846 /nfs/dbraw/zinc/22/18/46/607221846.db2.gz ISEXQVKHFNRSEK-UHFFFAOYSA-N 0 1 384.400 0.155 20 0 GCADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OC[C@@H]2CCOC2)c1 ZINC000822237180 607222353 /nfs/dbraw/zinc/22/23/53/607222353.db2.gz INAQICDNKFUAAN-CYBMUJFWSA-N 0 1 398.427 0.498 20 0 GCADMN CCNc1ccc(C(=O)OCC)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821308931 607222972 /nfs/dbraw/zinc/22/29/72/607222972.db2.gz HWMBLOFQYSBCFT-UHFFFAOYSA-N 0 1 385.388 0.705 20 0 GCADMN Cc1cc(-c2noc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)ccc1F ZINC000822151246 607223910 /nfs/dbraw/zinc/22/39/10/607223910.db2.gz AEGRYCBBKFTHCB-SECBINFHSA-N 0 1 398.362 0.833 20 0 GCADMN CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819946864 607224010 /nfs/dbraw/zinc/22/40/10/607224010.db2.gz UMYRIHLQAQUMCA-ZDUSSCGKSA-N 0 1 398.427 0.527 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000823127024 607224524 /nfs/dbraw/zinc/22/45/24/607224524.db2.gz QYRRIGCHATYTAG-JTQLQIEISA-N 0 1 398.305 0.207 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(NCCCN2CCN(c3ncccn3)CC2)n1 ZINC000822215255 607227559 /nfs/dbraw/zinc/22/75/59/607227559.db2.gz SSINTIDDQZCTIP-UHFFFAOYSA-N 0 1 380.460 0.984 20 0 GCADMN Cn1cc(-c2nc3ccccn3c2NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cn1 ZINC000822605069 607240410 /nfs/dbraw/zinc/24/04/10/607240410.db2.gz XBWIUSPKCJVZPB-UHFFFAOYSA-N 0 1 390.371 0.145 20 0 GCADMN CCS(=O)(=O)NCCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825663537 607794738 /nfs/dbraw/zinc/79/47/38/607794738.db2.gz RFOUFZOJJCCHFC-UHFFFAOYSA-N 0 1 393.517 0.314 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)COC(=O)[C@H]3CC3(C)C)CC2)o1 ZINC000826322746 607805727 /nfs/dbraw/zinc/80/57/27/607805727.db2.gz AIJBIRZXHBDXMF-LLVKDONJSA-N 0 1 389.416 0.401 20 0 GCADMN CC(=O)N1CC[C@H](CN(C)[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000823975164 607857654 /nfs/dbraw/zinc/85/76/54/607857654.db2.gz VFOUEOFYDLSGDI-TZMCWYRMSA-N 0 1 389.485 0.834 20 0 GCADMN CC(=O)N1CC[C@H](CN(C)[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823974813 607857738 /nfs/dbraw/zinc/85/77/38/607857738.db2.gz SNEUXLDTZXNDAJ-RHSMWYFYSA-N 0 1 383.456 0.772 20 0 GCADMN CC(=O)N1CC[C@@H](CN(C)[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823974814 607857806 /nfs/dbraw/zinc/85/78/06/607857806.db2.gz SNEUXLDTZXNDAJ-WMLDXEAASA-N 0 1 383.456 0.772 20 0 GCADMN O=C1NC[C@H](CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)O1 ZINC000826482975 607858758 /nfs/dbraw/zinc/85/87/58/607858758.db2.gz WMSQUQIRNUIQJZ-SNVBAGLBSA-N 0 1 386.372 0.345 20 0 GCADMN C[C@@](O)(CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C1CC1 ZINC000824671457 607881683 /nfs/dbraw/zinc/88/16/83/607881683.db2.gz ZHOWJXFGGRCKHI-GOSISDBHSA-N 0 1 387.444 0.932 20 0 GCADMN O=C([C@H]1CCCO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826468317 607881793 /nfs/dbraw/zinc/88/17/93/607881793.db2.gz LELYSRWZRLMIAB-GFCCVEGCSA-N 0 1 385.384 0.942 20 0 GCADMN C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC000826022626 607907078 /nfs/dbraw/zinc/90/70/78/607907078.db2.gz POCOKDNBRQINEW-CYBMUJFWSA-N 0 1 377.474 0.614 20 0 GCADMN C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC000826022626 607907079 /nfs/dbraw/zinc/90/70/79/607907079.db2.gz POCOKDNBRQINEW-CYBMUJFWSA-N 0 1 377.474 0.614 20 0 GCADMN CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825658870 607937346 /nfs/dbraw/zinc/93/73/46/607937346.db2.gz LFESKDOOJUHJNK-SSDOTTSWSA-N 0 1 395.413 0.246 20 0 GCADMN C[C@@H](CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)N1CCN(C)CC1 ZINC000824429840 608002168 /nfs/dbraw/zinc/00/21/68/608002168.db2.gz ZGRCPVIHIPRFTC-LBPRGKRZSA-N 0 1 397.480 0.061 20 0 GCADMN Cn1c2ccc(Nc3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)cc2[nH+]c1C1CC1 ZINC000826355971 608018349 /nfs/dbraw/zinc/01/83/49/608018349.db2.gz VJUOHUPVFNSAKT-UHFFFAOYSA-N 0 1 393.411 0.772 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826073129 608018722 /nfs/dbraw/zinc/01/87/22/608018722.db2.gz GGARNMZKMQOMQH-LLVKDONJSA-N 0 1 397.443 0.499 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826073129 608018723 /nfs/dbraw/zinc/01/87/23/608018723.db2.gz GGARNMZKMQOMQH-LLVKDONJSA-N 0 1 397.443 0.499 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3ncccc23)c1-c1nnn[n-]1 ZINC000826077746 608019729 /nfs/dbraw/zinc/01/97/29/608019729.db2.gz SVMNMYBJZRHWTB-UHFFFAOYSA-N 0 1 380.416 0.799 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c[nH]c3ncccc23)c1-c1nn[n-]n1 ZINC000826077746 608019730 /nfs/dbraw/zinc/01/97/30/608019730.db2.gz SVMNMYBJZRHWTB-UHFFFAOYSA-N 0 1 380.416 0.799 20 0 GCADMN CCN(CC)C(=O)CCC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825399366 608020123 /nfs/dbraw/zinc/02/01/23/608020123.db2.gz RBKYGQMXEONXGE-UHFFFAOYSA-N 0 1 377.453 0.329 20 0 GCADMN CCN(CC)C(=O)CCC(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825399366 608020124 /nfs/dbraw/zinc/02/01/24/608020124.db2.gz RBKYGQMXEONXGE-UHFFFAOYSA-N 0 1 377.453 0.329 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826073047 608020281 /nfs/dbraw/zinc/02/02/81/608020281.db2.gz BNNWBYBUOXZNKO-VXGBXAGGSA-N 0 1 392.464 0.655 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826073047 608020282 /nfs/dbraw/zinc/02/02/82/608020282.db2.gz BNNWBYBUOXZNKO-VXGBXAGGSA-N 0 1 392.464 0.655 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826073044 608020326 /nfs/dbraw/zinc/02/03/26/608020326.db2.gz BNNWBYBUOXZNKO-NEPJUHHUSA-N 0 1 392.464 0.655 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826073044 608020327 /nfs/dbraw/zinc/02/03/27/608020327.db2.gz BNNWBYBUOXZNKO-NEPJUHHUSA-N 0 1 392.464 0.655 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826073542 608020389 /nfs/dbraw/zinc/02/03/89/608020389.db2.gz WNICHNQYABTKMI-QWRGUYRKSA-N 0 1 378.437 0.264 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826073542 608020390 /nfs/dbraw/zinc/02/03/90/608020390.db2.gz WNICHNQYABTKMI-QWRGUYRKSA-N 0 1 378.437 0.264 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)c1-c1nnn[n-]1 ZINC000826077763 608020595 /nfs/dbraw/zinc/02/05/95/608020595.db2.gz UUIAOLXRTADSTC-GHMZBOCLSA-N 0 1 390.448 0.660 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[C@@H](C(=O)OC)C2)c1-c1nn[n-]n1 ZINC000826077763 608020596 /nfs/dbraw/zinc/02/05/96/608020596.db2.gz UUIAOLXRTADSTC-GHMZBOCLSA-N 0 1 390.448 0.660 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)c1-c1nnn[n-]1 ZINC000826077764 608020599 /nfs/dbraw/zinc/02/05/99/608020599.db2.gz UUIAOLXRTADSTC-MNOVXSKESA-N 0 1 390.448 0.660 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CCC[C@H](C(=O)OC)C2)c1-c1nn[n-]n1 ZINC000826077764 608020600 /nfs/dbraw/zinc/02/06/00/608020600.db2.gz UUIAOLXRTADSTC-MNOVXSKESA-N 0 1 390.448 0.660 20 0 GCADMN CCc1noc(CCCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)n1 ZINC000825777295 608020889 /nfs/dbraw/zinc/02/08/89/608020889.db2.gz SMIPVYZUHFOSNE-UHFFFAOYSA-N 0 1 388.436 0.649 20 0 GCADMN CCc1noc(CCCC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)n1 ZINC000825777295 608020890 /nfs/dbraw/zinc/02/08/90/608020890.db2.gz SMIPVYZUHFOSNE-UHFFFAOYSA-N 0 1 388.436 0.649 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-n3cccn3)ccn2)c1-c1nnn[n-]1 ZINC000826077497 608021383 /nfs/dbraw/zinc/02/13/83/608021383.db2.gz KECUGNAPSATVCZ-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(-n3cccn3)ccn2)c1-c1nn[n-]n1 ZINC000826077497 608021384 /nfs/dbraw/zinc/02/13/84/608021384.db2.gz KECUGNAPSATVCZ-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2nc(C)c(Cl)c2C)c1-c1nnn[n-]1 ZINC000826077762 608021593 /nfs/dbraw/zinc/02/15/93/608021593.db2.gz UPJHYWHXQHUBSE-UHFFFAOYSA-N 0 1 392.855 0.847 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2nc(C)c(Cl)c2C)c1-c1nn[n-]n1 ZINC000826077762 608021594 /nfs/dbraw/zinc/02/15/94/608021594.db2.gz UPJHYWHXQHUBSE-UHFFFAOYSA-N 0 1 392.855 0.847 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(-n3ccnc3)c2)c1-c1nn[n-]n1 ZINC000826084074 608021692 /nfs/dbraw/zinc/02/16/92/608021692.db2.gz UTCUUUZLOCHJRJ-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSC[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826077586 608022225 /nfs/dbraw/zinc/02/22/25/608022225.db2.gz NJMOJGMLOYEJEJ-NSHDSACASA-N 0 1 394.505 0.983 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826077586 608022226 /nfs/dbraw/zinc/02/22/26/608022226.db2.gz NJMOJGMLOYEJEJ-NSHDSACASA-N 0 1 394.505 0.983 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cncn3)c2)c1-c1nnn[n-]1 ZINC000826083054 608022318 /nfs/dbraw/zinc/02/23/18/608022318.db2.gz HILBGHNBCJQDGF-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cncn3)c2)c1-c1nn[n-]n1 ZINC000826083054 608022319 /nfs/dbraw/zinc/02/23/19/608022319.db2.gz HILBGHNBCJQDGF-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(N)=O)s2)c1-c1nnn[n-]1 ZINC000826083564 608022361 /nfs/dbraw/zinc/02/23/61/608022361.db2.gz NBZADFQOCUYJND-UHFFFAOYSA-N 0 1 375.418 0.155 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(N)=O)s2)c1-c1nn[n-]n1 ZINC000826083564 608022362 /nfs/dbraw/zinc/02/23/62/608022362.db2.gz NBZADFQOCUYJND-UHFFFAOYSA-N 0 1 375.418 0.155 20 0 GCADMN COc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccn1 ZINC000826218537 608030576 /nfs/dbraw/zinc/03/05/76/608030576.db2.gz FRQOFKVMBOXYSS-MRXNPFEDSA-N 0 1 391.395 0.768 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COCc1ccccc1 ZINC000825933883 608034551 /nfs/dbraw/zinc/03/45/51/608034551.db2.gz IGECYQJFPFOJJR-CQSZACIVSA-N 0 1 386.460 0.614 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COCc1ccccc1 ZINC000825933883 608034552 /nfs/dbraw/zinc/03/45/52/608034552.db2.gz IGECYQJFPFOJJR-CQSZACIVSA-N 0 1 386.460 0.614 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COCc1ccccc1 ZINC000825933883 608034553 /nfs/dbraw/zinc/03/45/53/608034553.db2.gz IGECYQJFPFOJJR-CQSZACIVSA-N 0 1 386.460 0.614 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COCc1ccccc1 ZINC000825933883 608034554 /nfs/dbraw/zinc/03/45/54/608034554.db2.gz IGECYQJFPFOJJR-CQSZACIVSA-N 0 1 386.460 0.614 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COc1ccccc1F ZINC000825935286 608035887 /nfs/dbraw/zinc/03/58/87/608035887.db2.gz YZDFQOHWURSGTL-NSHDSACASA-N 0 1 390.423 0.615 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COc1ccccc1F ZINC000825935286 608035888 /nfs/dbraw/zinc/03/58/88/608035888.db2.gz YZDFQOHWURSGTL-NSHDSACASA-N 0 1 390.423 0.615 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COc1ccccc1F ZINC000825935286 608035889 /nfs/dbraw/zinc/03/58/89/608035889.db2.gz YZDFQOHWURSGTL-NSHDSACASA-N 0 1 390.423 0.615 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COc1ccccc1F ZINC000825935286 608035890 /nfs/dbraw/zinc/03/58/90/608035890.db2.gz YZDFQOHWURSGTL-NSHDSACASA-N 0 1 390.423 0.615 20 0 GCADMN O=C1NC(=O)C2(CCN(Cc3ccc(-c4nn[nH]n4)cc3OC(F)F)CC2)N1 ZINC000826482189 608037631 /nfs/dbraw/zinc/03/76/31/608037631.db2.gz VFIZQCZSDOGYEK-UHFFFAOYSA-N 0 1 393.354 0.642 20 0 GCADMN O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000826398814 608074907 /nfs/dbraw/zinc/07/49/07/608074907.db2.gz GUYNMYLKTJBDTH-UKRRQHHQSA-N 0 1 394.443 0.755 20 0 GCADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431709 608076772 /nfs/dbraw/zinc/07/67/72/608076772.db2.gz IOPWFWFPZGTVDM-IRXDYDNUSA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431709 608076773 /nfs/dbraw/zinc/07/67/73/608076773.db2.gz IOPWFWFPZGTVDM-IRXDYDNUSA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431709 608076774 /nfs/dbraw/zinc/07/67/74/608076774.db2.gz IOPWFWFPZGTVDM-IRXDYDNUSA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431709 608076775 /nfs/dbraw/zinc/07/67/75/608076775.db2.gz IOPWFWFPZGTVDM-IRXDYDNUSA-N 0 1 393.451 0.875 20 0 GCADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(CC)n1 ZINC000825621488 608107566 /nfs/dbraw/zinc/10/75/66/608107566.db2.gz UZTQJYYSKGINAV-SECBINFHSA-N 0 1 399.415 0.762 20 0 GCADMN CCNS(=O)(=O)[C@H]1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000825476331 608212057 /nfs/dbraw/zinc/21/20/57/608212057.db2.gz GPKOQMDMYPPVIR-ZDUSSCGKSA-N 0 1 375.458 0.633 20 0 GCADMN O=C(N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@]1(O)CCSC1 ZINC000826425401 608227520 /nfs/dbraw/zinc/22/75/20/608227520.db2.gz BRQRLMYJBUPDPQ-GOSISDBHSA-N 0 1 388.497 0.769 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824968958 608316541 /nfs/dbraw/zinc/31/65/41/608316541.db2.gz RDOYXBITXBRFFX-ZIAGYGMSSA-N 0 1 381.444 0.580 20 0 GCADMN COCCCN(C)CCNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826156296 608336284 /nfs/dbraw/zinc/33/62/84/608336284.db2.gz XEDPSWJMCQKSLR-UHFFFAOYSA-N 0 1 386.453 0.394 20 0 GCADMN CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824285085 608353082 /nfs/dbraw/zinc/35/30/82/608353082.db2.gz WRMBDYYPXOOIRH-UHFFFAOYSA-N 0 1 377.453 0.213 20 0 GCADMN CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824285085 608353085 /nfs/dbraw/zinc/35/30/85/608353085.db2.gz WRMBDYYPXOOIRH-UHFFFAOYSA-N 0 1 377.453 0.213 20 0 GCADMN CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824285085 608353086 /nfs/dbraw/zinc/35/30/86/608353086.db2.gz WRMBDYYPXOOIRH-UHFFFAOYSA-N 0 1 377.453 0.213 20 0 GCADMN CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824285085 608353088 /nfs/dbraw/zinc/35/30/88/608353088.db2.gz WRMBDYYPXOOIRH-UHFFFAOYSA-N 0 1 377.453 0.213 20 0 GCADMN CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825444414 608356894 /nfs/dbraw/zinc/35/68/94/608356894.db2.gz MTLVJNBKWGXWOT-PWSUYJOCSA-N 0 1 389.464 0.213 20 0 GCADMN CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825444414 608356896 /nfs/dbraw/zinc/35/68/96/608356896.db2.gz MTLVJNBKWGXWOT-PWSUYJOCSA-N 0 1 389.464 0.213 20 0 GCADMN CC(C)Oc1ccc(NC(=O)C(=O)NCCc2nc[nH]n2)cc1-c1nn[nH]n1 ZINC000824324868 608361084 /nfs/dbraw/zinc/36/10/84/608361084.db2.gz XBPIGKSECZWIMD-UHFFFAOYSA-N 0 1 385.388 0.069 20 0 GCADMN NC(=O)NC1(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826391756 608402323 /nfs/dbraw/zinc/40/23/23/608402323.db2.gz AMNSZTGNZLWOOC-UHFFFAOYSA-N 0 1 384.444 0.102 20 0 GCADMN C[NH+](C)CCOc1ccccc1N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825870678 608421435 /nfs/dbraw/zinc/42/14/35/608421435.db2.gz XZGFUOSCVLQFIR-UHFFFAOYSA-N 0 1 395.471 0.924 20 0 GCADMN C[NH+](C)CCOc1ccccc1N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825870678 608421436 /nfs/dbraw/zinc/42/14/36/608421436.db2.gz XZGFUOSCVLQFIR-UHFFFAOYSA-N 0 1 395.471 0.924 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C[C@@H]1N(C)C ZINC000826226510 608443376 /nfs/dbraw/zinc/44/33/76/608443376.db2.gz AXZDKWOLSFYZOF-QWHCGFSZSA-N 0 1 382.515 0.841 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)C[C@@H]1N(C)C ZINC000826226478 608443708 /nfs/dbraw/zinc/44/37/08/608443708.db2.gz AMHYIIWDLCISCG-NWDGAFQWSA-N 0 1 382.515 0.841 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1N(C)C ZINC000826227655 608443714 /nfs/dbraw/zinc/44/37/14/608443714.db2.gz VFCDVFOCFZGHKO-STQMWFEESA-N 0 1 386.478 0.672 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C[C@@H]1N(C)C ZINC000826226511 608443762 /nfs/dbraw/zinc/44/37/62/608443762.db2.gz AXZDKWOLSFYZOF-STQMWFEESA-N 0 1 382.515 0.841 20 0 GCADMN CN(CC1CCOCC1)CN1C(=O)N[C@@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825914783 608486798 /nfs/dbraw/zinc/48/67/98/608486798.db2.gz NXVJGGGWELCIIT-IBGZPJMESA-N 0 1 399.455 0.950 20 0 GCADMN CCN(C(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825372325 608490071 /nfs/dbraw/zinc/49/00/71/608490071.db2.gz VRAUCHULGNWAOJ-DOMZBBRYSA-N 0 1 392.485 0.553 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ncn(-c3ccccc3)n2)c1-c1nnn[n-]1 ZINC000826083395 608528571 /nfs/dbraw/zinc/52/85/71/608528571.db2.gz KNIWOXXCRBQRGF-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ncn(-c3ccccc3)n2)c1-c1nn[n-]n1 ZINC000826083395 608528572 /nfs/dbraw/zinc/52/85/72/608528572.db2.gz KNIWOXXCRBQRGF-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)NC(=O)NCC(F)(F)F ZINC000826412401 608530045 /nfs/dbraw/zinc/53/00/45/608530045.db2.gz MVEZWZWELZCPKB-UHFFFAOYSA-N 0 1 383.334 0.834 20 0 GCADMN COCCn1cc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)cn1 ZINC000826163953 608590299 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Cc1nc(C)n(CCN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN(C)C(=O)C(C)C)C3)n1 ZINC001109365379 1202026444 /nfs/dbraw/zinc/02/64/44/1202026444.db2.gz KUMCRXQJQYJEFZ-IKGGRYGDSA-N 0 1 376.505 0.731 20 0 GCADMN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CC(F)(F)F)C(=O)C1CC1 ZINC001109367105 1202027723 /nfs/dbraw/zinc/02/77/23/1202027723.db2.gz AORKHJYQHUAVKZ-MQYQWHSLSA-N 0 1 377.407 0.890 20 0 GCADMN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CC(F)(F)F)C(=O)C1CC1 ZINC001109367105 1202027727 /nfs/dbraw/zinc/02/77/27/1202027727.db2.gz AORKHJYQHUAVKZ-MQYQWHSLSA-N 0 1 377.407 0.890 20 0 GCADMN CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC[C@H]1CCCO1)C(=O)C1CC1 ZINC001109368506 1202028531 /nfs/dbraw/zinc/02/85/31/1202028531.db2.gz XNNICSXIVMZAAG-BDXSIMOUSA-N 0 1 379.501 0.772 20 0 GCADMN COCC(=O)N(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(C(C)C)n1 ZINC001109368417 1202028576 /nfs/dbraw/zinc/02/85/76/1202028576.db2.gz SVNUNOJQAQFJAA-RDBSUJKOSA-N 0 1 378.477 0.254 20 0 GCADMN O=C(CCc1cnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCOCC1 ZINC001109384743 1202035274 /nfs/dbraw/zinc/03/52/74/1202035274.db2.gz LRYFAMSMFWXQEB-IKGGRYGDSA-N 0 1 375.473 0.359 20 0 GCADMN CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCS(=O)(=O)N(C)C ZINC001109418872 1202042274 /nfs/dbraw/zinc/04/22/74/1202042274.db2.gz FDAZHZIOAHTFSB-NRKLIOEPSA-N 0 1 387.546 0.805 20 0 GCADMN C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC[N-]C(=O)C(F)(F)F ZINC001109415029 1202042427 /nfs/dbraw/zinc/04/24/27/1202042427.db2.gz ACDGNBLRYFRSIO-NDKCEZKHSA-N 0 1 393.406 0.580 20 0 GCADMN C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC[N-]C(=O)C(F)(F)F ZINC001109415029 1202042428 /nfs/dbraw/zinc/04/24/28/1202042428.db2.gz ACDGNBLRYFRSIO-NDKCEZKHSA-N 0 1 393.406 0.580 20 0 GCADMN O=C(COCC1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O ZINC001109416548 1202042991 /nfs/dbraw/zinc/04/29/91/1202042991.db2.gz KYSFBPWZPIEVBA-PMPSAXMXSA-N 0 1 378.473 0.467 20 0 GCADMN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1cc(C)on1)C2 ZINC001109423885 1202044174 /nfs/dbraw/zinc/04/41/74/1202044174.db2.gz GGFWOMSBGCUVTL-PMPSAXMXSA-N 0 1 380.445 0.236 20 0 GCADMN CC[C@@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCCc2nc(C)no2)CCNC1=O ZINC001109420847 1202045010 /nfs/dbraw/zinc/04/50/10/1202045010.db2.gz RPSMGSLLXISJNX-MMMWYMCRSA-N 0 1 375.473 0.948 20 0 GCADMN C[C@@H]1CN(CCNC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)CCO1 ZINC000769086735 1202045380 /nfs/dbraw/zinc/04/53/80/1202045380.db2.gz PWCSLVYMJFRLFX-HOJAQTOUSA-N 0 1 390.528 0.889 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO)[C@@H]1CCCN1c1ncccn1 ZINC001109421875 1202045937 /nfs/dbraw/zinc/04/59/37/1202045937.db2.gz OLOMCZWLKLPQPT-QZWWFDLISA-N 0 1 375.473 0.176 20 0 GCADMN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC(F)(F)F)n1)C2 ZINC001109431605 1202047990 /nfs/dbraw/zinc/04/79/90/1202047990.db2.gz XJEZQGOUWVVAIO-XWUBHJNHSA-N 0 1 376.379 0.788 20 0 GCADMN CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)C1 ZINC000769189496 1202048552 /nfs/dbraw/zinc/04/85/52/1202048552.db2.gz MVKZTQCBRDRUCN-STQMWFEESA-N 0 1 396.448 0.516 20 0 GCADMN Cn1ncc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)CN2CCOCC2)C3)n1 ZINC001109449130 1202051646 /nfs/dbraw/zinc/05/16/46/1202051646.db2.gz GIENVIQUHBIBIP-IKGGRYGDSA-N 0 1 376.505 0.395 20 0 GCADMN CC(C)COCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC3N=NC(=O)N3C1)C2 ZINC001109461013 1202057476 /nfs/dbraw/zinc/05/74/76/1202057476.db2.gz LBBFBJUGEBCCBG-FZKCQIBNSA-N 0 1 377.489 0.940 20 0 GCADMN O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001109468864 1202058333 /nfs/dbraw/zinc/05/83/33/1202058333.db2.gz UCDSGHCBDIYEMC-RDBSUJKOSA-N 0 1 375.433 0.088 20 0 GCADMN O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCCCO1 ZINC001109468666 1202058337 /nfs/dbraw/zinc/05/83/37/1202058337.db2.gz MBGLPLLJKTWOCW-KBXIAJHMSA-N 0 1 379.461 0.760 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO)c1sccc1-n1cnnn1 ZINC001109485340 1202062171 /nfs/dbraw/zinc/06/21/71/1202062171.db2.gz WBLWDMXAMINMOL-AGIUHOORSA-N 0 1 378.458 0.068 20 0 GCADMN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1sccc1-n1cnnn1)C2 ZINC001109487502 1202062576 /nfs/dbraw/zinc/06/25/76/1202062576.db2.gz VGQSDQOXVRDMBL-VOAKCMCISA-N 0 1 378.458 0.066 20 0 GCADMN Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)n[nH]1 ZINC000769591134 1202063998 /nfs/dbraw/zinc/06/39/98/1202063998.db2.gz XKUYAAZLZRUDDG-GFCCVEGCSA-N 0 1 380.474 0.710 20 0 GCADMN COC(=O)C1(O)CCN(C(=O)Nc2ccccc2N2CCN(C)CC2)CC1 ZINC000769666980 1202067948 /nfs/dbraw/zinc/06/79/48/1202067948.db2.gz LHISGASRWDCFFD-UHFFFAOYSA-N 0 1 376.457 0.970 20 0 GCADMN Cn1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC[C@H]2CCCO2)ncc1=O ZINC001109541853 1202074004 /nfs/dbraw/zinc/07/40/04/1202074004.db2.gz RAEKPHRUIYWZHS-AIANPOQGSA-N 0 1 376.457 0.311 20 0 GCADMN CC(C)COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1coc(C(N)=O)c1)C2 ZINC001109550805 1202077056 /nfs/dbraw/zinc/07/70/56/1202077056.db2.gz SWAOINJNABEYDO-WCVJEAGWSA-N 0 1 379.457 0.747 20 0 GCADMN NC(=O)c1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC[C@@H]2CCCO2)co1 ZINC001109550588 1202077283 /nfs/dbraw/zinc/07/72/83/1202077283.db2.gz JHUKMURPWWWYFQ-UGUYLWEFSA-N 0 1 377.441 0.909 20 0 GCADMN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccnn1C)C2 ZINC001109546205 1202077812 /nfs/dbraw/zinc/07/78/12/1202077812.db2.gz XXABRRLRJDTZGC-RXYDEIHYSA-N 0 1 389.500 0.398 20 0 GCADMN COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(Cn3ccnn3)o1)C2 ZINC001109544638 1202077819 /nfs/dbraw/zinc/07/78/19/1202077819.db2.gz FQKOGTJXTHGAIE-VRKREXBASA-N 0 1 375.429 0.262 20 0 GCADMN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn(C(C)C)cn1)C2 ZINC001109559488 1202078614 /nfs/dbraw/zinc/07/86/14/1202078614.db2.gz DKPBTCPVWRKYTR-CVYDXHPNSA-N 0 1 380.489 0.823 20 0 GCADMN CCC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC(C)C)S(N)(=O)=O ZINC001109559770 1202078866 /nfs/dbraw/zinc/07/88/66/1202078866.db2.gz QMNAVCYBPVBHHA-FXUDXRNXSA-N 0 1 375.535 0.838 20 0 GCADMN Cn1cnn(CCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCC2CCC2)c1=O ZINC001109559651 1202078908 /nfs/dbraw/zinc/07/89/08/1202078908.db2.gz KPQSRBWHMFZRHQ-IKGGRYGDSA-N 0 1 377.489 0.510 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO)[C@@H]1CCCN1c1nccs1 ZINC001109555511 1202079999 /nfs/dbraw/zinc/07/99/99/1202079999.db2.gz UPEXZKNPJBCAMB-UGUYLWEFSA-N 0 1 380.514 0.842 20 0 GCADMN CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCC2CC2)N(C(C)=O)C1 ZINC001109562956 1202080961 /nfs/dbraw/zinc/08/09/61/1202080961.db2.gz DPVMUKUYWLSSJB-HVMFNXBNSA-N 0 1 379.501 0.770 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000770030207 1202082901 /nfs/dbraw/zinc/08/29/01/1202082901.db2.gz FSVYYPHFESMMLF-IKGGRYGDSA-N 0 1 378.521 0.511 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O ZINC001109584381 1202084756 /nfs/dbraw/zinc/08/47/56/1202084756.db2.gz HIIURZIXUBBHFC-KBXIAJHMSA-N 0 1 379.505 0.284 20 0 GCADMN CC(C)(C)C(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCNC1=O ZINC001109586119 1202085990 /nfs/dbraw/zinc/08/59/90/1202085990.db2.gz JEAXFNDGCCCSJK-ILXRZTDVSA-N 0 1 379.505 0.286 20 0 GCADMN C[C@H](NC(=O)C(=O)Nc1ccccc1N1CCN(C)CC1)[C@@H]1CN(C)CCO1 ZINC000770303008 1202093487 /nfs/dbraw/zinc/09/34/87/1202093487.db2.gz MJHKUHGEASHBMF-YJBOKZPZSA-N 0 1 389.500 0.212 20 0 GCADMN O=C(CCCC1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@@H](O)CN1C(=O)CCC1=O ZINC001109630887 1202093771 /nfs/dbraw/zinc/09/37/71/1202093771.db2.gz XVWPLBVORFUXQN-NCOADZHNSA-N 0 1 377.485 0.798 20 0 GCADMN COC(=O)N1CC(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)C1 ZINC000770385984 1202095303 /nfs/dbraw/zinc/09/53/03/1202095303.db2.gz OIGHEZVGLRCBDQ-UHFFFAOYSA-N 0 1 391.476 0.129 20 0 GCADMN Cn1cc(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOC[C@@H]2CCCO2)cn1 ZINC001109647509 1202097469 /nfs/dbraw/zinc/09/74/69/1202097469.db2.gz VGPRXRIBHNOIRF-FZCLSBEQSA-N 0 1 378.473 0.716 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOC[C@H]1CCCCO1)c1c[nH]c(=O)cn1 ZINC001109648255 1202098066 /nfs/dbraw/zinc/09/80/66/1202098066.db2.gz YXGRODHAGHEJDB-AIANPOQGSA-N 0 1 376.457 0.691 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO)[C@@H]1CCCN(CC(F)F)C1 ZINC001109649011 1202098114 /nfs/dbraw/zinc/09/81/14/1202098114.db2.gz NSZXYTPEIJXKBK-WCVJEAGWSA-N 0 1 375.460 0.694 20 0 GCADMN COc1nc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc(=O)[nH]1 ZINC000770512043 1202101261 /nfs/dbraw/zinc/10/12/61/1202101261.db2.gz UKMIPDXOQVDECC-JTQLQIEISA-N 0 1 375.337 0.304 20 0 GCADMN COc1nc(C(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cc(=O)[nH]1 ZINC000770517309 1202101695 /nfs/dbraw/zinc/10/16/95/1202101695.db2.gz XIHXIHHMWFJIST-UHFFFAOYSA-N 0 1 390.308 0.425 20 0 GCADMN CN1CC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC(F)(F)F)=NC1=O ZINC001109673289 1202103696 /nfs/dbraw/zinc/10/36/96/1202103696.db2.gz HMARUNRRWUBYTR-YWVKMMECSA-N 0 1 375.351 0.139 20 0 GCADMN Cn1cc(S(=O)(=O)NCCOC(=O)c2ccc(-c3nnc[nH]3)cc2)cn1 ZINC000770564397 1202104640 /nfs/dbraw/zinc/10/46/40/1202104640.db2.gz FFXMPJAQVMZHSL-UHFFFAOYSA-N 0 1 376.398 0.341 20 0 GCADMN C[C@@H](OC(=O)c1ccc(-c2nnc[nH]2)cc1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000770563625 1202104805 /nfs/dbraw/zinc/10/48/05/1202104805.db2.gz BFMOQJZLTNJUKJ-BXUZGUMPSA-N 0 1 392.437 0.663 20 0 GCADMN CNC(=O)c1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H](COC)OC)C3)cc1 ZINC001109695882 1202105981 /nfs/dbraw/zinc/10/59/81/1202105981.db2.gz KFHVPTMJUDVTDU-VSZNYVQBSA-N 0 1 375.469 0.929 20 0 GCADMN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C1CC1)C2 ZINC001109706691 1202106564 /nfs/dbraw/zinc/10/65/64/1202106564.db2.gz QUUYMMIYQBEQCJ-JHNDHUHGSA-N 0 1 379.457 0.911 20 0 GCADMN COCCOC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1conc1C1CC1)C2 ZINC001109706692 1202106655 /nfs/dbraw/zinc/10/66/55/1202106655.db2.gz QUUYMMIYQBEQCJ-OHFALNGGSA-N 0 1 379.457 0.911 20 0 GCADMN CC(C)COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C(N)=O)co1)C2 ZINC001109708996 1202107038 /nfs/dbraw/zinc/10/70/38/1202107038.db2.gz BEQIVDKPRHHATJ-UGUYLWEFSA-N 0 1 379.457 0.747 20 0 GCADMN Cc1nc(COC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)n[nH]1 ZINC000770646993 1202107710 /nfs/dbraw/zinc/10/77/10/1202107710.db2.gz HMXGQGAAEODCGY-CYBMUJFWSA-N 0 1 380.426 0.927 20 0 GCADMN COC(=O)C[C@]1(NCC(=O)N2CCN(Cc3ccco3)CC2)CCCOC1 ZINC000770692690 1202108941 /nfs/dbraw/zinc/10/89/41/1202108941.db2.gz QICKKAMYAJFQDO-LJQANCHMSA-N 0 1 379.457 0.626 20 0 GCADMN COC(=O)C[C@@]1(NCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CCCOC1 ZINC000770704629 1202109760 /nfs/dbraw/zinc/10/97/60/1202109760.db2.gz GAOMWJRFDWCNBQ-SFHVURJKSA-N 0 1 399.394 0.721 20 0 GCADMN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC(F)(F)F)C1 ZINC001109718875 1202111323 /nfs/dbraw/zinc/11/13/23/1202111323.db2.gz MXVOMQOTENSLOA-MQYQWHSLSA-N 0 1 376.423 0.728 20 0 GCADMN CS(=O)(=O)CC1(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH]nn2)C3)CC1 ZINC001109739943 1202115901 /nfs/dbraw/zinc/11/59/01/1202115901.db2.gz HNEVODCGGTVMGR-ILXRZTDVSA-N 0 1 381.502 0.284 20 0 GCADMN CS(=O)(=O)CC1(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cnn[nH]2)C3)CC1 ZINC001109739943 1202115904 /nfs/dbraw/zinc/11/59/04/1202115904.db2.gz HNEVODCGGTVMGR-ILXRZTDVSA-N 0 1 381.502 0.284 20 0 GCADMN CCOc1nnc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2c[nH]nn2)C3)s1 ZINC001109742809 1202116181 /nfs/dbraw/zinc/11/61/81/1202116181.db2.gz VCPKHFDHKRBPSZ-AGIUHOORSA-N 0 1 377.474 0.909 20 0 GCADMN CCOc1nnc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCc2cnn[nH]2)C3)s1 ZINC001109742809 1202116182 /nfs/dbraw/zinc/11/61/82/1202116182.db2.gz VCPKHFDHKRBPSZ-AGIUHOORSA-N 0 1 377.474 0.909 20 0 GCADMN O=C(CCc1c[nH]nn1)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H]1CCCS(=O)(=O)C1 ZINC001109741616 1202116254 /nfs/dbraw/zinc/11/62/54/1202116254.db2.gz RXFBXONARVSYAX-OJLVUWQFSA-N 0 1 381.502 0.284 20 0 GCADMN COc1ccc(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)C3)cc1 ZINC001109760791 1202118554 /nfs/dbraw/zinc/11/85/54/1202118554.db2.gz RWOWKLMIORMXEH-YVVXQTMVSA-N 0 1 381.498 0.854 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1)c1ccnnc1 ZINC001109757336 1202119498 /nfs/dbraw/zinc/11/94/98/1202119498.db2.gz ARHMOGZFDGKHIM-FZCLSBEQSA-N 0 1 376.457 0.368 20 0 GCADMN CCc1cc(CNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)n[nH]1 ZINC000746253708 1202122026 /nfs/dbraw/zinc/12/20/26/1202122026.db2.gz MIGALKPWGOXGNE-UHFFFAOYSA-N 0 1 399.498 0.264 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1n[nH]c(C2CC2)n1)S(C)(=O)=O ZINC001109789017 1202123727 /nfs/dbraw/zinc/12/37/27/1202123727.db2.gz PTGZZGULQUUIAW-AGIUHOORSA-N 0 1 381.502 0.727 20 0 GCADMN CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cn1 ZINC000771095603 1202124910 /nfs/dbraw/zinc/12/49/10/1202124910.db2.gz HFTZXPFJKKAOSG-UHFFFAOYSA-N 0 1 389.481 0.994 20 0 GCADMN CC(C)(C)OC(=O)N1C[C@@H](N[C@H]2COC(=O)C2)C[C@H]1C(=O)N1CCSC1 ZINC001170021619 1202124958 /nfs/dbraw/zinc/12/49/58/1202124958.db2.gz HKQLCKWYSWJHKS-XQQFMLRXSA-N 0 1 385.486 0.802 20 0 GCADMN CC(=O)N[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1)C(N)=O ZINC001109806486 1202126203 /nfs/dbraw/zinc/12/62/03/1202126203.db2.gz DQCQGTBABKYODC-QZWWFDLISA-N 0 1 376.432 0.427 20 0 GCADMN COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c[n-]n3c1nccc3=O)C2 ZINC001109809161 1202126998 /nfs/dbraw/zinc/12/69/98/1202126998.db2.gz LUJSDTZDIZFXEO-SNPRPXQTSA-N 0 1 375.429 0.021 20 0 GCADMN COCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CC1)C2 ZINC001109808742 1202127021 /nfs/dbraw/zinc/12/70/21/1202127021.db2.gz WPRFWVALJPISRZ-OWSLCNJRSA-N 0 1 379.501 0.772 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2CCOCCO)c1cncc(N2CCCC2)n1 ZINC001109802791 1202127510 /nfs/dbraw/zinc/12/75/10/1202127510.db2.gz JJCHLBXHIRZOHD-VYDXJSESSA-N 0 1 375.473 0.421 20 0 GCADMN CC(C)(C)OC(=O)N1C[C@H](n2[n-]c(=O)nc2C[NH3+])C[C@H]1C(=O)N1CCSC1 ZINC001170023384 1202127796 /nfs/dbraw/zinc/12/77/96/1202127796.db2.gz WGUWDKREWVMNAT-MNOVXSKESA-N 0 1 398.489 0.526 20 0 GCADMN Cc1c[nH]c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)COC2CCOCC2)n1 ZINC001109820385 1202128336 /nfs/dbraw/zinc/12/83/36/1202128336.db2.gz KJOUUETUKUTKQW-JHNDHUHGSA-N 0 1 378.473 0.610 20 0 GCADMN CCOCCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)Cc1cnc[nH]1)C2 ZINC001109824737 1202129774 /nfs/dbraw/zinc/12/97/74/1202129774.db2.gz JWJVGRXBHPZVPT-SIXLDLHFSA-N 0 1 377.489 0.463 20 0 GCADMN COCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1OCC[C@@H]1Cn1cccn1)C2 ZINC001109826465 1202129987 /nfs/dbraw/zinc/12/99/87/1202129987.db2.gz JMNKFRAQOXYKBA-ZSXDVEMLSA-N 0 1 392.500 0.673 20 0 GCADMN CCc1nc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@H](O)COCCOC)c(C)o1 ZINC001109826660 1202130186 /nfs/dbraw/zinc/13/01/86/1202130186.db2.gz SBXIKDFNURXXJM-UGUYLWEFSA-N 0 1 381.473 0.904 20 0 GCADMN CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC(C)C ZINC001109849390 1202135501 /nfs/dbraw/zinc/13/55/01/1202135501.db2.gz PWAKFLLSAVNBIR-QZWWFDLISA-N 0 1 382.505 0.151 20 0 GCADMN CC(=O)N1CC(N[C@H]2C[C@@H](C(=O)N3CCSC3)N(C(=O)OC(C)(C)C)C2)C1 ZINC001170025731 1202136953 /nfs/dbraw/zinc/13/69/53/1202136953.db2.gz KETDFTSRLPWJIZ-ZFWWWQNUSA-N 0 1 398.529 0.718 20 0 GCADMN O=C(CN1CC(=O)NC1=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCCCC(F)(F)F ZINC001109854920 1202137238 /nfs/dbraw/zinc/13/72/38/1202137238.db2.gz GCEGYUFCZUNJSM-WOPDTQHZSA-N 0 1 376.379 0.992 20 0 GCADMN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C)nc1C)C2 ZINC001109859179 1202137949 /nfs/dbraw/zinc/13/79/49/1202137949.db2.gz NGAKHDSINVGGTR-NJAFHUGGSA-N 0 1 375.473 0.581 20 0 GCADMN C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn[n-]1)C2 ZINC001109861441 1202138451 /nfs/dbraw/zinc/13/84/51/1202138451.db2.gz MSFHTNMQMIQLEW-WYUUTHIRSA-N 0 1 377.449 0.153 20 0 GCADMN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1nnc[nH]1)C2 ZINC001109861441 1202138452 /nfs/dbraw/zinc/13/84/52/1202138452.db2.gz MSFHTNMQMIQLEW-WYUUTHIRSA-N 0 1 377.449 0.153 20 0 GCADMN C[C@H](C(=O)NC(=O)NC(C)(C)C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ncn[nH]1)C2 ZINC001109861441 1202138453 /nfs/dbraw/zinc/13/84/53/1202138453.db2.gz MSFHTNMQMIQLEW-WYUUTHIRSA-N 0 1 377.449 0.153 20 0 GCADMN O=C(CNC(=O)C1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCOCC1CC1 ZINC001109860152 1202138510 /nfs/dbraw/zinc/13/85/10/1202138510.db2.gz NRBRCMXJOKAWSC-SQNIBIBYSA-N 0 1 379.501 0.677 20 0 GCADMN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc(SC)n[nH]2)C1=O ZINC000771385830 1202139520 /nfs/dbraw/zinc/13/95/20/1202139520.db2.gz OXMQQECBCSEEDN-MRXNPFEDSA-N 0 1 390.425 0.941 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)COC1CCOCC1)c1ncccn1 ZINC001109870042 1202140713 /nfs/dbraw/zinc/14/07/13/1202140713.db2.gz NTQBBXILMPNYES-OHFALNGGSA-N 0 1 376.457 0.368 20 0 GCADMN CNC(=O)NC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC(C)CC1)C2 ZINC001109878210 1202142758 /nfs/dbraw/zinc/14/27/58/1202142758.db2.gz MGNYTKFYELTGNO-FZKCQIBNSA-N 0 1 379.505 0.284 20 0 GCADMN O=C(CC[C@@H]1CCCOC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1C(=O)CNC1=O ZINC001109907980 1202148527 /nfs/dbraw/zinc/14/85/27/1202148527.db2.gz LGJJSOPDXBVUSB-FZKCQIBNSA-N 0 1 378.473 0.467 20 0 GCADMN COC(=O)C[C@]1(NC(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc32)CCCOC1 ZINC000771655739 1202153660 /nfs/dbraw/zinc/15/36/60/1202153660.db2.gz ZWACZLBRNFYYMU-CWTRNNRKSA-N 0 1 388.424 0.910 20 0 GCADMN COCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)CNC(=O)c1cscn1)C2 ZINC001109939428 1202155053 /nfs/dbraw/zinc/15/50/53/1202155053.db2.gz LQHJWQOKCFIYSL-IPYPFGDCSA-N 0 1 382.486 0.257 20 0 GCADMN O=C(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC[C@H]1CCCO1)NCC1CC1 ZINC001109944480 1202155710 /nfs/dbraw/zinc/15/57/10/1202155710.db2.gz IVWHKTJZHKBLAO-BDXSIMOUSA-N 0 1 379.501 0.820 20 0 GCADMN O=C(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOC[C@@H]1CCCO1)NCC1CC1 ZINC001109944481 1202155911 /nfs/dbraw/zinc/15/59/11/1202155911.db2.gz IVWHKTJZHKBLAO-OWSLCNJRSA-N 0 1 379.501 0.820 20 0 GCADMN COCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cn([C@H]3CCOC3)nn1)C2 ZINC001109937619 1202156279 /nfs/dbraw/zinc/15/62/79/1202156279.db2.gz GWAVZUFMIGWNGH-AESZEHBQSA-N 0 1 379.461 0.238 20 0 GCADMN O=C(CCOC1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCCC1=O ZINC001109961114 1202160419 /nfs/dbraw/zinc/16/04/19/1202160419.db2.gz OHCOJKVFHJKBMZ-NJAFHUGGSA-N 0 1 379.501 0.916 20 0 GCADMN CCOC(=O)[C@](C)(O)CN1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000771763061 1202161493 /nfs/dbraw/zinc/16/14/93/1202161493.db2.gz AZIACWLLPCQLEZ-QGZVFWFLSA-N 0 1 385.486 0.494 20 0 GCADMN CN(C)C(=O)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C[C@@H](O)CC(F)(F)F)CC1 ZINC001109962994 1202163592 /nfs/dbraw/zinc/16/35/92/1202163592.db2.gz MQOAOTCXCYPFBO-VOAKCMCISA-N 0 1 377.407 0.890 20 0 GCADMN COCCOC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C(C)C)c1)C2 ZINC001109968019 1202164754 /nfs/dbraw/zinc/16/47/54/1202164754.db2.gz WGLSDOABRGSBTL-BDXSIMOUSA-N 0 1 380.489 0.823 20 0 GCADMN CN1C(=O)CN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3CCOCC2CCC2)C1=O ZINC001109972035 1202166954 /nfs/dbraw/zinc/16/69/54/1202166954.db2.gz UWUVGVKKZRDRMR-PMPSAXMXSA-N 0 1 378.473 0.419 20 0 GCADMN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](NC(C)=O)C(C)C)C2 ZINC001110010150 1202173749 /nfs/dbraw/zinc/17/37/49/1202173749.db2.gz GHDPSPDWJLDWPF-VSZNYVQBSA-N 0 1 382.505 0.021 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCn1nc(C)nc1C)C(C)C ZINC001110008791 1202173990 /nfs/dbraw/zinc/17/39/90/1202173990.db2.gz PAYRDTRDVUKHAF-VSZNYVQBSA-N 0 1 376.505 0.777 20 0 GCADMN CC(=O)NCCOCCN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COc1ccccc1)C2 ZINC001110032756 1202177717 /nfs/dbraw/zinc/17/77/17/1202177717.db2.gz YZQYJASYHBVOOB-NEWSRXKRSA-N 0 1 375.469 0.940 20 0 GCADMN C[S@@](=O)CCN1CCN(C(=O)Cn2c(=O)c3ccccc3[nH]c2=S)CC1 ZINC000746690623 1205393024 /nfs/dbraw/zinc/39/30/24/1205393024.db2.gz DPHYDNYSMWAKDC-AREMUKBSSA-N 0 1 394.522 0.208 20 0 GCADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc(-n2nccn2)nc1 ZINC000787609210 1205394465 /nfs/dbraw/zinc/39/44/65/1205394465.db2.gz XMANTNLUPDXFOC-CQSZACIVSA-N 0 1 399.455 0.313 20 0 GCADMN CCN(CCS(C)(=O)=O)C(=O)C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1 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YZVSFNVBAUPBTH-NXEZZACHSA-N 0 1 397.486 0.873 20 0 GCADMN CC(=O)NCC(=O)NCC(=O)N[C@@H]1CCc2nc(C3CCCCC3)[nH]c2C1 ZINC000788245167 1205417432 /nfs/dbraw/zinc/41/74/32/1205417432.db2.gz QQDODOARNSFYIF-CQSZACIVSA-N 0 1 375.473 0.683 20 0 GCADMN C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788467766 1205423704 /nfs/dbraw/zinc/42/37/04/1205423704.db2.gz BEFQPTSGPUQYLH-WBVHZDCISA-N 0 1 399.499 0.682 20 0 GCADMN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 ZINC000788544683 1205425146 /nfs/dbraw/zinc/42/51/46/1205425146.db2.gz MQBHKSRCMXJRCE-UHFFFAOYSA-N 0 1 390.421 0.605 20 0 GCADMN C[C@]1(c2ccc(C(=O)N3CCSC[C@H]3c3nn[nH]n3)cc2)NC(=O)NC1=O ZINC000788601158 1205426097 /nfs/dbraw/zinc/42/60/97/1205426097.db2.gz GMSGWOMRCALQDE-MEDUHNTESA-N 0 1 387.425 0.185 20 0 GCADMN CCOC(=O)[C@@H]1[C@@H](N[C@H](C)C(=O)NCCF)CCN1C(=O)OC(C)(C)C ZINC000788822588 1205430566 /nfs/dbraw/zinc/43/05/66/1205430566.db2.gz MRBUTMXDHMAKRT-AGIUHOORSA-N 0 1 375.441 0.991 20 0 GCADMN 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C[NH+](C)C1(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CCC1 ZINC001571265238 945504066 /nfs/dbraw/zinc/50/40/66/945504066.db2.gz DELGKKPNWBUZHG-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571265220 945504878 /nfs/dbraw/zinc/50/48/78/945504878.db2.gz CUARTVFKTPQFIG-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nnn[n-]2)C1 ZINC001571265220 945504884 /nfs/dbraw/zinc/50/48/84/945504884.db2.gz CUARTVFKTPQFIG-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571265220 945504890 /nfs/dbraw/zinc/50/48/90/945504890.db2.gz CUARTVFKTPQFIG-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571265220 945504895 /nfs/dbraw/zinc/50/48/95/945504895.db2.gz CUARTVFKTPQFIG-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571265323 945506314 /nfs/dbraw/zinc/50/63/14/945506314.db2.gz HCUFOJBBTYMHJZ-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571265323 945506316 /nfs/dbraw/zinc/50/63/16/945506316.db2.gz HCUFOJBBTYMHJZ-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571265323 945506317 /nfs/dbraw/zinc/50/63/17/945506317.db2.gz HCUFOJBBTYMHJZ-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571265323 945506323 /nfs/dbraw/zinc/50/63/23/945506323.db2.gz HCUFOJBBTYMHJZ-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001571265644 945515583 /nfs/dbraw/zinc/51/55/83/945515583.db2.gz NNRZDFSNNUFNIV-XUXIUFHCSA-N 0 1 385.476 0.694 20 0 GCADMN C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571265644 945515588 /nfs/dbraw/zinc/51/55/88/945515588.db2.gz NNRZDFSNNUFNIV-XUXIUFHCSA-N 0 1 385.476 0.694 20 0 GCADMN C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571265644 945515594 /nfs/dbraw/zinc/51/55/94/945515594.db2.gz NNRZDFSNNUFNIV-XUXIUFHCSA-N 0 1 385.476 0.694 20 0 GCADMN C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571265644 945515602 /nfs/dbraw/zinc/51/56/02/945515602.db2.gz NNRZDFSNNUFNIV-XUXIUFHCSA-N 0 1 385.476 0.694 20 0 GCADMN CN(c1nccnc1-c1nnn[n-]1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001571265743 945517613 /nfs/dbraw/zinc/51/76/13/945517613.db2.gz JMGYZDNCQNSSER-ZDUSSCGKSA-N 0 1 385.476 0.568 20 0 GCADMN CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001571265743 945517623 /nfs/dbraw/zinc/51/76/23/945517623.db2.gz JMGYZDNCQNSSER-ZDUSSCGKSA-N 0 1 385.476 0.568 20 0 GCADMN 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CCC[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265771 945520455 /nfs/dbraw/zinc/52/04/55/945520455.db2.gz JWDVMHNHWZOCHE-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265777 945520785 /nfs/dbraw/zinc/52/07/85/945520785.db2.gz JXENXIMMVNVOBT-UKRRQHHQSA-N 0 1 385.476 0.934 20 0 GCADMN CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265777 945520795 /nfs/dbraw/zinc/52/07/95/945520795.db2.gz JXENXIMMVNVOBT-UKRRQHHQSA-N 0 1 385.476 0.934 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265776 945520955 /nfs/dbraw/zinc/52/09/55/945520955.db2.gz JXENXIMMVNVOBT-HIFRSBDPSA-N 0 1 385.476 0.934 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265776 945520965 /nfs/dbraw/zinc/52/09/65/945520965.db2.gz JXENXIMMVNVOBT-HIFRSBDPSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571265765 945522370 /nfs/dbraw/zinc/52/23/70/945522370.db2.gz JVYLWUOMOUHOKZ-HZSPNIEDSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571265765 945522382 /nfs/dbraw/zinc/52/23/82/945522382.db2.gz JVYLWUOMOUHOKZ-HZSPNIEDSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571265765 945522399 /nfs/dbraw/zinc/52/23/99/945522399.db2.gz JVYLWUOMOUHOKZ-HZSPNIEDSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571265765 945522403 /nfs/dbraw/zinc/52/24/03/945522403.db2.gz JVYLWUOMOUHOKZ-HZSPNIEDSA-N 0 1 385.476 0.838 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571265999 945527473 /nfs/dbraw/zinc/52/74/73/945527473.db2.gz MNSCWTPTTMPSHA-XDQVBPFNSA-N 0 1 385.476 0.116 20 0 GCADMN 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C[C@H]1C[C@@H](C(=O)N(C)C2CC(Nc3nccnc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571266038 945528439 /nfs/dbraw/zinc/52/84/39/945528439.db2.gz UHUJZCFMABYULC-FEPKRQSRSA-N 0 1 385.476 0.788 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571266038 945528441 /nfs/dbraw/zinc/52/84/41/945528441.db2.gz UHUJZCFMABYULC-FEPKRQSRSA-N 0 1 385.476 0.788 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N(C)C2CC(Nc3nccnc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571266038 945528445 /nfs/dbraw/zinc/52/84/45/945528445.db2.gz UHUJZCFMABYULC-FEPKRQSRSA-N 0 1 385.476 0.788 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CC[N@@H+]1C ZINC001571266086 945531238 /nfs/dbraw/zinc/53/12/38/945531238.db2.gz VUSOGVCQGWTFFQ-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CC[N@H+]1C ZINC001571266086 945531240 /nfs/dbraw/zinc/53/12/40/945531240.db2.gz VUSOGVCQGWTFFQ-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CC[N@@H+]1C ZINC001571266086 945531242 /nfs/dbraw/zinc/53/12/42/945531242.db2.gz VUSOGVCQGWTFFQ-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CC[N@H+]1C ZINC001571266086 945531247 /nfs/dbraw/zinc/53/12/47/945531247.db2.gz VUSOGVCQGWTFFQ-MGPQQGTHSA-N 0 1 385.476 0.472 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001571266237 945533213 /nfs/dbraw/zinc/53/32/13/945533213.db2.gz YFPKNIDQXWZRPY-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571266237 945533218 /nfs/dbraw/zinc/53/32/18/945533218.db2.gz YFPKNIDQXWZRPY-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571266237 945533221 /nfs/dbraw/zinc/53/32/21/945533221.db2.gz YFPKNIDQXWZRPY-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN 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0.901 20 0 GCADMN CO[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1NC(=O)C[C@H]1CCOC1 ZINC001571276659 945733959 /nfs/dbraw/zinc/73/39/59/945733959.db2.gz KKZLHEYAUMAZME-KBRIMQKVSA-N 0 1 386.456 0.609 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)[C@]2(C)CCOC2)CC1 ZINC001571276621 945734993 /nfs/dbraw/zinc/73/49/93/945734993.db2.gz JTUTXXKTDLRTPN-KPZWWZAWSA-N 0 1 386.460 0.544 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001571277578 945743338 /nfs/dbraw/zinc/74/33/38/945743338.db2.gz LVVAHPWNGWEFIA-IVMMDQJWSA-N 0 1 386.456 0.848 20 0 GCADMN O=C(NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1)[C@H]1CCC(=O)N1 ZINC001571277683 945745111 /nfs/dbraw/zinc/74/51/11/945745111.db2.gz RVGULBUKMZLZEW-OAHLLOKOSA-N 0 1 387.419 0.365 20 0 GCADMN C[C@@H]1C[C@@H](C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001571277650 945745590 /nfs/dbraw/zinc/74/55/90/945745590.db2.gz MYPFSJQIKUEFKZ-OCCSQVGLSA-N 0 1 386.460 0.544 20 0 GCADMN COc1ccc(CN2CCCO[C@@H](CNC(=O)C3CC3)C2)cc1-c1nn[nH]n1 ZINC001571278482 945752768 /nfs/dbraw/zinc/75/27/68/945752768.db2.gz NYVQXGQYGUNHRJ-HNNXBMFYSA-N 0 1 386.456 0.992 20 0 GCADMN C[C@@]1(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001571278743 945761107 /nfs/dbraw/zinc/76/11/07/945761107.db2.gz BDRBEIXYMNRJLX-SCLBCKFNSA-N 0 1 387.444 0.140 20 0 GCADMN C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CCCN(CC(=O)N2CCC2)C1 ZINC001571278936 945765361 /nfs/dbraw/zinc/76/53/61/945765361.db2.gz RMIIFHYSPQOGFE-STQMWFEESA-N 0 1 386.460 0.257 20 0 GCADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cnsn1 ZINC001571279020 945767699 /nfs/dbraw/zinc/76/76/99/945767699.db2.gz GDEQTVOFYOOBCS-DGCLKSJQSA-N 0 1 387.429 0.055 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1 ZINC001571279678 945784023 /nfs/dbraw/zinc/78/40/23/945784023.db2.gz XVIWUFQGAANISM-CYBMUJFWSA-N 0 1 386.456 0.945 20 0 GCADMN COCc1nc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cs1 ZINC001571279707 945786490 /nfs/dbraw/zinc/78/64/90/945786490.db2.gz SUEIDTQKPQEWRN-KYZUINATSA-N 0 1 387.429 0.054 20 0 GCADMN CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1CC ZINC001571280004 945792342 /nfs/dbraw/zinc/79/23/42/945792342.db2.gz ZHQXTXJJVQZYNM-COMQUAJESA-N 0 1 386.460 0.945 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C1CCC1 ZINC001571279962 945792991 /nfs/dbraw/zinc/79/29/91/945792991.db2.gz YGIWEIOBKFQOIN-QWHCGFSZSA-N 0 1 386.460 0.539 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573448754 945810352 /nfs/dbraw/zinc/81/03/52/945810352.db2.gz MBAMTECLOQMKNV-XJKCOSOUSA-N 0 1 384.444 0.001 20 0 GCADMN CCn1nncc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571282069 945826769 /nfs/dbraw/zinc/82/67/69/945826769.db2.gz SKKIGEWGQGQHPK-UHFFFAOYSA-N 0 1 387.473 0.934 20 0 GCADMN CCn1nncc1C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571282069 945826777 /nfs/dbraw/zinc/82/67/77/945826777.db2.gz SKKIGEWGQGQHPK-UHFFFAOYSA-N 0 1 387.473 0.934 20 0 GCADMN Cn1cnc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571282175 945831340 /nfs/dbraw/zinc/83/13/40/945831340.db2.gz SZFBNGIYVCJSQN-QWRGUYRKSA-N 0 1 387.473 0.745 20 0 GCADMN Cn1cnc(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571282175 945831355 /nfs/dbraw/zinc/83/13/55/945831355.db2.gz SZFBNGIYVCJSQN-QWRGUYRKSA-N 0 1 387.473 0.745 20 0 GCADMN CC(=O)N1CCN([C@@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)CC1 ZINC001573451124 945832204 /nfs/dbraw/zinc/83/22/04/945832204.db2.gz RHDMYQYXIGYTCI-SNVBAGLBSA-N 0 1 382.881 0.719 20 0 GCADMN Cn1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1 ZINC001571282182 945832590 /nfs/dbraw/zinc/83/25/90/945832590.db2.gz TVTBVLXQCQLGSX-CYBMUJFWSA-N 0 1 387.469 0.898 20 0 GCADMN Cn1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1 ZINC001571282182 945832597 /nfs/dbraw/zinc/83/25/97/945832597.db2.gz TVTBVLXQCQLGSX-CYBMUJFWSA-N 0 1 387.469 0.898 20 0 GCADMN CN(C(=O)c1cnn(C)c1N)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282243 945833769 /nfs/dbraw/zinc/83/37/69/945833769.db2.gz VWWSZISMBMNFCT-UHFFFAOYSA-N 0 1 387.473 0.637 20 0 GCADMN CN(C(=O)c1cnn(C)c1N)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282243 945833789 /nfs/dbraw/zinc/83/37/89/945833789.db2.gz VWWSZISMBMNFCT-UHFFFAOYSA-N 0 1 387.473 0.637 20 0 GCADMN Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)nn1 ZINC001571282241 945836238 /nfs/dbraw/zinc/83/62/38/945836238.db2.gz VVAXOOUGUSCFCG-XYPYZODXSA-N 0 1 387.473 0.888 20 0 GCADMN Cn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)nn1 ZINC001571282241 945836251 /nfs/dbraw/zinc/83/62/51/945836251.db2.gz VVAXOOUGUSCFCG-XYPYZODXSA-N 0 1 387.473 0.888 20 0 GCADMN CC(=O)N[C@H](C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573452417 945850959 /nfs/dbraw/zinc/85/09/59/945850959.db2.gz FCVYRATWTIMIGM-BZNIZROVSA-N 0 1 386.460 0.295 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573453618 945862269 /nfs/dbraw/zinc/86/22/69/945862269.db2.gz NBDBKGNIRGGVRF-KZULUSFZSA-N 0 1 388.476 0.399 20 0 GCADMN Cc1cc(N2CCCO[C@@H](CNC(=O)[C@@H]3CCCO3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571282772 945862890 /nfs/dbraw/zinc/86/28/90/945862890.db2.gz QQFMUXNAVWTHLU-BBRMVZONSA-N 0 1 387.444 0.461 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)N[C@H](C)CCNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573453614 945863452 /nfs/dbraw/zinc/86/34/52/945863452.db2.gz MZYKXNWJTMELKO-KZULUSFZSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)N[C@](C)(C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001573453965 945869961 /nfs/dbraw/zinc/86/99/61/945869961.db2.gz SAJRZUZUHJXEHE-KRWDZBQOSA-N 0 1 389.464 0.102 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573455250 945879760 /nfs/dbraw/zinc/87/97/60/945879760.db2.gz AOLUSKLNVVUKGW-GFCCVEGCSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573455250 945879770 /nfs/dbraw/zinc/87/97/70/945879770.db2.gz AOLUSKLNVVUKGW-GFCCVEGCSA-N 0 1 391.501 0.781 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)c3cc(Cl)n(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571283719 945890497 /nfs/dbraw/zinc/89/04/97/945890497.db2.gz IDBMYVQRYLWQSU-JTQLQIEISA-N 0 1 387.835 0.706 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573456789 945896588 /nfs/dbraw/zinc/89/65/88/945896588.db2.gz PFAYAINKJXERFE-WCQYABFASA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573456613 945898333 /nfs/dbraw/zinc/89/83/33/945898333.db2.gz NCEDFFLMRBXUGV-JTQLQIEISA-N 0 1 379.490 0.779 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573456613 945898341 /nfs/dbraw/zinc/89/83/41/945898341.db2.gz NCEDFFLMRBXUGV-JTQLQIEISA-N 0 1 379.490 0.779 20 0 GCADMN CCc1nc(N[C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571284350 945899421 /nfs/dbraw/zinc/89/94/21/945899421.db2.gz ODMUBFFWVJPACS-JSGCOSHPSA-N 0 1 387.492 0.962 20 0 GCADMN CC(C)[C@H](C(=O)N1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)[NH+](C)C ZINC001571284247 945900302 /nfs/dbraw/zinc/90/03/02/945900302.db2.gz OCLXEKBIAFHLKO-UKRRQHHQSA-N 0 1 387.492 0.892 20 0 GCADMN CC(C)[C@@H](C(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)[NH+](C)C ZINC001571284722 945905117 /nfs/dbraw/zinc/90/51/17/945905117.db2.gz UQZOWIRBIQMGJF-ZFWWWQNUSA-N 0 1 387.492 0.892 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571285152 945911245 /nfs/dbraw/zinc/91/12/45/945911245.db2.gz YTKWFMNVBXGNBF-UKRRQHHQSA-N 0 1 387.492 0.588 20 0 GCADMN CC[C@H](C(=O)N1CCCC[C@@H]1CN(C)c1cnc(-c2nn[n-]n2)cn1)[NH+](C)C ZINC001571285110 945911275 /nfs/dbraw/zinc/91/12/75/945911275.db2.gz YMBCCKMXDNGWSB-UKRRQHHQSA-N 0 1 387.492 0.814 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001573460047 945914305 /nfs/dbraw/zinc/91/43/05/945914305.db2.gz HZMBLDYXXNBSKJ-ZDUSSCGKSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573462014 945926903 /nfs/dbraw/zinc/92/69/03/945926903.db2.gz WAUDUSHJONFECE-ZDUSSCGKSA-N 0 1 386.460 0.310 20 0 GCADMN O=C(C[C@H]1COC(=O)C1)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571285844 945930170 /nfs/dbraw/zinc/93/01/70/945930170.db2.gz PPNOZMDZXRKHHN-BXUZGUMPSA-N 0 1 388.403 0.650 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573462136 945931606 /nfs/dbraw/zinc/93/16/06/945931606.db2.gz AMPFPZPXUDDPEX-CHWSQXEVSA-N 0 1 386.460 0.438 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573462138 945932155 /nfs/dbraw/zinc/93/21/55/945932155.db2.gz AMPFPZPXUDDPEX-QWHCGFSZSA-N 0 1 386.460 0.438 20 0 GCADMN O=C(N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)[C@]1(F)CCOC1 ZINC001571286691 945954591 /nfs/dbraw/zinc/95/45/91/945954591.db2.gz OWBNZIOZNVIBIN-JKDFXYPNSA-N 0 1 388.407 0.355 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573464957 945971712 /nfs/dbraw/zinc/97/17/12/945971712.db2.gz SDVCVUXUVDJICK-ZCFIWIBFSA-N 0 1 386.869 0.808 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573467278 945976316 /nfs/dbraw/zinc/97/63/16/945976316.db2.gz AWZRYEJOYGKCAA-ABAIWWIYSA-N 0 1 389.435 0.563 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573467607 945985014 /nfs/dbraw/zinc/98/50/14/945985014.db2.gz GGMVGYVONXPRLR-WDEREUQCSA-N 0 1 377.424 0.467 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)C1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573468124 945990883 /nfs/dbraw/zinc/99/08/83/945990883.db2.gz KVLAGHHRNKQOIF-LMWSTFAQSA-N 0 1 386.460 0.390 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573468532 945996097 /nfs/dbraw/zinc/99/60/97/945996097.db2.gz ONOZIYIFEQGCRK-RNFRBKRXSA-N 0 1 386.869 0.760 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001573468574 945998802 /nfs/dbraw/zinc/99/88/02/945998802.db2.gz PMBWSJKZHFZVJO-QWRGUYRKSA-N 0 1 377.424 0.467 20 0 GCADMN Cc1nsc(N[C@@H]2C[C@@H](C)N(C(=O)CCc3nc[nH]n3)C2)c1-c1nn[nH]n1 ZINC001571289389 946005189 /nfs/dbraw/zinc/00/51/89/946005189.db2.gz BMQLNIBYCSVMAX-PSASIEDQSA-N 0 1 388.461 0.784 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)[C@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573469733 946009504 /nfs/dbraw/zinc/00/95/04/946009504.db2.gz XDLCCMOYEARNQX-RQJHMYQMSA-N 0 1 386.869 0.760 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289899 946023423 /nfs/dbraw/zinc/02/34/23/946023423.db2.gz PHVQODAYFMURLE-LLVKDONJSA-N 0 1 388.457 0.895 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571289899 946023436 /nfs/dbraw/zinc/02/34/36/946023436.db2.gz PHVQODAYFMURLE-LLVKDONJSA-N 0 1 388.457 0.895 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573470638 946030959 /nfs/dbraw/zinc/03/09/59/946030959.db2.gz 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CC(=O)N[C@H](C)C(=O)N1CCC[C@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573472182 946062607 /nfs/dbraw/zinc/06/26/07/946062607.db2.gz UJBYMRGNHXFHGP-OCCSQVGLSA-N 0 1 386.460 0.522 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472357 946065471 /nfs/dbraw/zinc/06/54/71/946065471.db2.gz VRRXGZOKKJNOTO-ZYHUDNBSSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472357 946065480 /nfs/dbraw/zinc/06/54/80/946065480.db2.gz VRRXGZOKKJNOTO-ZYHUDNBSSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573472959 946072591 /nfs/dbraw/zinc/07/25/91/946072591.db2.gz YISLRJAMSPKUCC-TZMCWYRMSA-N 0 1 386.460 0.167 20 0 GCADMN O=C(N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccn(C(F)F)n1 ZINC001571291763 946080064 /nfs/dbraw/zinc/08/00/64/946080064.db2.gz ODJDPYPVSSVQCF-MGCOHNPYSA-N 0 1 389.370 0.896 20 0 GCADMN 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ZINC001573616042 947615247 /nfs/dbraw/zinc/61/52/47/947615247.db2.gz HEUZOQRPLLGMDL-BXUZGUMPSA-N 0 1 385.407 0.549 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573616994 947631547 /nfs/dbraw/zinc/63/15/47/947631547.db2.gz KRXSMDSYVKTMBZ-STQMWFEESA-N 0 1 381.444 0.481 20 0 GCADMN C=Cc1ccc(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001573355086 947641609 /nfs/dbraw/zinc/64/16/09/947641609.db2.gz MDTZPXBZGXOCAU-OAHLLOKOSA-N 0 1 392.423 0.935 20 0 GCADMN C=Cc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cc1 ZINC001573355371 947643389 /nfs/dbraw/zinc/64/33/89/947643389.db2.gz OJLIOFCYXWNUHI-LSDHHAIUSA-N 0 1 392.423 0.669 20 0 GCADMN C=Cc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cc1 ZINC001573355369 947643475 /nfs/dbraw/zinc/64/34/75/947643475.db2.gz OJLIOFCYXWNUHI-HUUCEWRRSA-N 0 1 392.423 0.669 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573617979 947646288 /nfs/dbraw/zinc/64/62/88/947646288.db2.gz OBNZIYNNMNIWMO-AAEUAGOBSA-N 0 1 382.432 0.231 20 0 GCADMN C[C@@H](C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001573618846 947654520 /nfs/dbraw/zinc/65/45/20/947654520.db2.gz SRZXNWMNCRZIIJ-TZMCWYRMSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@H](C(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2)C1CC1 ZINC001573623426 947688669 /nfs/dbraw/zinc/68/86/69/947688669.db2.gz FSPFCIZZKFTWEO-KPZWWZAWSA-N 0 1 384.444 0.511 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCCC1 ZINC001573625233 947698534 /nfs/dbraw/zinc/69/85/34/947698534.db2.gz OOYJGUIDEHYFNB-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)n1cncn1 ZINC001573625603 947701237 /nfs/dbraw/zinc/70/12/37/947701237.db2.gz PILQWWPWNFNFGA-NSHDSACASA-N 0 1 387.473 0.862 20 0 GCADMN C[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)n1cncn1 ZINC001573625603 947701249 /nfs/dbraw/zinc/70/12/49/947701249.db2.gz PILQWWPWNFNFGA-NSHDSACASA-N 0 1 387.473 0.862 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573627113 947716200 /nfs/dbraw/zinc/71/62/00/947716200.db2.gz YXLIZTNRNIKTKY-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573627114 947717134 /nfs/dbraw/zinc/71/71/34/947717134.db2.gz YXLIZTNRNIKTKY-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573627523 947727776 /nfs/dbraw/zinc/72/77/76/947727776.db2.gz CYDIQSICOONENC-STQMWFEESA-N 0 1 382.432 0.329 20 0 GCADMN C[C@H](C(=O)N1CCC[C@H](CC(C)(C)C(N)=O)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573628346 947753220 /nfs/dbraw/zinc/75/32/20/947753220.db2.gz HBAABQZDWQSNBT-GHMZBOCLSA-N 0 1 375.437 0.159 20 0 GCADMN CC(=O)CCCC(=O)N1CCC([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573368324 947766724 /nfs/dbraw/zinc/76/67/24/947766724.db2.gz MRCFDSAFALTORR-CYBMUJFWSA-N 0 1 386.460 0.877 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1)C1CCC1 ZINC001573629579 947782489 /nfs/dbraw/zinc/78/24/89/947782489.db2.gz OISYXUOGTIPEHH-YJYMSZOUSA-N 0 1 385.472 0.885 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573631459 947801866 /nfs/dbraw/zinc/80/18/66/947801866.db2.gz VFSLTWUAFAKESA-TZMCWYRMSA-N 0 1 379.428 0.680 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573631768 947805272 /nfs/dbraw/zinc/80/52/72/947805272.db2.gz WSBJEPYQSMSBCN-NWDGAFQWSA-N 0 1 387.473 0.862 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573631768 947805283 /nfs/dbraw/zinc/80/52/83/947805283.db2.gz WSBJEPYQSMSBCN-NWDGAFQWSA-N 0 1 387.473 0.862 20 0 GCADMN CC(=O)CCCC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573375958 947827648 /nfs/dbraw/zinc/82/76/48/947827648.db2.gz RPLPNLHIFWWLHQ-UHFFFAOYSA-N 0 1 384.444 0.677 20 0 GCADMN C[C@H](C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573638018 947832401 /nfs/dbraw/zinc/83/24/01/947832401.db2.gz YVAJBNSHLWQAAE-MNOVXSKESA-N 0 1 376.421 0.742 20 0 GCADMN CC(=O)CCCC(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573376405 947836661 /nfs/dbraw/zinc/83/66/61/947836661.db2.gz ZTKVTDVXLZZLLJ-KGLIPLIRSA-N 0 1 384.444 0.843 20 0 GCADMN C[C@H](C(=O)N1CCN(c2cc(Cl)ccn2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573638394 947837620 /nfs/dbraw/zinc/83/76/20/947837620.db2.gz MKTLVLGZMXMKKX-SNVBAGLBSA-N 0 1 388.823 0.416 20 0 GCADMN CC(=O)CCCC(=O)N1CCO[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573377098 947846163 /nfs/dbraw/zinc/84/61/63/947846163.db2.gz IAXOXBMCHPCQGM-BBRMVZONSA-N 0 1 387.444 0.471 20 0 GCADMN C[C@H](C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ccco1 ZINC001573641256 947857709 /nfs/dbraw/zinc/85/77/09/947857709.db2.gz LVOYXHVEZNHLQS-QWHCGFSZSA-N 0 1 383.412 0.720 20 0 GCADMN C[C@@H](C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573641836 947858886 /nfs/dbraw/zinc/85/88/86/947858886.db2.gz NXEBULPGMKKNBT-OCCSQVGLSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[NH+]1CCCCCC1 ZINC001573644035 947868000 /nfs/dbraw/zinc/86/80/00/947868000.db2.gz XCCCJZDWBLNKAQ-AWEZNQCLSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccc1 ZINC001573646423 947876313 /nfs/dbraw/zinc/87/63/13/947876313.db2.gz MFEKAHRASQJBMX-MELADBBJSA-N 0 1 379.428 0.757 20 0 GCADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1)c1ccco1 ZINC001573647054 947883255 /nfs/dbraw/zinc/88/32/55/947883255.db2.gz BCOCPXQUPNSASS-JHJVBQTASA-N 0 1 382.428 0.982 20 0 GCADMN CC(=O)CCCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573383517 947891759 /nfs/dbraw/zinc/89/17/59/947891759.db2.gz UWXFRSZHISVBNU-AWEZNQCLSA-N 0 1 387.444 0.651 20 0 GCADMN CC(=O)CCCC(=O)NC[C@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CCO1 ZINC001573383528 947894073 /nfs/dbraw/zinc/89/40/73/947894073.db2.gz VPPRAQVCKVVDRL-AWEZNQCLSA-N 0 1 387.444 0.651 20 0 GCADMN C[C@@H](C(=O)NC(C)(C)C)N(C)[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573650258 947908564 /nfs/dbraw/zinc/90/85/64/947908564.db2.gz AHGDNHKPHSIDOS-AAEUAGOBSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@@H](C(=O)NC(C)(C)C)N(C)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573650814 947913127 /nfs/dbraw/zinc/91/31/27/947913127.db2.gz FJLQMIWGBLKKAU-NWDGAFQWSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H](C(=O)NC(C)(C)C)N(C)CCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573650916 947916014 /nfs/dbraw/zinc/91/60/14/947916014.db2.gz GCBILFLVAQYPAA-GFCCVEGCSA-N 0 1 390.492 0.892 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573388642 947920224 /nfs/dbraw/zinc/92/02/24/947920224.db2.gz NFYLWQVLPDIJOX-YPMHNXCESA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573388642 947920227 /nfs/dbraw/zinc/92/02/27/947920227.db2.gz NFYLWQVLPDIJOX-YPMHNXCESA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573390019 947927443 /nfs/dbraw/zinc/92/74/43/947927443.db2.gz VWGYFEXYBZEJDH-UHFFFAOYSA-N 0 1 377.424 0.374 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573391841 947938028 /nfs/dbraw/zinc/93/80/28/947938028.db2.gz METUKPQRBAMVAH-ZDUSSCGKSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573391841 947938033 /nfs/dbraw/zinc/93/80/33/947938033.db2.gz METUKPQRBAMVAH-ZDUSSCGKSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573392702 947950591 /nfs/dbraw/zinc/95/05/91/947950591.db2.gz FOKPHHUTDUHNHS-GOSISDBHSA-N 0 1 384.444 0.169 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001573393113 947955367 /nfs/dbraw/zinc/95/53/67/947955367.db2.gz JNOUUQUWKNVRCE-WCQYABFASA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001573393113 947955373 /nfs/dbraw/zinc/95/53/73/947955373.db2.gz JNOUUQUWKNVRCE-WCQYABFASA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573393448 947958584 /nfs/dbraw/zinc/95/85/84/947958584.db2.gz NCDWMDPCYQUKQP-GOSISDBHSA-N 0 1 386.460 0.121 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@@H](C)C1 ZINC001573393685 947960140 /nfs/dbraw/zinc/96/01/40/947960140.db2.gz PADSNDKEJCLVBN-NHYWBVRUSA-N 0 1 386.460 0.119 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573393944 947960344 /nfs/dbraw/zinc/96/03/44/947960344.db2.gz RDUXGICUDUVDKT-AWEZNQCLSA-N 0 1 386.460 0.415 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573394669 947964233 /nfs/dbraw/zinc/96/42/33/947964233.db2.gz URIFGCJXSIEGNG-JSGCOSHPSA-N 0 1 386.460 0.058 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC([C@@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573394434 947964262 /nfs/dbraw/zinc/96/42/62/947964262.db2.gz UDYQMXNBIXWANQ-GFCCVEGCSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573395677 947970691 /nfs/dbraw/zinc/97/06/91/947970691.db2.gz ZSBGROOCJMUQMP-JSGCOSHPSA-N 0 1 386.460 0.058 20 0 GCADMN C[C@H](C(=O)N[C@](C)(CO)Cc1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573654847 947973510 /nfs/dbraw/zinc/97/35/10/947973510.db2.gz UAUXVZTUDBTJBB-HWPZZCPQSA-N 0 1 390.835 0.783 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573397907 947976566 /nfs/dbraw/zinc/97/65/66/947976566.db2.gz GDHGFZHDPGGEIK-JSGCOSHPSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573398148 947977931 /nfs/dbraw/zinc/97/79/31/947977931.db2.gz HGDHFWZAGGNNPZ-JSGCOSHPSA-N 0 1 386.460 0.522 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@](C)(CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573398318 947980465 /nfs/dbraw/zinc/98/04/65/947980465.db2.gz JGSYKRYDSJOMEK-SFHVURJKSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573398461 947982262 /nfs/dbraw/zinc/98/22/62/947982262.db2.gz LIVFHKFKTFVEGF-SFHVURJKSA-N 0 1 389.435 0.565 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573399503 947992020 /nfs/dbraw/zinc/99/20/20/947992020.db2.gz VTNKILVKJUYWIQ-CYBMUJFWSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573399503 947992031 /nfs/dbraw/zinc/99/20/31/947992031.db2.gz VTNKILVKJUYWIQ-CYBMUJFWSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573399855 947995943 /nfs/dbraw/zinc/99/59/43/947995943.db2.gz ZTRHSMOANJNKRQ-INIZCTEOSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N(C)CC(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573403756 948013675 /nfs/dbraw/zinc/01/36/75/948013675.db2.gz OEGMTVYBDBBSPG-UHFFFAOYSA-N 0 1 389.435 0.565 20 0 GCADMN C[C@@H](C(=O)N[C@H](COC(N)=O)Cc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573660118 948020419 /nfs/dbraw/zinc/02/04/19/948020419.db2.gz ZABOJMKUQZKAIB-JQWIXIFHSA-N 0 1 385.388 0.256 20 0 GCADMN C[C@@H](C(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCCC1)n1cccn1 ZINC001573662345 948024314 /nfs/dbraw/zinc/02/43/14/948024314.db2.gz BSTSFRGFBGYZKS-ZDUSSCGKSA-N 0 1 381.444 0.982 20 0 GCADMN C[C@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001573662384 948024616 /nfs/dbraw/zinc/02/46/16/948024616.db2.gz CKBSVWOFRZICMR-LLVKDONJSA-N 0 1 384.444 0.010 20 0 GCADMN C[C@@H](C(=O)NC1CC1)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573662326 948024788 /nfs/dbraw/zinc/02/47/88/948024788.db2.gz BMVFHUBVDNRPGT-NWDGAFQWSA-N 0 1 386.460 0.304 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573404552 948026202 /nfs/dbraw/zinc/02/62/02/948026202.db2.gz UOQKDZYEMCELEN-JSGCOSHPSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573404552 948026212 /nfs/dbraw/zinc/02/62/12/948026212.db2.gz UOQKDZYEMCELEN-JSGCOSHPSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C(=O)N[C@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573663324 948034576 /nfs/dbraw/zinc/03/45/76/948034576.db2.gz LKPODGHGPLUDLS-KPZWWZAWSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@@H](C(=O)NC1(c2ccc3c(c2)OCCO3)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573663761 948041660 /nfs/dbraw/zinc/04/16/60/948041660.db2.gz PKIAQHQOWIDHKN-JTQLQIEISA-N 0 1 382.384 0.596 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573405790 948049256 /nfs/dbraw/zinc/04/92/56/948049256.db2.gz XGNBOMXGRZRVJZ-AWEZNQCLSA-N 0 1 389.435 0.565 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001573406352 948051660 /nfs/dbraw/zinc/05/16/60/948051660.db2.gz AXCPOXJLWDONAN-DGCLKSJQSA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573406352 948051643 /nfs/dbraw/zinc/05/16/43/948051643.db2.gz AXCPOXJLWDONAN-DGCLKSJQSA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573406352 948051650 /nfs/dbraw/zinc/05/16/50/948051650.db2.gz AXCPOXJLWDONAN-DGCLKSJQSA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001573406352 948051670 /nfs/dbraw/zinc/05/16/70/948051670.db2.gz AXCPOXJLWDONAN-DGCLKSJQSA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573406555 948052883 /nfs/dbraw/zinc/05/28/83/948052883.db2.gz KMZUUWHSHYGBIF-QWHCGFSZSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573406555 948052893 /nfs/dbraw/zinc/05/28/93/948052893.db2.gz KMZUUWHSHYGBIF-QWHCGFSZSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C(=O)NC1CC1)N(C)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573664872 948061877 /nfs/dbraw/zinc/06/18/77/948061877.db2.gz YSOPCFAIGPVVNP-RISCZKNCSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H](C(=O)NC1CC1)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573664866 948063116 /nfs/dbraw/zinc/06/31/16/948063116.db2.gz YSOPCFAIGPVVNP-BXUZGUMPSA-N 0 1 386.460 0.398 20 0 GCADMN Cc1onc(CC(=O)NCc2ccccc2OCC[NH+](C)C)c1-c1nnn[n-]1 ZINC000826348043 948065280 /nfs/dbraw/zinc/06/52/80/948065280.db2.gz QVXCXKUCRUXLEH-UHFFFAOYSA-N 0 1 385.428 0.962 20 0 GCADMN Cc1onc(CC(=O)NCc2ccccc2OCC[NH+](C)C)c1-c1nn[n-]n1 ZINC000826348043 948065291 /nfs/dbraw/zinc/06/52/91/948065291.db2.gz QVXCXKUCRUXLEH-UHFFFAOYSA-N 0 1 385.428 0.962 20 0 GCADMN Cc1onc(CC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1-c1nnn[n-]1 ZINC000826348546 948074974 /nfs/dbraw/zinc/07/49/74/948074974.db2.gz RRANSVQNTVOPBX-ZDUSSCGKSA-N 0 1 397.443 0.880 20 0 GCADMN Cc1onc(CC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1-c1nn[n-]n1 ZINC000826348546 948074987 /nfs/dbraw/zinc/07/49/87/948074987.db2.gz RRANSVQNTVOPBX-ZDUSSCGKSA-N 0 1 397.443 0.880 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C)C1 ZINC001573413846 948085638 /nfs/dbraw/zinc/08/56/38/948085638.db2.gz HJSOIQBYOYAVOZ-GWCFXTLKSA-N 0 1 389.485 0.486 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)C1 ZINC001573413846 948085644 /nfs/dbraw/zinc/08/56/44/948085644.db2.gz HJSOIQBYOYAVOZ-GWCFXTLKSA-N 0 1 389.485 0.486 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573666490 948086134 /nfs/dbraw/zinc/08/61/34/948086134.db2.gz UBGAYDDXESNKGU-YPMHNXCESA-N 0 1 382.432 0.279 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C)C1 ZINC001573413929 948086389 /nfs/dbraw/zinc/08/63/89/948086389.db2.gz HJSOIQBYOYAVOZ-GXFFZTMASA-N 0 1 389.485 0.486 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)C1 ZINC001573413929 948086397 /nfs/dbraw/zinc/08/63/97/948086397.db2.gz HJSOIQBYOYAVOZ-GXFFZTMASA-N 0 1 389.485 0.486 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573666486 948087897 /nfs/dbraw/zinc/08/78/97/948087897.db2.gz UBGAYDDXESNKGU-AAEUAGOBSA-N 0 1 382.432 0.279 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)C[C@@H]2CCN2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573414701 948098096 /nfs/dbraw/zinc/09/80/96/948098096.db2.gz NZUHWOSGMMEEDO-KRWDZBQOSA-N 0 1 383.456 0.378 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC(N(C)c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001573415116 948102041 /nfs/dbraw/zinc/10/20/41/948102041.db2.gz SUTNSUZCDJZOHJ-UHFFFAOYSA-N 0 1 384.444 0.167 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573415279 948105174 /nfs/dbraw/zinc/10/51/74/948105174.db2.gz QYUSIDKKGRVYHY-UHFFFAOYSA-N 0 1 389.485 0.486 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573415279 948105179 /nfs/dbraw/zinc/10/51/79/948105179.db2.gz QYUSIDKKGRVYHY-UHFFFAOYSA-N 0 1 389.485 0.486 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)CCN(C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573415297 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/nfs/dbraw/zinc/11/69/53/948116953.db2.gz NQKPLQZDTMZPQN-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573418546 948117281 /nfs/dbraw/zinc/11/72/81/948117281.db2.gz GWVNRMOMFJPTOS-SNVBAGLBSA-N 0 1 377.474 0.343 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573418546 948117286 /nfs/dbraw/zinc/11/72/86/948117286.db2.gz GWVNRMOMFJPTOS-SNVBAGLBSA-N 0 1 377.474 0.343 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001573418907 948119613 /nfs/dbraw/zinc/11/96/13/948119613.db2.gz HXLAQJWXRZUESI-GFCCVEGCSA-N 0 1 375.458 0.097 20 0 GCADMN Cn1cc(CN2CC[C@@]3(C2)NC(=O)NC3=O)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826360601 948123414 /nfs/dbraw/zinc/12/34/14/948123414.db2.gz QOIDZVDRCHRRAL-SFHVURJKSA-N 0 1 393.411 0.051 20 0 GCADMN CC(=O)N1CC(C(=O)NCC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573421524 948140256 /nfs/dbraw/zinc/14/02/56/948140256.db2.gz GTYQIWHQFRSWJV-ZDUSSCGKSA-N 0 1 384.444 0.073 20 0 GCADMN Cn1nnnc1-c1cccc(S(=O)(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000826366894 948146042 /nfs/dbraw/zinc/14/60/42/948146042.db2.gz CIEORTJMORASEY-UHFFFAOYSA-N 0 1 383.397 0.858 20 0 GCADMN CC(=O)N1CCC(C(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573429041 948169329 /nfs/dbraw/zinc/16/93/29/948169329.db2.gz GMRWEECOCVVCHL-LBPRGKRZSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC001573429735 948175240 /nfs/dbraw/zinc/17/52/40/948175240.db2.gz LSFRNRDPARVTLO-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573429735 948175243 /nfs/dbraw/zinc/17/52/43/948175243.db2.gz LSFRNRDPARVTLO-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC001573429735 948175246 /nfs/dbraw/zinc/17/52/46/948175246.db2.gz LSFRNRDPARVTLO-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573429735 948175248 /nfs/dbraw/zinc/17/52/48/948175248.db2.gz LSFRNRDPARVTLO-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC001573429735 948175252 /nfs/dbraw/zinc/17/52/52/948175252.db2.gz LSFRNRDPARVTLO-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573680384 948178486 /nfs/dbraw/zinc/17/84/86/948178486.db2.gz NOTKEHXGLYYPEE-HTQZYQBOSA-N 0 1 378.380 0.693 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573432625 948191883 /nfs/dbraw/zinc/19/18/83/948191883.db2.gz HHUAABKVWMAKMN-SGTLLEGYSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(F)F ZINC001573681063 948193121 /nfs/dbraw/zinc/19/31/21/948193121.db2.gz SCQGULCTISSXKX-KOLCDFICSA-N 0 1 386.378 0.864 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)c1ccccc1F ZINC001573681788 948214180 /nfs/dbraw/zinc/21/41/80/948214180.db2.gz XYVWAJFHRXRYQM-NEPJUHHUSA-N 0 1 385.403 0.515 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573435727 948234986 /nfs/dbraw/zinc/23/49/86/948234986.db2.gz ZYCHFTBYBZURJJ-KPZWWZAWSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1cnn(C)c1 ZINC001573691214 948239005 /nfs/dbraw/zinc/23/90/05/948239005.db2.gz DYKVRQFQHUYZTK-NSHDSACASA-N 0 1 382.432 0.067 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[NH+]1CCCCCC1 ZINC001573691458 948243468 /nfs/dbraw/zinc/24/34/68/948243468.db2.gz HJHQOXMSOMVEED-ZDUSSCGKSA-N 0 1 385.476 0.982 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573691885 948250812 /nfs/dbraw/zinc/25/08/12/948250812.db2.gz JNJGNVFJEHXEGX-STQMWFEESA-N 0 1 386.460 0.735 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573439870 948253850 /nfs/dbraw/zinc/25/38/50/948253850.db2.gz VGYJWISPXVHOLF-TZMCWYRMSA-N 0 1 386.460 0.201 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)c1cnn(C)c1 ZINC001573692399 948262759 /nfs/dbraw/zinc/26/27/59/948262759.db2.gz PKFKTMARSDJKII-GFCCVEGCSA-N 0 1 381.444 0.672 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573441649 948272656 /nfs/dbraw/zinc/27/26/56/948272656.db2.gz LOGJRRCFLWTXNV-MLGOLLRUSA-N 0 1 386.460 0.262 20 0 GCADMN CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573441688 948275052 /nfs/dbraw/zinc/27/50/52/948275052.db2.gz MONSJBJLPZZQND-ZDUSSCGKSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573441688 948275059 /nfs/dbraw/zinc/27/50/59/948275059.db2.gz MONSJBJLPZZQND-ZDUSSCGKSA-N 0 1 391.501 0.925 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000826425183 948275060 /nfs/dbraw/zinc/27/50/60/948275060.db2.gz SNLUPXJJPZFHBD-JTQLQIEISA-N 0 1 382.306 0.327 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000826425088 948275507 /nfs/dbraw/zinc/27/55/07/948275507.db2.gz PJZRUIPSBHPFNV-UHFFFAOYSA-N 0 1 396.337 0.537 20 0 GCADMN C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573693568 948283036 /nfs/dbraw/zinc/28/30/36/948283036.db2.gz AEIBMJRIABCJCV-BJOHPYRUSA-N 0 1 382.375 0.005 20 0 GCADMN CC(=O)N1CCC[C@@H](N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2=O)C1 ZINC001573441991 948284181 /nfs/dbraw/zinc/28/41/81/948284181.db2.gz FEWWSFJYHYXTNW-CQSZACIVSA-N 0 1 384.444 0.230 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573444140 948313495 /nfs/dbraw/zinc/31/34/95/948313495.db2.gz RRCKFCBPZSSWSQ-YPMHNXCESA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573444140 948313506 /nfs/dbraw/zinc/31/35/06/948313506.db2.gz RRCKFCBPZSSWSQ-YPMHNXCESA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)N(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573445251 948323162 /nfs/dbraw/zinc/32/31/62/948323162.db2.gz ZBGAIPOBYPVOPZ-GXTWGEPZSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573446278 948325910 /nfs/dbraw/zinc/32/59/10/948325910.db2.gz CMCOWAGSVNBMHY-SWLSCSKDSA-N 0 1 386.460 0.522 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001573446573 948331222 /nfs/dbraw/zinc/33/12/22/948331222.db2.gz JIAHHNCLSKDSNY-BDJLRTHQSA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573446511 948331566 /nfs/dbraw/zinc/33/15/66/948331566.db2.gz IFAPORQVUMJRPA-XJKSGUPXSA-N 0 1 384.444 0.016 20 0 GCADMN C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573696832 948337124 /nfs/dbraw/zinc/33/71/24/948337124.db2.gz XPWFGQAGXQCQGT-XIKOKIGWSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573704780 948382407 /nfs/dbraw/zinc/38/24/07/948382407.db2.gz DRDZOUZVTKWRNE-CHWSQXEVSA-N 0 1 381.444 0.741 20 0 GCADMN O=C1CC2(CN1)CCN([C@@H]1CCCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000826479384 948390284 /nfs/dbraw/zinc/39/02/84/948390284.db2.gz XOAORRNTFXGFQO-MRXNPFEDSA-N 0 1 395.467 0.964 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573705548 948404753 /nfs/dbraw/zinc/40/47/53/948404753.db2.gz FZSGVMZRNSIKGL-IUCAKERBSA-N 0 1 386.338 0.177 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCCC1 ZINC001573706397 948418387 /nfs/dbraw/zinc/41/83/87/948418387.db2.gz IYHHAGLSSCAQTF-JSGCOSHPSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573706744 948424087 /nfs/dbraw/zinc/42/40/87/948424087.db2.gz LUNYSBRXTBOLDG-OLZOCXBDSA-N 0 1 379.428 0.798 20 0 GCADMN C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573708272 948446431 /nfs/dbraw/zinc/44/64/31/948446431.db2.gz SNYZEIPKUSNSOG-STQMWFEESA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](C(=O)NCC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573714899 948478106 /nfs/dbraw/zinc/47/81/06/948478106.db2.gz KNZVYXUTYNIQMN-QWHCGFSZSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@@H]1CCC(=O)N1 ZINC001573714930 948478298 /nfs/dbraw/zinc/47/82/98/948478298.db2.gz LNYCZVBUCLHEGG-ABAIWWIYSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H](C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1)[NH+]1CCCCCC1 ZINC001573715269 948486171 /nfs/dbraw/zinc/48/61/71/948486171.db2.gz SKJBABXGRABOMF-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1)[NH+]1CCCCCC1 ZINC001573715269 948486173 /nfs/dbraw/zinc/48/61/73/948486173.db2.gz SKJBABXGRABOMF-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](C(=O)NCCOCCN(C)c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCO1 ZINC001573715910 948495673 /nfs/dbraw/zinc/49/56/73/948495673.db2.gz ARXLWDVWEJGIGM-CHWSQXEVSA-N 0 1 390.448 0.041 20 0 GCADMN C[C@@H](C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1)N(C)CC(F)(F)F ZINC001573719257 948525026 /nfs/dbraw/zinc/52/50/26/948525026.db2.gz MITWHHTZNRRXIN-VIFPVBQESA-N 0 1 387.370 0.092 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)n1cccn1 ZINC001573728724 948562972 /nfs/dbraw/zinc/56/29/72/948562972.db2.gz QPYRGBIULGMMNA-MGPQQGTHSA-N 0 1 381.444 0.908 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573729409 948568009 /nfs/dbraw/zinc/56/80/09/948568009.db2.gz SIUJICWNZUSJEF-FRRDWIJNSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573729581 948568931 /nfs/dbraw/zinc/56/89/31/948568931.db2.gz VCBUWMLMPLALLF-LPEHRKFASA-N 0 1 384.366 0.974 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1)n1cncn1 ZINC001573736226 948613343 /nfs/dbraw/zinc/61/33/43/948613343.db2.gz JIYVALFVIBJRKD-NILFDRSVSA-N 0 1 382.432 0.376 20 0 GCADMN CC(C)c1ccc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001574416614 948753417 /nfs/dbraw/zinc/75/34/17/948753417.db2.gz ZPUCQJVJOZPCIR-ZDUSSCGKSA-N 0 1 382.428 0.405 20 0 GCADMN CC(F)(F)C1(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575223239 948760530 /nfs/dbraw/zinc/76/05/30/948760530.db2.gz LWVZDZNXRMKQNE-UHFFFAOYSA-N 0 1 378.387 0.821 20 0 GCADMN C[C@H](C(N)=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001573755662 948778190 /nfs/dbraw/zinc/77/81/90/948778190.db2.gz RVTOBYQMKRYVJA-KZULUSFZSA-N 0 1 386.460 0.387 20 0 GCADMN C[C@@H](C(N)=O)N1CC[C@]2(C1)CCCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001573755663 948779363 /nfs/dbraw/zinc/77/93/63/948779363.db2.gz RVTOBYQMKRYVJA-SGTLLEGYSA-N 0 1 386.460 0.387 20 0 GCADMN CC(F)(F)CC(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575226928 948820700 /nfs/dbraw/zinc/82/07/00/948820700.db2.gz PEJAGWNCEOWJPB-MRXNPFEDSA-N 0 1 381.387 0.494 20 0 GCADMN CC(C)c1nc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)cs1 ZINC001574424014 948836383 /nfs/dbraw/zinc/83/63/83/948836383.db2.gz AZNYLMSJBHGPAZ-SNVBAGLBSA-N 0 1 388.457 0.466 20 0 GCADMN CC(F)(F)CC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001575229176 948837935 /nfs/dbraw/zinc/83/79/35/948837935.db2.gz DHXFYBJHFWUGBG-JTQLQIEISA-N 0 1 382.375 0.414 20 0 GCADMN C[C@@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918304 948842164 /nfs/dbraw/zinc/84/21/64/948842164.db2.gz IRDUZXMNWPEKAX-NSHDSACASA-N 0 1 375.462 0.594 20 0 GCADMN C[C@@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574918304 948842180 /nfs/dbraw/zinc/84/21/80/948842180.db2.gz IRDUZXMNWPEKAX-NSHDSACASA-N 0 1 375.462 0.594 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)NC(N)=O ZINC001574684044 948856457 /nfs/dbraw/zinc/85/64/57/948856457.db2.gz AMIICGRDTIOVDU-RITPCOANSA-N 0 1 387.857 0.340 20 0 GCADMN CC(C)(C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573762724 948861597 /nfs/dbraw/zinc/86/15/97/948861597.db2.gz ZPGZFUIHKKKASZ-UHFFFAOYSA-N 0 1 388.476 0.528 20 0 GCADMN CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574425336 948873230 /nfs/dbraw/zinc/87/32/30/948873230.db2.gz DHVACWPBROZUPY-LBPRGKRZSA-N 0 1 384.448 0.783 20 0 GCADMN CC(C)c1nc(CN2C[C@@H](C)[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001574425536 948880211 /nfs/dbraw/zinc/88/02/11/948880211.db2.gz IIEPZUAMHUDOGC-ZWNOBZJWSA-N 0 1 384.448 0.687 20 0 GCADMN C[C@H](CNC(=O)CCc1nc[nH]n1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574920104 948885891 /nfs/dbraw/zinc/88/58/91/948885891.db2.gz CILATDWATXBBDL-MRVPVSSYSA-N 0 1 376.812 0.583 20 0 GCADMN CC(C)c1nc(CN2CC[C@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574426526 948889058 /nfs/dbraw/zinc/88/90/58/948889058.db2.gz RZVHBPZEQLKIEK-LLVKDONJSA-N 0 1 384.448 0.688 20 0 GCADMN CC(C)c1nnc(CN[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)C)[nH]1 ZINC001574426985 948897940 /nfs/dbraw/zinc/89/79/40/948897940.db2.gz XKVDEWVFHIXPKE-CYBMUJFWSA-N 0 1 386.464 0.981 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573765230 948901957 /nfs/dbraw/zinc/90/19/57/948901957.db2.gz XCFHSNWARQBRPD-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(F)(F)CCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001575234731 948906316 /nfs/dbraw/zinc/90/63/16/948906316.db2.gz CWQWGOKSGGYNFZ-PHIMTYICSA-N 0 1 378.387 0.987 20 0 GCADMN CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574431741 948923534 /nfs/dbraw/zinc/92/35/34/948923534.db2.gz APHRDZUCSJGYTG-GFCCVEGCSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C1=NC(=O)N(C)C1 ZINC001574686379 948931013 /nfs/dbraw/zinc/93/10/13/948931013.db2.gz HOJLMTUKMAKZCS-QMMMGPOBSA-N 0 1 375.368 0.460 20 0 GCADMN CC(F)(F)CCC(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001575236993 948940849 /nfs/dbraw/zinc/94/08/49/948940849.db2.gz CHNHFQRGKOHNAX-JTQLQIEISA-N 0 1 382.375 0.414 20 0 GCADMN C[C@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574923291 948942286 /nfs/dbraw/zinc/94/22/86/948942286.db2.gz JCUZISYBAHWDPJ-LLVKDONJSA-N 0 1 388.457 0.170 20 0 GCADMN C[C@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574923291 948942300 /nfs/dbraw/zinc/94/23/00/948942300.db2.gz JCUZISYBAHWDPJ-LLVKDONJSA-N 0 1 388.457 0.170 20 0 GCADMN CC(C)(C(=O)N[C@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573771688 948945335 /nfs/dbraw/zinc/94/53/35/948945335.db2.gz KXZJARHONZBGIQ-CQSZACIVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CNC(=O)CCn1ccccc1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574923511 948953100 /nfs/dbraw/zinc/95/31/00/948953100.db2.gz OPQCWBBBQFHYDW-CYBMUJFWSA-N 0 1 382.428 0.100 20 0 GCADMN CC(F)(F)CCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001575239408 948961879 /nfs/dbraw/zinc/96/18/79/948961879.db2.gz RNMBHQATUCTXPH-KGLIPLIRSA-N 0 1 380.399 0.963 20 0 GCADMN CC(C)(C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573772436 948962497 /nfs/dbraw/zinc/96/24/97/948962497.db2.gz BXZVWXSKMZHKTM-LBPRGKRZSA-N 0 1 391.451 0.769 20 0 GCADMN CC(C)c1ncsc1C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574433859 948966196 /nfs/dbraw/zinc/96/61/96/948966196.db2.gz SZSQSZYLGVMFNH-SNVBAGLBSA-N 0 1 388.457 0.466 20 0 GCADMN C[C@H](F)CCN1CC(N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001575241193 948975168 /nfs/dbraw/zinc/97/51/68/948975168.db2.gz CEOARXKFZFSISM-LBPRGKRZSA-N 0 1 376.440 0.385 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574925998 948981451 /nfs/dbraw/zinc/98/14/51/948981451.db2.gz FZOHEEVWVBFIGV-LBPRGKRZSA-N 0 1 391.501 0.925 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574925998 948981456 /nfs/dbraw/zinc/98/14/56/948981456.db2.gz FZOHEEVWVBFIGV-LBPRGKRZSA-N 0 1 391.501 0.925 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCCO1 ZINC001573773568 948985624 /nfs/dbraw/zinc/98/56/24/948985624.db2.gz MAGYZFOCQZRUGF-QWHCGFSZSA-N 0 1 386.460 0.947 20 0 GCADMN CC(C)c1nnc(CNC[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)o1 ZINC001574434973 948986473 /nfs/dbraw/zinc/98/64/73/948986473.db2.gz NRIJKXWJPWVCAM-NSHDSACASA-N 0 1 385.432 0.953 20 0 GCADMN CC(C)c1nc(CNC(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)n[nH]1 ZINC001574435547 948995230 /nfs/dbraw/zinc/99/52/30/948995230.db2.gz VSGQVMXOKVAXAQ-UHFFFAOYSA-N 0 1 397.447 0.535 20 0 GCADMN C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574926415 948996905 /nfs/dbraw/zinc/99/69/05/948996905.db2.gz PTTHAORZLKGWPL-CQSZACIVSA-N 0 1 380.456 0.984 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926388 948998855 /nfs/dbraw/zinc/99/88/55/948998855.db2.gz PBYSFEUTEJXQTH-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926388 948998871 /nfs/dbraw/zinc/99/88/71/948998871.db2.gz PBYSFEUTEJXQTH-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926388 948998875 /nfs/dbraw/zinc/99/88/75/948998875.db2.gz PBYSFEUTEJXQTH-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926388 948998896 /nfs/dbraw/zinc/99/88/96/948998896.db2.gz PBYSFEUTEJXQTH-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573774365 949007362 /nfs/dbraw/zinc/00/73/62/949007362.db2.gz NFCAOGVQMVJMRT-LLVKDONJSA-N 0 1 382.432 0.086 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1c[nH]cn1 ZINC001573774367 949007409 /nfs/dbraw/zinc/00/74/09/949007409.db2.gz NFCAOGVQMVJMRT-NSHDSACASA-N 0 1 382.432 0.086 20 0 GCADMN CC(C)c1nnsc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574440105 949021056 /nfs/dbraw/zinc/02/10/56/949021056.db2.gz NPGIJPQSAPFLGR-UHFFFAOYSA-N 0 1 386.445 0.594 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575502293 949021770 /nfs/dbraw/zinc/02/17/70/949021770.db2.gz JXQGPDNLYJCMLX-VXGBXAGGSA-N 0 1 381.400 0.214 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCC1 ZINC001573774793 949022912 /nfs/dbraw/zinc/02/29/12/949022912.db2.gz WGKDBDVQDAXGNH-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCC1 ZINC001573774793 949022932 /nfs/dbraw/zinc/02/29/32/949022932.db2.gz WGKDBDVQDAXGNH-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCC1)[NH+]1CCCC1 ZINC001573775248 949036821 /nfs/dbraw/zinc/03/68/21/949036821.db2.gz UVIOWDSWSFUQRH-UHFFFAOYSA-N 0 1 385.476 0.404 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574441028 949049010 /nfs/dbraw/zinc/04/90/10/949049010.db2.gz AHHPSKLMILACLI-JTQLQIEISA-N 0 1 391.457 0.920 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574441028 949049030 /nfs/dbraw/zinc/04/90/30/949049030.db2.gz AHHPSKLMILACLI-JTQLQIEISA-N 0 1 391.457 0.920 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575504070 949056843 /nfs/dbraw/zinc/05/68/43/949056843.db2.gz ROZORROJGBGMRG-LLVKDONJSA-N 0 1 381.400 0.002 20 0 GCADMN CC(C)[C@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574092236 949057451 /nfs/dbraw/zinc/05/74/51/949057451.db2.gz RJHIBQIDZMLMEZ-CHWSQXEVSA-N 0 1 386.460 0.396 20 0 GCADMN CC(C)[C@@H]1C[C@H](CC(=O)N(C)CCNc2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574092318 949058602 /nfs/dbraw/zinc/05/86/02/949058602.db2.gz NUBPZQJPHOCWFG-KGLIPLIRSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C ZINC001575248427 949067794 /nfs/dbraw/zinc/06/77/94/949067794.db2.gz RQBSXDJOGSHYEW-VXGBXAGGSA-N 0 1 388.476 0.493 20 0 GCADMN C[C@@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575504419 949070438 /nfs/dbraw/zinc/07/04/38/949070438.db2.gz TZNFYLATGLHSKG-JHJVBQTASA-N 0 1 380.412 0.605 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CCC1)[NH+]1CCCC1 ZINC001573779842 949070705 /nfs/dbraw/zinc/07/07/05/949070705.db2.gz NSNKILUYTZTDDS-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CCC1)[NH+]1CCCC1 ZINC001573779842 949070727 /nfs/dbraw/zinc/07/07/27/949070727.db2.gz NSNKILUYTZTDDS-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN C[C@H](CNC(=O)CN1CCCNC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574929117 949079692 /nfs/dbraw/zinc/07/96/92/949079692.db2.gz YPZFGHNOBPKHTQ-LLVKDONJSA-N 0 1 390.423 0.015 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001573780368 949088663 /nfs/dbraw/zinc/08/86/63/949088663.db2.gz XGDTYZFKUBXBDE-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602789736 971548273 /nfs/dbraw/zinc/54/82/73/971548273.db2.gz UQPCEQPFSGNIEP-AVYPCKFXSA-N 0 1 391.443 0.896 20 0 GCADMN C[C@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccsc1-c1nn[nH]n1)C(N)=O ZINC001575510131 949121486 /nfs/dbraw/zinc/12/14/86/949121486.db2.gz GJFCMNLHBZNCGJ-SKDRFNHKSA-N 0 1 392.466 0.864 20 0 GCADMN CC(C)c1ocnc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446171 949121790 /nfs/dbraw/zinc/12/17/90/949121790.db2.gz IZCDPUNUHLIJNL-WDEREUQCSA-N 0 1 383.416 0.763 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574696597 949132099 /nfs/dbraw/zinc/13/20/99/949132099.db2.gz RQZSUJRQLDVRDM-LBPRGKRZSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574696597 949132109 /nfs/dbraw/zinc/13/21/09/949132109.db2.gz RQZSUJRQLDVRDM-LBPRGKRZSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574696597 949132128 /nfs/dbraw/zinc/13/21/28/949132128.db2.gz RQZSUJRQLDVRDM-LBPRGKRZSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574696597 949132153 /nfs/dbraw/zinc/13/21/53/949132153.db2.gz RQZSUJRQLDVRDM-LBPRGKRZSA-N 0 1 375.481 0.941 20 0 GCADMN CC(C)S(=O)(=O)CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934386 949159743 /nfs/dbraw/zinc/15/97/43/949159743.db2.gz GZNBBFLJIJJQIB-JTQLQIEISA-N 0 1 386.503 0.346 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574697581 949159656 /nfs/dbraw/zinc/15/96/56/949159656.db2.gz BCTHUYANEVWYKR-KBPBESRZSA-N 0 1 387.492 0.602 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575252461 949162559 /nfs/dbraw/zinc/16/25/59/949162559.db2.gz GHKINOMPFUIEMQ-QWHCGFSZSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575252461 949162571 /nfs/dbraw/zinc/16/25/71/949162571.db2.gz GHKINOMPFUIEMQ-QWHCGFSZSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574697920 949166979 /nfs/dbraw/zinc/16/69/79/949166979.db2.gz DGJQKFKEGDNYNS-OLZOCXBDSA-N 0 1 382.428 0.805 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574697957 949167455 /nfs/dbraw/zinc/16/74/55/949167455.db2.gz DNKLDWNSCATNAM-GXTWGEPZSA-N 0 1 384.419 0.918 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698323 949188374 /nfs/dbraw/zinc/18/83/74/949188374.db2.gz JBEHXCMEVSJHKK-NXEZZACHSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698323 949188384 /nfs/dbraw/zinc/18/83/84/949188384.db2.gz JBEHXCMEVSJHKK-NXEZZACHSA-N 0 1 386.503 0.298 20 0 GCADMN CC(C)c1oncc1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001574448818 949193529 /nfs/dbraw/zinc/19/35/29/949193529.db2.gz MQIUZYKZNXTJLG-UHFFFAOYSA-N 0 1 386.416 0.342 20 0 GCADMN CC(C)(C(N)=O)C(=O)N[C@@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001573788502 949195398 /nfs/dbraw/zinc/19/53/98/949195398.db2.gz KIXBRRVBAPXTIF-CYBMUJFWSA-N 0 1 384.444 0.248 20 0 GCADMN C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935701 949206873 /nfs/dbraw/zinc/20/68/73/949206873.db2.gz FRRXNNBAANTUNY-JTQLQIEISA-N 0 1 383.416 0.706 20 0 GCADMN CC(C)c1oncc1C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574451207 949219843 /nfs/dbraw/zinc/21/98/43/949219843.db2.gz HHAQSCYKNMEEAD-UHFFFAOYSA-N 0 1 383.416 0.811 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)CC2OCCCO2)CC1 ZINC001575853977 949223593 /nfs/dbraw/zinc/22/35/93/949223593.db2.gz PPMALHYAZKAFLI-UHFFFAOYSA-N 0 1 388.432 0.025 20 0 GCADMN C[C@H](c1cnccn1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001575517183 949227200 /nfs/dbraw/zinc/22/72/00/949227200.db2.gz UPIDFQWTGPEDHZ-ZRJCITRHSA-N 0 1 379.428 0.654 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C[C@@H]2CCCOC2)CC1 ZINC001575854667 949237416 /nfs/dbraw/zinc/23/74/16/949237416.db2.gz ZNGFAPSPGWASIO-ZDUSSCGKSA-N 0 1 386.460 0.688 20 0 GCADMN CC(C)n1cc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574451987 949252222 /nfs/dbraw/zinc/25/22/22/949252222.db2.gz DCOIMRXCMSSGNH-ZDUSSCGKSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccc2n[nH]cc2c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574940225 949255493 /nfs/dbraw/zinc/25/54/93/949255493.db2.gz BWILHOSLTBTYEK-NSHDSACASA-N 0 1 392.427 0.717 20 0 GCADMN CC(C)n1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001574452949 949274709 /nfs/dbraw/zinc/27/47/09/949274709.db2.gz SHGQCAZVNQEJLV-UHFFFAOYSA-N 0 1 382.432 0.573 20 0 GCADMN CC(C)(C)C(=O)C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573793063 949282658 /nfs/dbraw/zinc/28/26/58/949282658.db2.gz JTMWIDGMWCYVRW-NEPJUHHUSA-N 0 1 384.444 0.842 20 0 GCADMN CC(C)n1cc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574454747 949285811 /nfs/dbraw/zinc/28/58/11/949285811.db2.gz BUDQOOQVTFGNCF-AULYBMBSSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@H](CNC(=O)Cc1cn(C)c2ccccc12)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574941175 949293406 /nfs/dbraw/zinc/29/34/06/949293406.db2.gz BLAHUGHJMITPFM-GFCCVEGCSA-N 0 1 391.439 0.730 20 0 GCADMN C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574703619 949340467 /nfs/dbraw/zinc/34/04/67/949340467.db2.gz DTUGZPZRYWBBLK-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574703619 949340486 /nfs/dbraw/zinc/34/04/86/949340486.db2.gz DTUGZPZRYWBBLK-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703981 949362988 /nfs/dbraw/zinc/36/29/88/949362988.db2.gz IRZRJXXFFQSRST-CYBMUJFWSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@H](NC(=O)[C@H]1CCC(=O)NC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260738 949364011 /nfs/dbraw/zinc/36/40/11/949364011.db2.gz XIOQOPLBFSJCKQ-WFASDCNBSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cnon1 ZINC001576154825 949365868 /nfs/dbraw/zinc/36/58/68/949365868.db2.gz FMVACIAFZGGPLB-MGPLVRAMSA-N 0 1 384.404 0.252 20 0 GCADMN CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574460934 949380721 /nfs/dbraw/zinc/38/07/21/949380721.db2.gz ZKLZIWRUAWABEA-CYBMUJFWSA-N 0 1 382.432 0.112 20 0 GCADMN CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575527998 949384827 /nfs/dbraw/zinc/38/48/27/949384827.db2.gz KTIFLTXTXDQVRM-XIKOKIGWSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574463989 949391884 /nfs/dbraw/zinc/39/18/84/949391884.db2.gz DPIQACVMEWAGTR-TXEJJXNPSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)c1 ZINC001574464166 949395467 /nfs/dbraw/zinc/39/54/67/949395467.db2.gz HSTQDMFCAHHFCS-GFCCVEGCSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573800591 949400858 /nfs/dbraw/zinc/40/08/58/949400858.db2.gz ZDPUDXJCCSWGIN-GFCCVEGCSA-N 0 1 386.460 0.249 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575263576 949402952 /nfs/dbraw/zinc/40/29/52/949402952.db2.gz ICSZTOSRXOYENN-STQMWFEESA-N 0 1 387.492 0.504 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573801763 949404959 /nfs/dbraw/zinc/40/49/59/949404959.db2.gz CBLUGKILGDFDQK-AWEZNQCLSA-N 0 1 386.460 0.153 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)c1 ZINC001574464370 949411238 /nfs/dbraw/zinc/41/12/38/949411238.db2.gz MGWGJIWLPYWNRA-NSHDSACASA-N 0 1 390.473 0.586 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)c1 ZINC001574464370 949411249 /nfs/dbraw/zinc/41/12/49/949411249.db2.gz MGWGJIWLPYWNRA-NSHDSACASA-N 0 1 390.473 0.586 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574704950 949412030 /nfs/dbraw/zinc/41/20/30/949412030.db2.gz GHHHQGNVAANVMO-VXGBXAGGSA-N 0 1 381.444 0.786 20 0 GCADMN C[C@H](CNC(=O)Cc1nnc[nH]1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574945547 949414740 /nfs/dbraw/zinc/41/47/40/949414740.db2.gz LYVQDUVOXCJOCK-MRVPVSSYSA-N 0 1 376.812 0.440 20 0 GCADMN C[C@@H](NC(=O)[C@@H]1COCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575264279 949420602 /nfs/dbraw/zinc/42/06/02/949420602.db2.gz NLESOBILQPGALL-BZNIZROVSA-N 0 1 390.419 0.358 20 0 GCADMN C[C@]1(C(=O)N2CCC(CCNc3ccnc(-c4nn[nH]n4)n3)CC2)CCOC1 ZINC001575534594 949431426 /nfs/dbraw/zinc/43/14/26/949431426.db2.gz OQXABEJVGCSIBV-SFHVURJKSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@@H](NC(=O)[C@H]1COCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264959 949438861 /nfs/dbraw/zinc/43/88/61/949438861.db2.gz RFNMGOQRUFMILY-ZWNOBZJWSA-N 0 1 378.458 0.280 20 0 GCADMN C[C@H](NC(=O)[C@H]1CCNC(=O)C1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575266197 949472477 /nfs/dbraw/zinc/47/24/77/949472477.db2.gz XWEXMFUZSDCNMB-QWRGUYRKSA-N 0 1 389.485 0.391 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575266199 949473050 /nfs/dbraw/zinc/47/30/50/949473050.db2.gz XWEXMFUZSDCNMB-WDEREUQCSA-N 0 1 389.485 0.391 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574469287 949476505 /nfs/dbraw/zinc/47/65/05/949476505.db2.gz ADPWJCUQYGLFIG-NSHDSACASA-N 0 1 390.473 0.586 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574469287 949476519 /nfs/dbraw/zinc/47/65/19/949476519.db2.gz ADPWJCUQYGLFIG-NSHDSACASA-N 0 1 390.473 0.586 20 0 GCADMN CC(C)n1nccc1C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470119 949489562 /nfs/dbraw/zinc/48/95/62/949489562.db2.gz MKROYTZTGQEARS-QGZVFWFLSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574118949 949494403 /nfs/dbraw/zinc/49/44/03/949494403.db2.gz HBFUKWQMDUBHLV-GFCCVEGCSA-N 0 1 389.464 0.150 20 0 GCADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccn[nH]1 ZINC001576158499 949500277 /nfs/dbraw/zinc/50/02/77/949500277.db2.gz TXAACAOXCHQUNB-GTNSWQLSSA-N 0 1 382.432 0.593 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574708877 949500854 /nfs/dbraw/zinc/50/08/54/949500854.db2.gz XZFBBRDWLTUBJU-QWRGUYRKSA-N 0 1 382.432 0.181 20 0 GCADMN CC(C)(C)[C@@H](CNC(=O)CN1CCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573808190 949509956 /nfs/dbraw/zinc/50/99/56/949509956.db2.gz DNICWUVCRTXMQL-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574120902 949513193 /nfs/dbraw/zinc/51/31/93/949513193.db2.gz OPKZQOWWCULXDU-ZDUSSCGKSA-N 0 1 388.476 0.495 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470818 949516654 /nfs/dbraw/zinc/51/66/54/949516654.db2.gz UTFJZRUUOPJBCO-LBPRGKRZSA-N 0 1 382.432 0.690 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574710885 949519367 /nfs/dbraw/zinc/51/93/67/949519367.db2.gz BSOCERGJRKFBHY-DGCLKSJQSA-N 0 1 379.428 0.462 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871772 949520218 /nfs/dbraw/zinc/52/02/18/949520218.db2.gz BZSALVIXOYHGNV-GXTWGEPZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCNC(=O)C1 ZINC001575538418 949521631 /nfs/dbraw/zinc/52/16/31/949521631.db2.gz GYOJKVKDMRASRY-KPZWWZAWSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871645 949521684 /nfs/dbraw/zinc/52/16/84/949521684.db2.gz BTAMIVYQCRVOBP-OLZOCXBDSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871645 949521704 /nfs/dbraw/zinc/52/17/04/949521704.db2.gz BTAMIVYQCRVOBP-OLZOCXBDSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[NH+](C)C ZINC001576159465 949523150 /nfs/dbraw/zinc/52/31/50/949523150.db2.gz XJTWROLGKNERAU-UGSOOPFHSA-N 0 1 387.492 0.507 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574711163 949525778 /nfs/dbraw/zinc/52/57/78/949525778.db2.gz DWYBECGZBMZXPG-NEPJUHHUSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574711163 949525795 /nfs/dbraw/zinc/52/57/95/949525795.db2.gz DWYBECGZBMZXPG-NEPJUHHUSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575871948 949526613 /nfs/dbraw/zinc/52/66/13/949526613.db2.gz DCLIZNXVYPDMHU-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575871948 949526629 /nfs/dbraw/zinc/52/66/29/949526629.db2.gz DCLIZNXVYPDMHU-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574471273 949532903 /nfs/dbraw/zinc/53/29/03/949532903.db2.gz LCYDJSWLYCNKRC-QWRGUYRKSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574471273 949532918 /nfs/dbraw/zinc/53/29/18/949532918.db2.gz LCYDJSWLYCNKRC-QWRGUYRKSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163852 949538697 /nfs/dbraw/zinc/53/86/97/949538697.db2.gz CWKFQLCOYSEVTF-VXGBXAGGSA-N 0 1 386.416 0.006 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711548 949541140 /nfs/dbraw/zinc/54/11/40/949541140.db2.gz IZASIDFGJDJVBO-SJKOYZFVSA-N 0 1 379.424 0.946 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711488 949542565 /nfs/dbraw/zinc/54/25/65/949542565.db2.gz HTIGXQWSGMTNGN-WCQYABFASA-N 0 1 380.412 0.514 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872395 949546562 /nfs/dbraw/zinc/54/65/62/949546562.db2.gz IUWYKGSLBDDZJX-RYUDHWBXSA-N 0 1 390.423 0.649 20 0 GCADMN CC(C)CC(=O)NCCC(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001574123239 949547461 /nfs/dbraw/zinc/54/74/61/949547461.db2.gz OGIIZXQIVGQQHJ-UHFFFAOYSA-N 0 1 397.443 0.997 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575539398 949548933 /nfs/dbraw/zinc/54/89/33/949548933.db2.gz PQPNFTVTEXGUPA-KZULUSFZSA-N 0 1 384.444 0.003 20 0 GCADMN CC(C)n1ncnc1CNCC1CC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574472451 949551595 /nfs/dbraw/zinc/55/15/95/949551595.db2.gz VAKPBUBQMWHDBS-UHFFFAOYSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCOC1 ZINC001575539734 949555495 /nfs/dbraw/zinc/55/54/95/949555495.db2.gz SHSLUIBRRQHLMP-SCLBCKFNSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@H]1CCCC[C@@H]1OCC(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164565 949557751 /nfs/dbraw/zinc/55/77/51/949557751.db2.gz HKWHCALRVKYIMS-KBPBESRZSA-N 0 1 388.476 0.934 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711841 949560877 /nfs/dbraw/zinc/56/08/77/949560877.db2.gz NCGRSPQQVNODBB-AAEUAGOBSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2=CCOCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164942 949563941 /nfs/dbraw/zinc/56/39/41/949563941.db2.gz INYUKIJRJGFHCK-TZMCWYRMSA-N 0 1 384.444 0.464 20 0 GCADMN CC(C)n1ncnc1CNCC1CC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574472968 949564638 /nfs/dbraw/zinc/56/46/38/949564638.db2.gz XMESAZUBSRIARO-UHFFFAOYSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711943 949565128 /nfs/dbraw/zinc/56/51/28/949565128.db2.gz OIJUBZJTTGTERO-GXTWGEPZSA-N 0 1 378.440 0.752 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)NC(N)=O ZINC001574475469 949566206 /nfs/dbraw/zinc/56/62/06/949566206.db2.gz AIXTYLKWAPYHBV-WFASDCNBSA-N 0 1 386.460 0.346 20 0 GCADMN C[C@@H](NC(=O)CC1(O)CCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575269893 949568694 /nfs/dbraw/zinc/56/86/94/949568694.db2.gz XGSQDPIGSWXQQQ-CHWSQXEVSA-N 0 1 386.460 0.683 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574475966 949583385 /nfs/dbraw/zinc/58/33/85/949583385.db2.gz DPXQRRBOKMCQBG-CHWSQXEVSA-N 0 1 390.492 0.772 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956975 949594131 /nfs/dbraw/zinc/59/41/31/949594131.db2.gz OQTXFAWWPMUTKP-KOLCDFICSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574956975 949594150 /nfs/dbraw/zinc/59/41/50/949594150.db2.gz OQTXFAWWPMUTKP-KOLCDFICSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCn2cccn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873947 949595184 /nfs/dbraw/zinc/59/51/84/949595184.db2.gz CSLMYJJNDOSWKF-STQMWFEESA-N 0 1 382.432 0.417 20 0 GCADMN C[C@]1(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCOC1 ZINC001575545254 949598633 /nfs/dbraw/zinc/59/86/33/949598633.db2.gz JQKCSRWXPYOBGL-ACJLOTCBSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@H](CC(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(N)=O ZINC001574476454 949601106 /nfs/dbraw/zinc/60/11/06/949601106.db2.gz CUJCEBLSEWYFQO-LURJTMIESA-N 0 1 387.857 0.294 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270906 949607331 /nfs/dbraw/zinc/60/73/31/949607331.db2.gz HBYLLXAEORVCDG-UONOGXRCSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270906 949607341 /nfs/dbraw/zinc/60/73/41/949607341.db2.gz HBYLLXAEORVCDG-UONOGXRCSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001574713718 949608483 /nfs/dbraw/zinc/60/84/83/949608483.db2.gz BOCWWHNJLMGFPM-OLZOCXBDSA-N 0 1 381.444 0.926 20 0 GCADMN C[C@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271063 949609107 /nfs/dbraw/zinc/60/91/07/949609107.db2.gz HUASLBCHWLWPRB-STQMWFEESA-N 0 1 381.444 0.802 20 0 GCADMN C[C@@H](NC(=O)CCCc1cccnc1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271060 949611737 /nfs/dbraw/zinc/61/17/37/949611737.db2.gz HUASLBCHWLWPRB-CHWSQXEVSA-N 0 1 381.444 0.802 20 0 GCADMN C[C@@]1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCCOC1 ZINC001575547224 949621663 /nfs/dbraw/zinc/62/16/63/949621663.db2.gz WDRWADVNHGSHLK-SCLBCKFNSA-N 0 1 386.460 0.688 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1nc[nH]n1 ZINC001573812870 949625556 /nfs/dbraw/zinc/62/55/56/949625556.db2.gz VQSZPOVUXFDXSY-GFCCVEGCSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575875220 949627257 /nfs/dbraw/zinc/62/72/57/949627257.db2.gz HPLVJEVXTUFYMO-SMDDNHRTSA-N 0 1 382.432 0.486 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813336 949629243 /nfs/dbraw/zinc/62/92/43/949629243.db2.gz YPMAKIANVPAMKE-NTZNESFSSA-N 0 1 391.501 0.670 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813336 949629258 /nfs/dbraw/zinc/62/92/58/949629258.db2.gz YPMAKIANVPAMKE-NTZNESFSSA-N 0 1 391.501 0.670 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575547555 949629571 /nfs/dbraw/zinc/62/95/71/949629571.db2.gz ZQQFQXOSRIUWIE-KZULUSFZSA-N 0 1 384.444 0.003 20 0 GCADMN CC1(C(=O)N2CCCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575547550 949630329 /nfs/dbraw/zinc/63/03/29/949630329.db2.gz ZMYCEIKERLWUNE-ZDUSSCGKSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575547554 949631628 /nfs/dbraw/zinc/63/16/28/949631628.db2.gz ZQQFQXOSRIUWIE-KPZWWZAWSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575875386 949632657 /nfs/dbraw/zinc/63/26/57/949632657.db2.gz WGRIXRMWKCVFRP-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575875386 949632663 /nfs/dbraw/zinc/63/26/63/949632663.db2.gz WGRIXRMWKCVFRP-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575272087 949634166 /nfs/dbraw/zinc/63/41/66/949634166.db2.gz NHRZUHJZEJATIA-WDSKDSINSA-N 0 1 387.857 0.340 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575875852 949635844 /nfs/dbraw/zinc/63/58/44/949635844.db2.gz WIIZXSKYHKBLKI-QWHCGFSZSA-N 0 1 385.476 0.615 20 0 GCADMN CC1(C(=O)N2CCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCCC1 ZINC001575547670 949636176 /nfs/dbraw/zinc/63/61/76/949636176.db2.gz BVGQZSYYSWGRGO-CYBMUJFWSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574958043 949647097 /nfs/dbraw/zinc/64/70/97/949647097.db2.gz DINNAHMPDGZEKY-DDTOSNHZSA-N 0 1 382.403 0.938 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573814762 949649116 /nfs/dbraw/zinc/64/91/16/949649116.db2.gz FNKJHLKXIGDPDQ-QWHCGFSZSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H](CC(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574477343 949650635 /nfs/dbraw/zinc/65/06/35/949650635.db2.gz QKCKTDGNLGMNJG-ZDUSSCGKSA-N 0 1 384.448 0.789 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575876797 949652968 /nfs/dbraw/zinc/65/29/68/949652968.db2.gz KMIXNNNLTSXVIA-GXFFZTMASA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168968 949658094 /nfs/dbraw/zinc/65/80/94/949658094.db2.gz DEXHZYSONBGNAC-GXTWGEPZSA-N 0 1 381.444 0.688 20 0 GCADMN C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169109 949661820 /nfs/dbraw/zinc/66/18/20/949661820.db2.gz FEOLPZSGDBBEDT-KGLIPLIRSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@@H](NC(=O)CCCCC(N)=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575273571 949666122 /nfs/dbraw/zinc/66/61/22/949666122.db2.gz WUOSXEGDFMWHCE-CYBMUJFWSA-N 0 1 385.472 0.849 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575273788 949672038 /nfs/dbraw/zinc/67/20/38/949672038.db2.gz YBZZVVKNEDCZBG-KGLIPLIRSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H]1CCCCN1C(=O)CNC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001576169398 949676795 /nfs/dbraw/zinc/67/67/95/949676795.db2.gz XTPOEGWCFOMNCO-GFCCVEGCSA-N 0 1 386.460 0.448 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCCN1c1ncc(-c2nn[nH]n2)cc1F ZINC001575878258 949677570 /nfs/dbraw/zinc/67/75/70/949677570.db2.gz OEXGJPYXKIZPCU-DOMZBBRYSA-N 0 1 388.451 0.970 20 0 GCADMN C[C@H]1CCCN(C(=O)C(N)=O)[C@H]1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001576169514 949680190 /nfs/dbraw/zinc/68/01/90/949680190.db2.gz YLHJYIJYIIIXCT-HZMBPMFUSA-N 0 1 375.408 0.208 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)NC(N)=O ZINC001574477924 949684403 /nfs/dbraw/zinc/68/44/03/949684403.db2.gz WKDCHPJZFSRCHE-DOMZBBRYSA-N 0 1 386.460 0.346 20 0 GCADMN C[C@H](CC(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(N)=O ZINC001574477881 949685964 /nfs/dbraw/zinc/68/59/64/949685964.db2.gz VWDLRVMNLJTURC-LLVKDONJSA-N 0 1 392.439 0.343 20 0 GCADMN C[C@H](NC(=O)CCc1cnc[nH]1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575275033 949693520 /nfs/dbraw/zinc/69/35/20/949693520.db2.gz BQSFHUOTEDPVCO-JTQLQIEISA-N 0 1 383.416 0.127 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)Nc1ccncc1-c1nn[nH]n1 ZINC001574958775 949694351 /nfs/dbraw/zinc/69/43/51/949694351.db2.gz WIPFWSHBLZPBSN-QWRGUYRKSA-N 0 1 384.400 0.012 20 0 GCADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1nc[nH]n1 ZINC001573817223 949698904 /nfs/dbraw/zinc/69/89/04/949698904.db2.gz YVCIQVLSRQJZDU-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575880619 949703017 /nfs/dbraw/zinc/70/30/17/949703017.db2.gz UZACTVLNHOQRTJ-MFKMUULPSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001574478199 949704449 /nfs/dbraw/zinc/70/44/49/949704449.db2.gz WGLHEJFMFXBWOM-BBRMVZONSA-N 0 1 389.460 0.122 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574478374 949704627 /nfs/dbraw/zinc/70/46/27/949704627.db2.gz YWHXVEJEKBKEDB-NEPJUHHUSA-N 0 1 386.416 0.097 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574959109 949705318 /nfs/dbraw/zinc/70/53/18/949705318.db2.gz ZCVADINCPJWOOP-LMOYCYGVSA-N 0 1 387.444 0.254 20 0 GCADMN C[C@@H](NC(=O)CCOc1ccccc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575276130 949712559 /nfs/dbraw/zinc/71/25/59/949712559.db2.gz GTXFSMAJBHRQPV-QWHCGFSZSA-N 0 1 382.428 0.853 20 0 GCADMN CC(C)C[C@@H](C)CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574133482 949713483 /nfs/dbraw/zinc/71/34/83/949713483.db2.gz FATFSVYDJIQGDK-ZIAGYGMSSA-N 0 1 375.477 0.987 20 0 GCADMN C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001574478843 949725529 /nfs/dbraw/zinc/72/55/29/949725529.db2.gz BJTFICZQMDUDCO-GXTWGEPZSA-N 0 1 386.460 0.687 20 0 GCADMN C[C@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575276769 949731023 /nfs/dbraw/zinc/73/10/23/949731023.db2.gz LBBDTUFVVIKOOT-STQMWFEESA-N 0 1 389.460 0.574 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574962918 949743219 /nfs/dbraw/zinc/74/32/19/949743219.db2.gz FKIJCEWNCJMSNL-QMTHXVAHSA-N 0 1 375.408 0.269 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574962990 949744558 /nfs/dbraw/zinc/74/45/58/949744558.db2.gz GZXSOKCOOJAGOD-XHDPSFHLSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@]3(C)C2)CCOC1 ZINC001575559045 949746490 /nfs/dbraw/zinc/74/64/90/949746490.db2.gz UCCBDQDAPRTSMN-UUWFMWQGSA-N 0 1 384.444 0.368 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCc1cn[nH]c1 ZINC001573819295 949748881 /nfs/dbraw/zinc/74/88/81/949748881.db2.gz SRLJHLJCPCYHGG-HNNXBMFYSA-N 0 1 383.460 0.982 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574963779 949762007 /nfs/dbraw/zinc/76/20/07/949762007.db2.gz NAXARNNDYVIQEW-IINYFYTJSA-N 0 1 375.408 0.221 20 0 GCADMN O=C([O-])c1cnc(C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)cn1 ZINC001595267305 949763527 /nfs/dbraw/zinc/76/35/27/949763527.db2.gz NKPQUXNTQUDWOX-UHFFFAOYSA-N 0 1 385.424 0.935 20 0 GCADMN C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171497 949767858 /nfs/dbraw/zinc/76/78/58/949767858.db2.gz RGQCZJUXEVROJE-DKBOKBLXSA-N 0 1 384.444 0.010 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCCOC1 ZINC001575559884 949768889 /nfs/dbraw/zinc/76/88/89/949768889.db2.gz YUWQVGNYUSCZEN-TYILLQQXSA-N 0 1 398.471 0.758 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CO[C@@H]1CCOC1 ZINC001573820695 949770240 /nfs/dbraw/zinc/77/02/40/949770240.db2.gz YXNWWYMYRDDVJL-IUODEOHRSA-N 0 1 389.460 0.432 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718442 949781649 /nfs/dbraw/zinc/78/16/49/949781649.db2.gz XIIZTVHOASGACD-MNOVXSKESA-N 0 1 378.458 0.818 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718442 949781664 /nfs/dbraw/zinc/78/16/64/949781664.db2.gz XIIZTVHOASGACD-MNOVXSKESA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574964968 949791827 /nfs/dbraw/zinc/79/18/27/949791827.db2.gz CLUUPOIGNBEGPY-IYQDAUBNSA-N 0 1 384.853 0.562 20 0 GCADMN C[C@]1(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CCOC1 ZINC001575560570 949793550 /nfs/dbraw/zinc/79/35/50/949793550.db2.gz SDUDLYNSUTXCAI-SJCJKPOMSA-N 0 1 384.444 0.558 20 0 GCADMN C[C@@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574721133 949807981 /nfs/dbraw/zinc/80/79/81/949807981.db2.gz JLKWGHRXOSXIJZ-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574721133 949808009 /nfs/dbraw/zinc/80/80/09/949808009.db2.gz JLKWGHRXOSXIJZ-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281284 949808769 /nfs/dbraw/zinc/80/87/69/949808769.db2.gz FGVAAECLQQIKGU-NWDGAFQWSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281284 949808795 /nfs/dbraw/zinc/80/87/95/949808795.db2.gz FGVAAECLQQIKGU-NWDGAFQWSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481924 949809783 /nfs/dbraw/zinc/80/97/83/949809783.db2.gz XQKMRGRPOIUYCA-NXEZZACHSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574481924 949809806 /nfs/dbraw/zinc/80/98/06/949809806.db2.gz XQKMRGRPOIUYCA-NXEZZACHSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574965709 949810056 /nfs/dbraw/zinc/81/00/56/949810056.db2.gz JYJATVYCQUKGLI-XVMARJQXSA-N 0 1 384.853 0.039 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574965761 949812309 /nfs/dbraw/zinc/81/23/09/949812309.db2.gz LNYNWAUQJMUJTL-ZMZPIMSZSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)NC(N)=O ZINC001574482022 949814964 /nfs/dbraw/zinc/81/49/64/949814964.db2.gz YVCFINHYHNKAOG-MFKMUULPSA-N 0 1 390.423 0.143 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575281760 949815773 /nfs/dbraw/zinc/81/57/73/949815773.db2.gz APOZUWVVKNFFAM-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575281760 949815794 /nfs/dbraw/zinc/81/57/94/949815794.db2.gz APOZUWVVKNFFAM-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575281760 949815808 /nfs/dbraw/zinc/81/58/08/949815808.db2.gz APOZUWVVKNFFAM-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575883591 949818115 /nfs/dbraw/zinc/81/81/15/949818115.db2.gz RQKOIYYSZOFGGA-MFKMUULPSA-N 0 1 383.416 0.270 20 0 GCADMN CC(C)(C)[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573823323 949825422 /nfs/dbraw/zinc/82/54/22/949825422.db2.gz UVWBAJOYMFHQKP-GFCCVEGCSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)(C)[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573823323 949825443 /nfs/dbraw/zinc/82/54/43/949825443.db2.gz UVWBAJOYMFHQKP-GFCCVEGCSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575282455 949838986 /nfs/dbraw/zinc/83/89/86/949838986.db2.gz BPSVVSXELOIBDV-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575282455 949839004 /nfs/dbraw/zinc/83/90/04/949839004.db2.gz BPSVVSXELOIBDV-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575282455 949839023 /nfs/dbraw/zinc/83/90/23/949839023.db2.gz BPSVVSXELOIBDV-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575282455 949839046 /nfs/dbraw/zinc/83/90/46/949839046.db2.gz BPSVVSXELOIBDV-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574483960 949849801 /nfs/dbraw/zinc/84/98/01/949849801.db2.gz AONXUJZIRRPILP-OLZOCXBDSA-N 0 1 382.432 0.329 20 0 GCADMN C[C@@]1(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCCOC1 ZINC001575564088 949854555 /nfs/dbraw/zinc/85/45/55/949854555.db2.gz NVFDCLYGTRNMGS-PWGQDJSOSA-N 0 1 386.460 0.735 20 0 GCADMN CC(C)C[C@H](C)CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574142188 949858266 /nfs/dbraw/zinc/85/82/66/949858266.db2.gz XALQNUBALIVDGZ-SCLBCKFNSA-N 0 1 388.476 0.786 20 0 GCADMN CC(C)C[C@@H](C)CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574142187 949858399 /nfs/dbraw/zinc/85/83/99/949858399.db2.gz XALQNUBALIVDGZ-FZKQIMNGSA-N 0 1 388.476 0.786 20 0 GCADMN CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)C1 ZINC001573825174 949864371 /nfs/dbraw/zinc/86/43/71/949864371.db2.gz LLLSZJOZWNFJRU-FIYWTHMPSA-N 0 1 386.460 0.395 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574724581 949872295 /nfs/dbraw/zinc/87/22/95/949872295.db2.gz HSEJVHNMEJHWLJ-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1nccnc1-c1nnn[n-]1 ZINC001574724581 949872312 /nfs/dbraw/zinc/87/23/12/949872312.db2.gz HSEJVHNMEJHWLJ-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574724581 949872337 /nfs/dbraw/zinc/87/23/37/949872337.db2.gz HSEJVHNMEJHWLJ-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1nccnc1-c1nn[n-]n1 ZINC001574724581 949872359 /nfs/dbraw/zinc/87/23/59/949872359.db2.gz HSEJVHNMEJHWLJ-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178043 949874586 /nfs/dbraw/zinc/87/45/86/949874586.db2.gz AOYHQWIBIYTSMX-ZJUUUORDSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178014 949875938 /nfs/dbraw/zinc/87/59/38/949875938.db2.gz AMJYELFXAQJVCZ-WCQYABFASA-N 0 1 383.416 0.810 20 0 GCADMN CC(C)(C)C12CC(C(=O)NC[C@@H](CO)Nc3ccnc(-c4nn[nH]n4)n3)(C1)C2 ZINC001573825441 949877428 /nfs/dbraw/zinc/87/74/28/949877428.db2.gz VUAORSVOWDGAIV-NVWNAPEYSA-N 0 1 386.460 0.184 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574968139 949886084 /nfs/dbraw/zinc/88/60/84/949886084.db2.gz MBZLKSYNWRFBGA-YUSALJHKSA-N 0 1 383.416 0.204 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575886578 949889446 /nfs/dbraw/zinc/88/94/46/949889446.db2.gz MYPXCADDFVEIGM-PWSUYJOCSA-N 0 1 381.400 0.545 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178551 949890996 /nfs/dbraw/zinc/89/09/96/949890996.db2.gz CDWKKNWCNJFALV-RYUDHWBXSA-N 0 1 383.416 0.810 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnco2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178544 949891673 /nfs/dbraw/zinc/89/16/73/949891673.db2.gz CDWKKNWCNJFALV-NEPJUHHUSA-N 0 1 383.416 0.810 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574484932 949911807 /nfs/dbraw/zinc/91/18/07/949911807.db2.gz RYPHMJOYNBYOMT-KGLIPLIRSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@H](CN(C)C(=O)COCc1ccncc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574725907 949912961 /nfs/dbraw/zinc/91/29/61/949912961.db2.gz DEWSODFMCSWCCG-ZDUSSCGKSA-N 0 1 382.428 0.554 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574484984 949913378 /nfs/dbraw/zinc/91/33/78/949913378.db2.gz TYPJONUZDUEIHR-KGLIPLIRSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@]1(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCC(=O)NC1 ZINC001575569354 949918826 /nfs/dbraw/zinc/91/88/26/949918826.db2.gz JMPBZJODOVPLTQ-GOSISDBHSA-N 0 1 384.444 0.263 20 0 GCADMN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574725981 949920500 /nfs/dbraw/zinc/92/05/00/949920500.db2.gz DZLZXBMLXXQBIH-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574485220 949920511 /nfs/dbraw/zinc/92/05/11/949920511.db2.gz VIGRYFNYMNJSDE-KBPBESRZSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574725981 949920512 /nfs/dbraw/zinc/92/05/12/949920512.db2.gz DZLZXBMLXXQBIH-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575889090 949925366 /nfs/dbraw/zinc/92/53/66/949925366.db2.gz RSRICGUDCSOOFE-ZWNOBZJWSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CC(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)NC(N)=O ZINC001574485303 949928139 /nfs/dbraw/zinc/92/81/39/949928139.db2.gz WUPSSMHONWJCAQ-ZDUSSCGKSA-N 0 1 386.460 0.348 20 0 GCADMN CC1(C(=O)N[C@@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@@H]2O)CC1 ZINC001575569782 949930339 /nfs/dbraw/zinc/93/03/39/949930339.db2.gz NWAPUFYWVREITG-SFYZADRCSA-N 0 1 383.865 0.833 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575890120 949941714 /nfs/dbraw/zinc/94/17/14/949941714.db2.gz VMDGYPAWSNKUSV-MFKMUULPSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CCn1ccccc1=O ZINC001575285294 949943190 /nfs/dbraw/zinc/94/31/90/949943190.db2.gz MLOCYYSBGBLNAB-OLZOCXBDSA-N 0 1 382.428 0.241 20 0 GCADMN C[C@H](NC(=O)CN1CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285476 949948725 /nfs/dbraw/zinc/94/87/25/949948725.db2.gz NPULGYZIUPBLEX-LBPRGKRZSA-N 0 1 391.501 0.197 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574973056 949952555 /nfs/dbraw/zinc/95/25/55/949952555.db2.gz GHWKFUVDENZHGC-MVWJERBFSA-N 0 1 383.416 0.298 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001574489345 949964980 /nfs/dbraw/zinc/96/49/80/949964980.db2.gz IVKPYCJTZQGQFX-WPRPVWTQSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@H](C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@H](C)NC(N)=O ZINC001574489645 949967642 /nfs/dbraw/zinc/96/76/42/949967642.db2.gz KBZWAGFJPQUQMP-VHSXEESVSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(=O)C[C@H](C)NC(N)=O ZINC001574489645 949967661 /nfs/dbraw/zinc/96/76/61/949967661.db2.gz KBZWAGFJPQUQMP-VHSXEESVSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)[C@@H]1CCN(C2CCC2)C1=O ZINC001574974168 949969514 /nfs/dbraw/zinc/96/95/14/949969514.db2.gz LJLCKLZQSNDMIW-XHDPSFHLSA-N 0 1 386.460 0.398 20 0 GCADMN CC(C)(C)CC(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001573830633 949976363 /nfs/dbraw/zinc/97/63/63/949976363.db2.gz MRPYYWUAGIOEQP-SFHVURJKSA-N 0 1 386.460 0.901 20 0 GCADMN CC1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575572606 949980424 /nfs/dbraw/zinc/98/04/24/949980424.db2.gz HGIRSRUJQWRJRI-SNVBAGLBSA-N 0 1 378.387 0.821 20 0 GCADMN CC(C)C[C@H](CNC(=O)CN1CCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574148711 949989371 /nfs/dbraw/zinc/98/93/71/949989371.db2.gz OWMZRCSTEDBWIG-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575573522 949999558 /nfs/dbraw/zinc/99/95/58/949999558.db2.gz MSUVAMXRYWPZTH-MEDUHNTESA-N 0 1 380.474 0.312 20 0 GCADMN C[C@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574729074 950017467 /nfs/dbraw/zinc/01/74/67/950017467.db2.gz NDJGKZUOYUHSFG-SNVBAGLBSA-N 0 1 388.382 0.858 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574491630 950038034 /nfs/dbraw/zinc/03/80/34/950038034.db2.gz FBXFNGNMNNCJAR-VXGBXAGGSA-N 0 1 387.448 0.184 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574491612 950038098 /nfs/dbraw/zinc/03/80/98/950038098.db2.gz DXMWAMKWCFLYQW-JSGCOSHPSA-N 0 1 379.428 0.940 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182182 950039471 /nfs/dbraw/zinc/03/94/71/950039471.db2.gz NMHVGYGHBZCSBK-GXFFZTMASA-N 0 1 385.457 0.888 20 0 GCADMN C[C@H](CC(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574492015 950056863 /nfs/dbraw/zinc/05/68/63/950056863.db2.gz IGUVUCUVLJRNDX-OLZOCXBDSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574492016 950058536 /nfs/dbraw/zinc/05/85/36/950058536.db2.gz IGUVUCUVLJRNDX-QWHCGFSZSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183043 950074142 /nfs/dbraw/zinc/07/41/42/950074142.db2.gz QMWAHRGMBMFTRS-MLGOLLRUSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1nccn1C ZINC001576183019 950074299 /nfs/dbraw/zinc/07/42/99/950074299.db2.gz QJPOVCFRLCRNJP-IUODEOHRSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1nccn1C ZINC001576183017 950075227 /nfs/dbraw/zinc/07/52/27/950075227.db2.gz QJPOVCFRLCRNJP-DOMZBBRYSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183292 950083168 /nfs/dbraw/zinc/08/31/68/950083168.db2.gz PCMMGIBMECAWLL-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574151597 950083452 /nfs/dbraw/zinc/08/34/52/950083452.db2.gz VZLCQYOBHWFVMW-UHTWSYAYSA-N 0 1 391.501 0.670 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574151597 950083480 /nfs/dbraw/zinc/08/34/80/950083480.db2.gz VZLCQYOBHWFVMW-UHTWSYAYSA-N 0 1 391.501 0.670 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183623 950096895 /nfs/dbraw/zinc/09/68/95/950096895.db2.gz QUIVATOCLHAXMS-KBPBESRZSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183623 950096913 /nfs/dbraw/zinc/09/69/13/950096913.db2.gz QUIVATOCLHAXMS-KBPBESRZSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1ccn(C)n1 ZINC001576183993 950109481 /nfs/dbraw/zinc/10/94/81/950109481.db2.gz UWHDRVSRCDHCKK-MLGOLLRUSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)N(C)c1nccs1 ZINC001574977259 950119125 /nfs/dbraw/zinc/11/91/25/950119125.db2.gz IJMLCTXBRMNVKH-VIFPVBQESA-N 0 1 389.445 0.022 20 0 GCADMN C[C@]1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)CCC(=O)NC1 ZINC001575582628 950124871 /nfs/dbraw/zinc/12/48/71/950124871.db2.gz LOZPWQBUNJBNRL-KRWDZBQOSA-N 0 1 384.444 0.051 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574733979 950127472 /nfs/dbraw/zinc/12/74/72/950127472.db2.gz IOCVUPQHPFDEHC-IINYFYTJSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576184612 950132906 /nfs/dbraw/zinc/13/29/06/950132906.db2.gz WVOGAMUVOPUZQW-QMTHXVAHSA-N 0 1 383.416 0.589 20 0 GCADMN C[C@H]1CCN(C(=O)COCC2CC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184678 950139363 /nfs/dbraw/zinc/13/93/63/950139363.db2.gz WYFPYZJNXLHOCO-GXTWGEPZSA-N 0 1 386.460 0.402 20 0 GCADMN CC1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575583259 950142721 /nfs/dbraw/zinc/14/27/21/950142721.db2.gz KUIVREOYGHZQHR-ZDUSSCGKSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184925 950145616 /nfs/dbraw/zinc/14/56/16/950145616.db2.gz YGZFAYONUIEQGO-STQMWFEESA-N 0 1 381.444 0.546 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)Nc1cccc(F)c1 ZINC001574979117 950146855 /nfs/dbraw/zinc/14/68/55/950146855.db2.gz WHABLBUJIHBFQO-JTQLQIEISA-N 0 1 386.391 0.681 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734965 950154314 /nfs/dbraw/zinc/15/43/14/950154314.db2.gz WAETYBGHISANFD-FPMFFAJLSA-N 0 1 386.460 0.400 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574154633 950175123 /nfs/dbraw/zinc/17/51/23/950175123.db2.gz FMOIHUULOVTJKC-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574154633 950175138 /nfs/dbraw/zinc/17/51/38/950175138.db2.gz FMOIHUULOVTJKC-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574154633 950175152 /nfs/dbraw/zinc/17/51/52/950175152.db2.gz FMOIHUULOVTJKC-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574154633 950175168 /nfs/dbraw/zinc/17/51/68/950175168.db2.gz FMOIHUULOVTJKC-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576190843 950175488 /nfs/dbraw/zinc/17/54/88/950175488.db2.gz CDMDIOFIDOQKLX-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCc1cnsn1 ZINC001576190977 950179149 /nfs/dbraw/zinc/17/91/49/950179149.db2.gz FILIJZSURMOKTQ-CMPLNLGQSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CN[C@@H](C)c1nnnn1C1CC1 ZINC001574982710 950179564 /nfs/dbraw/zinc/17/95/64/950179564.db2.gz GMAWTNHTPJLRNT-UWVGGRQHSA-N 0 1 385.436 0.233 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CN[C@@H](C)c1nnnn1C1CC1 ZINC001574982712 950179945 /nfs/dbraw/zinc/17/99/45/950179945.db2.gz GMAWTNHTPJLRNT-ZJUUUORDSA-N 0 1 385.436 0.233 20 0 GCADMN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CNCc1cnsn1 ZINC001576190979 950181357 /nfs/dbraw/zinc/18/13/57/950181357.db2.gz FILIJZSURMOKTQ-PWSUYJOCSA-N 0 1 387.473 0.934 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001574155060 950181689 /nfs/dbraw/zinc/18/16/89/950181689.db2.gz JCOUFOMBOONWFO-CYBMUJFWSA-N 0 1 384.448 0.377 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574155182 950183223 /nfs/dbraw/zinc/18/32/23/950183223.db2.gz JOEWRSMDLNOKAJ-KBPBESRZSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574155182 950183232 /nfs/dbraw/zinc/18/32/32/950183232.db2.gz JOEWRSMDLNOKAJ-KBPBESRZSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574155182 950183240 /nfs/dbraw/zinc/18/32/40/950183240.db2.gz JOEWRSMDLNOKAJ-KBPBESRZSA-N 0 1 387.492 0.363 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574982750 950184175 /nfs/dbraw/zinc/18/41/75/950184175.db2.gz GGAWBRRGXGINNX-VIFPVBQESA-N 0 1 386.391 0.341 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574155247 950186758 /nfs/dbraw/zinc/18/67/58/950186758.db2.gz KMKMHADENPQJIO-ZIAGYGMSSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574155247 950186770 /nfs/dbraw/zinc/18/67/70/950186770.db2.gz KMKMHADENPQJIO-ZIAGYGMSSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574155247 950186786 /nfs/dbraw/zinc/18/67/86/950186786.db2.gz KMKMHADENPQJIO-ZIAGYGMSSA-N 0 1 387.492 0.363 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCNC1=O ZINC001575585302 950191786 /nfs/dbraw/zinc/19/17/86/950191786.db2.gz YKVOCQVRSFKDKY-KPZWWZAWSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(Br)c1)Nc1ccnc(-c2nn[nH]n2)n1 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/nfs/dbraw/zinc/20/33/78/950203378.db2.gz HJQFUFINRAPNSO-SWLSCSKDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191600 950204620 /nfs/dbraw/zinc/20/46/20/950204620.db2.gz HIKDPLLROGBTSA-NEPJUHHUSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC[C@H]1CCCO1 ZINC001574155696 950205361 /nfs/dbraw/zinc/20/53/61/950205361.db2.gz QJLYVSUXXBKCBE-UONOGXRCSA-N 0 1 388.476 0.981 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001574155695 950206598 /nfs/dbraw/zinc/20/65/98/950206598.db2.gz QJLYVSUXXBKCBE-KGLIPLIRSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192108 950222232 /nfs/dbraw/zinc/22/22/32/950222232.db2.gz LTUIKXYKLUZQME-QKNJOQAUSA-N 0 1 383.456 0.473 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574740241 950224337 /nfs/dbraw/zinc/22/43/37/950224337.db2.gz CNGYARXWQKACRF-WQAKAFBOSA-N 0 1 375.408 0.064 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1CNCc1ncccn1 ZINC001576192094 950225323 /nfs/dbraw/zinc/22/53/23/950225323.db2.gz LQSVQXQQAHXNCI-QWHCGFSZSA-N 0 1 381.444 0.873 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576192288 950238363 /nfs/dbraw/zinc/23/83/63/950238363.db2.gz NCKVLKIKUWBGKD-JQWIXIFHSA-N 0 1 383.416 0.446 20 0 GCADMN C[C@H]1CCN(C(=O)c2csnn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192331 950239397 /nfs/dbraw/zinc/23/93/97/950239397.db2.gz LVNSKURRUKZZKC-QWRGUYRKSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192415 950243531 /nfs/dbraw/zinc/24/35/31/950243531.db2.gz MVWQWKWERSTDAM-STQMWFEESA-N 0 1 379.428 0.684 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192413 950243574 /nfs/dbraw/zinc/24/35/74/950243574.db2.gz MVWQWKWERSTDAM-QWHCGFSZSA-N 0 1 379.428 0.684 20 0 GCADMN 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CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574157838 950257945 /nfs/dbraw/zinc/25/79/45/950257945.db2.gz JOTPMWVANROVKT-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574157838 950257965 /nfs/dbraw/zinc/25/79/65/950257965.db2.gz JOTPMWVANROVKT-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574157838 950257982 /nfs/dbraw/zinc/25/79/82/950257982.db2.gz JOTPMWVANROVKT-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192590 950258521 /nfs/dbraw/zinc/25/85/21/950258521.db2.gz NTZWLOHANYYYQU-RYUDHWBXSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192897 950272789 /nfs/dbraw/zinc/27/27/89/950272789.db2.gz RFIDKUXNQDSVBS-OLZOCXBDSA-N 0 1 379.428 0.684 20 0 GCADMN 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ZINC001575592636 950290253 /nfs/dbraw/zinc/29/02/53/950290253.db2.gz IEOSOWIAPXMPQZ-MRXNPFEDSA-N 0 1 377.474 0.440 20 0 GCADMN C[C@]1(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCC(=O)NC1 ZINC001575592835 950298802 /nfs/dbraw/zinc/29/88/02/950298802.db2.gz CLBKJGDEZGCKKM-IBGZPJMESA-N 0 1 383.456 0.331 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193896 950315980 /nfs/dbraw/zinc/31/59/80/950315980.db2.gz VWCDIYQNFMMORW-UWVGGRQHSA-N 0 1 386.445 0.140 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193980 950323645 /nfs/dbraw/zinc/32/36/45/950323645.db2.gz WYONUFJISRVCMR-NEPJUHHUSA-N 0 1 380.416 0.079 20 0 GCADMN CC(C)(C)OC(=O)N1CC(N(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C2CC2)C1 ZINC001573853511 950327361 /nfs/dbraw/zinc/32/73/61/950327361.db2.gz QNXQAAZFAKTUHG-UHFFFAOYSA-N 0 1 389.420 0.069 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576194268 950334413 /nfs/dbraw/zinc/33/44/13/950334413.db2.gz 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GCADMN C[C@H](CN(C)C(=O)c1c[nH]nc1C(C)(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574744244 950349044 /nfs/dbraw/zinc/34/90/44/950349044.db2.gz YBKUXJZPRWOPOJ-SNVBAGLBSA-N 0 1 384.448 0.672 20 0 GCADMN CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)CCc1nc[nH]n1 ZINC001574161231 950350921 /nfs/dbraw/zinc/35/09/21/950350921.db2.gz SCVVFMVMAIGNCH-LBPRGKRZSA-N 0 1 384.448 0.955 20 0 GCADMN CC(C)N(CCN(C)c1ccnc(-c2nnn[n-]2)n1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576196210 950351427 /nfs/dbraw/zinc/35/14/27/950351427.db2.gz ARQDHCFLSPUDGN-AWEZNQCLSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576196210 950351446 /nfs/dbraw/zinc/35/14/46/950351446.db2.gz ARQDHCFLSPUDGN-AWEZNQCLSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1ccnc(-c2nn[n-]n2)n1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576196210 950351470 /nfs/dbraw/zinc/35/14/70/950351470.db2.gz ARQDHCFLSPUDGN-AWEZNQCLSA-N 0 1 387.492 0.672 20 0 GCADMN C[C@]1(C(=O)NCCNc2ccnc(-c3nn[nH]n3)n2)CCCc2ccccc21 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GPKLTKKGTKVQQR-NSHDSACASA-N 0 1 381.444 0.867 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576213860 950650799 /nfs/dbraw/zinc/65/07/99/950650799.db2.gz JPROESIRMCWKEU-MGPQQGTHSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576213860 950650806 /nfs/dbraw/zinc/65/08/06/950650806.db2.gz JPROESIRMCWKEU-MGPQQGTHSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576213860 950650820 /nfs/dbraw/zinc/65/08/20/950650820.db2.gz JPROESIRMCWKEU-MGPQQGTHSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576213860 950650831 /nfs/dbraw/zinc/65/08/31/950650831.db2.gz JPROESIRMCWKEU-MGPQQGTHSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C(N)=O)cc1 ZINC001575922773 950651366 /nfs/dbraw/zinc/65/13/66/950651366.db2.gz AKJJJISVCPKKTI-XHDPSFHLSA-N 0 1 392.423 0.498 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nn[n-]n4)C[C@H]32)C1 ZINC001576213841 950652668 /nfs/dbraw/zinc/65/26/68/950652668.db2.gz JIEWLZBZHXKTHC-SDFXEEBMSA-N 0 1 385.447 0.898 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nn[n-]n4)C[C@H]32)C1 ZINC001576213841 950652679 /nfs/dbraw/zinc/65/26/79/950652679.db2.gz JIEWLZBZHXKTHC-SDFXEEBMSA-N 0 1 385.447 0.898 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1cccnc1 ZINC001575923270 950656344 /nfs/dbraw/zinc/65/63/44/950656344.db2.gz QCYSOPZBSWMBDI-OCCSQVGLSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575923214 950656397 /nfs/dbraw/zinc/65/63/97/950656397.db2.gz PTZUQLFVQDMTLE-BXKDBHETSA-N 0 1 380.416 0.394 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccc1 ZINC001574518921 950665076 /nfs/dbraw/zinc/66/50/76/950665076.db2.gz RUQSKYBRRWSZGY-BCUIYNNISA-N 0 1 379.428 0.660 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCn1cncn1 ZINC001575924166 950667835 /nfs/dbraw/zinc/66/78/35/950667835.db2.gz RTVHCTUUMDKBDO-GXTWGEPZSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760527 950668033 /nfs/dbraw/zinc/66/80/33/950668033.db2.gz WNLRAUNWXRXSQV-NSHDSACASA-N 0 1 379.428 0.924 20 0 GCADMN CC1(C)CC(C(=O)N2CCC(O)(CNc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001575624531 950671162 /nfs/dbraw/zinc/67/11/62/950671162.db2.gz KJBIEMVXQSHFSD-UHFFFAOYSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC001575924535 950677406 /nfs/dbraw/zinc/67/74/06/950677406.db2.gz SHSRXZCKKVXBPX-PWSUYJOCSA-N 0 1 390.411 0.670 20 0 GCADMN C[C@](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)(NC(=O)CN1CCCC1)C1CC1 ZINC001575005336 950680541 /nfs/dbraw/zinc/68/05/41/950680541.db2.gz BIPQESIKFNZTNE-GOSISDBHSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576214727 950680637 /nfs/dbraw/zinc/68/06/37/950680637.db2.gz BVEHOUMYOUXOJV-MNOVXSKESA-N 0 1 381.444 0.762 20 0 GCADMN C[C@@H](CNC(=O)c1cc[n+]([O-])cc1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575005443 950684039 /nfs/dbraw/zinc/68/40/39/950684039.db2.gz FHIUPHWVOVYJJP-ZETCQYMHSA-N 0 1 380.821 0.840 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccnn1C ZINC001575925310 950685310 /nfs/dbraw/zinc/68/53/10/950685310.db2.gz GVGIPGRIBOEXIL-SWLSCSKDSA-N 0 1 381.444 0.451 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575925847 950692688 /nfs/dbraw/zinc/69/26/88/950692688.db2.gz VJZFOHAPCXNXAI-YUMQZZPRSA-N 0 1 391.848 0.904 20 0 GCADMN CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001575925778 950692769 /nfs/dbraw/zinc/69/27/69/950692769.db2.gz UUVHPWCQUCIXSZ-NWDGAFQWSA-N 0 1 382.432 0.571 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215188 950692877 /nfs/dbraw/zinc/69/28/77/950692877.db2.gz DOIIKYAILWKGIT-VXGBXAGGSA-N 0 1 381.444 0.693 20 0 GCADMN CC[N@@H+]1CCc2nc(NC(=O)C3(C(=O)[O-])CCS(=O)(=O)CC3)sc2C1 ZINC001589882322 950694036 /nfs/dbraw/zinc/69/40/36/950694036.db2.gz MQEVPVPOPYJQNU-UHFFFAOYSA-N 0 1 387.483 0.739 20 0 GCADMN CC[N@H+]1CCc2nc(NC(=O)C3(C(=O)[O-])CCS(=O)(=O)CC3)sc2C1 ZINC001589882322 950694045 /nfs/dbraw/zinc/69/40/45/950694045.db2.gz MQEVPVPOPYJQNU-UHFFFAOYSA-N 0 1 387.483 0.739 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnn2c1C[C@@H](C)CC2 ZINC001576215337 950694542 /nfs/dbraw/zinc/69/45/42/950694542.db2.gz FNXYYISXYDALKO-NWDGAFQWSA-N 0 1 381.444 0.693 20 0 GCADMN CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)CC2 ZINC001575626261 950704819 /nfs/dbraw/zinc/70/48/19/950704819.db2.gz XTLNSRYEQQZYLY-MLZJXEJWSA-N 0 1 385.472 0.789 20 0 GCADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573878380 950704763 /nfs/dbraw/zinc/70/47/63/950704763.db2.gz OOVOUNSBLITHBT-YNEHKIRRSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574762616 950708780 /nfs/dbraw/zinc/70/87/80/950708780.db2.gz ZPEGUYOQEHELMW-NSHDSACASA-N 0 1 384.448 0.603 20 0 GCADMN C[C@H](CN(C)C(=O)c1cn(C(C)(C)C)nn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574762614 950709899 /nfs/dbraw/zinc/70/98/99/950709899.db2.gz ZPEGUYOQEHELMW-LLVKDONJSA-N 0 1 384.448 0.603 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575926460 950709938 /nfs/dbraw/zinc/70/99/38/950709938.db2.gz KDWISWAUQFNCAX-NHYWBVRUSA-N 0 1 382.403 0.862 20 0 GCADMN CC1(C)CC(C(=O)NC[C@@]2(C)CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001575628273 950714631 /nfs/dbraw/zinc/71/46/31/950714631.db2.gz BLGVRGBJYMYRGG-SFHVURJKSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575926658 950719848 /nfs/dbraw/zinc/71/98/48/950719848.db2.gz YAMHLDNXPLEIRZ-SCZZXKLOSA-N 0 1 390.358 0.385 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574763609 950723510 /nfs/dbraw/zinc/72/35/10/950723510.db2.gz GOGCVCULYXQVSU-SECBINFHSA-N 0 1 375.462 0.494 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574763609 950723522 /nfs/dbraw/zinc/72/35/22/950723522.db2.gz GOGCVCULYXQVSU-SECBINFHSA-N 0 1 375.462 0.494 20 0 GCADMN CC1(C)CC(C(=O)N[C@]2(CO)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575628541 950723546 /nfs/dbraw/zinc/72/35/46/950723546.db2.gz FDRPOPLJVLMUJL-GOSISDBHSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnnn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574763660 950727822 /nfs/dbraw/zinc/72/78/22/950727822.db2.gz HKPTZLCADJIHPE-ZCFIWIBFSA-N 0 1 382.841 0.678 20 0 GCADMN C[C@@H](CNC(=O)c1cc2n(n1)CCO2)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575006980 950727927 /nfs/dbraw/zinc/72/79/27/950727927.db2.gz ZMLZHEUZECNUGB-JTQLQIEISA-N 0 1 386.391 0.503 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576216302 950728890 /nfs/dbraw/zinc/72/88/90/950728890.db2.gz DGJLPSHNTFYFPS-ZJUUUORDSA-N 0 1 380.403 0.876 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575926987 950730899 /nfs/dbraw/zinc/73/08/99/950730899.db2.gz ZMRUDNZLZAJLFP-KGLIPLIRSA-N 0 1 385.476 0.356 20 0 GCADMN CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)cn1 ZINC001575927068 950732871 /nfs/dbraw/zinc/73/28/71/950732871.db2.gz ZXTIGUIWUBMLLB-WCQYABFASA-N 0 1 382.432 0.571 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763842 950735002 /nfs/dbraw/zinc/73/50/02/950735002.db2.gz LYZVGJIRMUUIKJ-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927135 950736997 /nfs/dbraw/zinc/73/69/97/950736997.db2.gz NSHPUVRNCODBCJ-DGCLKSJQSA-N 0 1 386.460 0.247 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763961 950739230 /nfs/dbraw/zinc/73/92/30/950739230.db2.gz NVYHIVANZKWRHK-QMMMGPOBSA-N 0 1 376.812 0.038 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574181431 950742379 /nfs/dbraw/zinc/74/23/79/950742379.db2.gz NAALFRWEMJDVKE-CYBMUJFWSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216625 950742930 /nfs/dbraw/zinc/74/29/30/950742930.db2.gz FAIJBVWWWVYEFI-BDAKNGLRSA-N 0 1 382.350 0.680 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1n[nH]c2c1C[C@H](C)CC2 ZINC001576216935 950744223 /nfs/dbraw/zinc/74/42/23/950744223.db2.gz KEZOMBNOCWGJID-ZJUUUORDSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575927648 950748675 /nfs/dbraw/zinc/74/86/75/950748675.db2.gz RFZNGKOAKHDUSJ-SKDRFNHKSA-N 0 1 382.384 0.091 20 0 GCADMN CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574182072 950756908 /nfs/dbraw/zinc/75/69/08/950756908.db2.gz UBEXXPIWNOTSHE-GFCCVEGCSA-N 0 1 389.464 0.150 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575927874 950761190 /nfs/dbraw/zinc/76/11/90/950761190.db2.gz VLHLPEAONDLRLJ-FZMZJTMJSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@H](CN(C)[C@@H]1CCN(C2CCC2)C1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765333 950782060 /nfs/dbraw/zinc/78/20/60/950782060.db2.gz CDEMFRHESXERQY-IAQYHMDHSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H](CN(C)[C@@H]1CCN(C2CCC2)C1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765338 950785771 /nfs/dbraw/zinc/78/57/71/950785771.db2.gz CDEMFRHESXERQY-XHDPSFHLSA-N 0 1 386.460 0.398 20 0 GCADMN CC(C)(C)c1nc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001573884139 950788217 /nfs/dbraw/zinc/78/82/17/950788217.db2.gz ACSUSJHIAQIQGA-SNVBAGLBSA-N 0 1 383.416 0.951 20 0 GCADMN CC(C)(C)c1nc(CN2CC[C@@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 ZINC001573884275 950792569 /nfs/dbraw/zinc/79/25/69/950792569.db2.gz CCSTUXXPCVXNDV-SNVBAGLBSA-N 0 1 384.448 0.615 20 0 GCADMN C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574765621 950796885 /nfs/dbraw/zinc/79/68/85/950796885.db2.gz IRANXNLXUOTSPX-VIFPVBQESA-N 0 1 389.441 0.870 20 0 GCADMN C[C@@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574765621 950796898 /nfs/dbraw/zinc/79/68/98/950796898.db2.gz IRANXNLXUOTSPX-VIFPVBQESA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1ccnn1 ZINC001574522905 950801335 /nfs/dbraw/zinc/80/13/35/950801335.db2.gz LTLOLQAIAGRFTM-NWDGAFQWSA-N 0 1 389.489 0.983 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCn1ccnn1 ZINC001574522905 950801359 /nfs/dbraw/zinc/80/13/59/950801359.db2.gz LTLOLQAIAGRFTM-NWDGAFQWSA-N 0 1 389.489 0.983 20 0 GCADMN CC(C)CCCC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574186466 950813508 /nfs/dbraw/zinc/81/35/08/950813508.db2.gz DSGTVGMQCXROMZ-SFHVURJKSA-N 0 1 388.476 0.670 20 0 GCADMN CC(C)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574186691 950816635 /nfs/dbraw/zinc/81/66/35/950816635.db2.gz ILDYGHYAXHCVSZ-ZIAGYGMSSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)[C@H]1CCN(C2CCC2)C1=O ZINC001575010613 950823696 /nfs/dbraw/zinc/82/36/96/950823696.db2.gz GQFCBWRFKKXERT-ABAIWWIYSA-N 0 1 386.460 0.398 20 0 GCADMN CC(C)(C)c1nc(CN2CC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n[nH]1 ZINC001573885381 950824186 /nfs/dbraw/zinc/82/41/86/950824186.db2.gz PPNVVYMZSRLOBS-NSHDSACASA-N 0 1 384.448 0.615 20 0 GCADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1nc[nH]n1 ZINC001575933277 950838046 /nfs/dbraw/zinc/83/80/46/950838046.db2.gz NTQJJBKUSIQJGD-WDSKDSINSA-N 0 1 380.825 0.810 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573888143 950862644 /nfs/dbraw/zinc/86/26/44/950862644.db2.gz PEXOAPHNTMGVIW-AOOOYVTPSA-N 0 1 383.416 0.737 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573888721 950876704 /nfs/dbraw/zinc/87/67/04/950876704.db2.gz ZJEIRGYJOVZKIJ-SNVBAGLBSA-N 0 1 383.416 0.951 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576225930 950877004 /nfs/dbraw/zinc/87/70/04/950877004.db2.gz ACQWPXNXGVNDSU-TZMCWYRMSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576225930 950877018 /nfs/dbraw/zinc/87/70/18/950877018.db2.gz ACQWPXNXGVNDSU-TZMCWYRMSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CNC(=O)C1CC1 ZINC001574524888 950877584 /nfs/dbraw/zinc/87/75/84/950877584.db2.gz ZZSYKKUXUBPTSD-GHMZBOCLSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CNC(=O)C1CC1 ZINC001574524888 950877603 /nfs/dbraw/zinc/87/76/03/950877603.db2.gz ZZSYKKUXUBPTSD-GHMZBOCLSA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)CCCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001574189836 950897915 /nfs/dbraw/zinc/89/79/15/950897915.db2.gz RWIUNUYTXAPLNT-UHFFFAOYSA-N 0 1 388.476 0.982 20 0 GCADMN CC1(C)C[C@@H](NC(=O)c2cnn[nH]2)CCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575640730 950900130 /nfs/dbraw/zinc/90/01/30/950900130.db2.gz KDMSRAIJNMXDOZ-LBPRGKRZSA-N 0 1 382.432 0.805 20 0 GCADMN CC(C)c1nnsc1C(=O)N(C)C[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768691 950902151 /nfs/dbraw/zinc/90/21/51/950902151.db2.gz VIEOCKTTWYNQKU-SECBINFHSA-N 0 1 388.461 0.626 20 0 GCADMN CC(C)(C)n1cc(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)nn1 ZINC001573894166 950921557 /nfs/dbraw/zinc/92/15/57/950921557.db2.gz ORMQKFGHASMGCH-UHFFFAOYSA-N 0 1 382.432 0.405 20 0 GCADMN CC(C)(C)n1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001573894523 950932966 /nfs/dbraw/zinc/93/29/66/950932966.db2.gz URYVJPPPXNJAPD-HAQNSBGRSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576229076 950958635 /nfs/dbraw/zinc/95/86/35/950958635.db2.gz IRYUTSAPKMRDCJ-STQMWFEESA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576229076 950958647 /nfs/dbraw/zinc/95/86/47/950958647.db2.gz IRYUTSAPKMRDCJ-STQMWFEESA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)(CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C1CC1 ZINC001573897426 950960134 /nfs/dbraw/zinc/96/01/34/950960134.db2.gz PCLBURYAJCUAOW-CHWSQXEVSA-N 0 1 386.460 0.539 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576229075 950960252 /nfs/dbraw/zinc/96/02/52/950960252.db2.gz IRYUTSAPKMRDCJ-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576229075 950960262 /nfs/dbraw/zinc/96/02/62/950960262.db2.gz IRYUTSAPKMRDCJ-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576229030 950960489 /nfs/dbraw/zinc/96/04/89/950960489.db2.gz IMFNLLNQPGZTMD-QWHCGFSZSA-N 0 1 385.476 0.212 20 0 GCADMN CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C1CC1 ZINC001573897437 950960620 /nfs/dbraw/zinc/96/06/20/950960620.db2.gz PCLBURYAJCUAOW-QWHCGFSZSA-N 0 1 386.460 0.539 20 0 GCADMN CC1(C)C[C@H]1C(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643792 950978314 /nfs/dbraw/zinc/97/83/14/950978314.db2.gz OYYVMAGAOHIKKM-STQMWFEESA-N 0 1 386.460 0.493 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576229812 950980127 /nfs/dbraw/zinc/98/01/27/950980127.db2.gz OFZGBPLMQSMMEO-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576229812 950980145 /nfs/dbraw/zinc/98/01/45/950980145.db2.gz OFZGBPLMQSMMEO-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575017349 950988923 /nfs/dbraw/zinc/98/89/23/950988923.db2.gz DOFZNJZUXGDBRZ-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575017426 950996234 /nfs/dbraw/zinc/99/62/34/950996234.db2.gz FVVYXTKXWHRRBZ-SNVBAGLBSA-N 0 1 385.453 0.935 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575017426 950996242 /nfs/dbraw/zinc/99/62/42/950996242.db2.gz FVVYXTKXWHRRBZ-SNVBAGLBSA-N 0 1 385.453 0.935 20 0 GCADMN CC(C)CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001574195614 951001608 /nfs/dbraw/zinc/00/16/08/951001608.db2.gz UWTPOWJAHQRMMG-UONOGXRCSA-N 0 1 388.476 0.929 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575018645 951024291 /nfs/dbraw/zinc/02/42/91/951024291.db2.gz NVZZCABSWHVZFQ-JTQLQIEISA-N 0 1 388.457 0.272 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575018645 951024306 /nfs/dbraw/zinc/02/43/06/951024306.db2.gz NVZZCABSWHVZFQ-JTQLQIEISA-N 0 1 388.457 0.272 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1occc1CN(C)C ZINC001575019958 951051291 /nfs/dbraw/zinc/05/12/91/951051291.db2.gz XBCCYNFWKXQWTE-SNVBAGLBSA-N 0 1 386.416 0.398 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575021239 951061227 /nfs/dbraw/zinc/06/12/27/951061227.db2.gz CEWRZSWZSPWLDU-LBPRGKRZSA-N 0 1 381.444 0.371 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575023552 951079918 /nfs/dbraw/zinc/07/99/18/951079918.db2.gz NMYONHOUBPZZST-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575023552 951079928 /nfs/dbraw/zinc/07/99/28/951079928.db2.gz NMYONHOUBPZZST-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)s1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575023516 951080964 /nfs/dbraw/zinc/08/09/64/951080964.db2.gz MTFUYMVGUWULJM-MRVPVSSYSA-N 0 1 391.482 0.997 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)s1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575023516 951080976 /nfs/dbraw/zinc/08/09/76/951080976.db2.gz MTFUYMVGUWULJM-MRVPVSSYSA-N 0 1 391.482 0.997 20 0 GCADMN C[C@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024402 951101175 /nfs/dbraw/zinc/10/11/75/951101175.db2.gz DBDBOHRSLOPVEM-LBPRGKRZSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)C[C@H](C)O2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024352 951102707 /nfs/dbraw/zinc/10/27/07/951102707.db2.gz BOVRRZRTDJFMIU-MNOVXSKESA-N 0 1 380.412 0.632 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024815 951114697 /nfs/dbraw/zinc/11/46/97/951114697.db2.gz NECWIUOFSGVTFF-LLVKDONJSA-N 0 1 380.412 0.942 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccncc1-c1nn[nH]n1 ZINC001575024957 951121237 /nfs/dbraw/zinc/12/12/37/951121237.db2.gz QMFRSZNLUPRENE-GFCCVEGCSA-N 0 1 378.440 0.906 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575026226 951141570 /nfs/dbraw/zinc/14/15/70/951141570.db2.gz HCPXNFGTBFJDBO-GFCCVEGCSA-N 0 1 381.444 0.371 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1nccnc1-c1nnn[n-]1 ZINC001575026749 951148231 /nfs/dbraw/zinc/14/82/31/951148231.db2.gz MYQRXKNTAGVQJB-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1nccnc1-c1nn[n-]n1 ZINC001575026749 951148238 /nfs/dbraw/zinc/14/82/38/951148238.db2.gz MYQRXKNTAGVQJB-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575026959 951150360 /nfs/dbraw/zinc/15/03/60/951150360.db2.gz BKVYPXRPSIPXRM-LLVKDONJSA-N 0 1 380.412 0.846 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(=O)n1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575026996 951150809 /nfs/dbraw/zinc/15/08/09/951150809.db2.gz ORJLNUYJPGTFKK-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(=O)n1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575027043 951151831 /nfs/dbraw/zinc/15/18/31/951151831.db2.gz OWKYSJMMHBTOCD-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575027546 951161015 /nfs/dbraw/zinc/16/10/15/951161015.db2.gz RVAUKSSDPGDSBO-JTQLQIEISA-N 0 1 385.453 0.935 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575027546 951161022 /nfs/dbraw/zinc/16/10/22/951161022.db2.gz RVAUKSSDPGDSBO-JTQLQIEISA-N 0 1 385.453 0.935 20 0 GCADMN C[C@H](CNC(=O)c1ccc2cccnc2c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028106 951166968 /nfs/dbraw/zinc/16/69/68/951166968.db2.gz VEBXCTXHXDZQFQ-LLVKDONJSA-N 0 1 375.396 0.857 20 0 GCADMN C[C@H](CNC(=O)c1cccc2ncn(C)c21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028143 951170122 /nfs/dbraw/zinc/17/01/22/951170122.db2.gz LFVGSWSXKIYMDD-SNVBAGLBSA-N 0 1 378.400 0.196 20 0 GCADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)[C@@H](C)C1 ZINC001591876837 951229100 /nfs/dbraw/zinc/22/91/00/951229100.db2.gz FNQVKVQTEQNRPX-GOEBONIOSA-N 0 1 379.457 0.800 20 0 GCADMN O=C([O-])CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001595008393 951231916 /nfs/dbraw/zinc/23/19/16/951231916.db2.gz LHNIOYICJMAVGI-IRXDYDNUSA-N 0 1 395.500 0.946 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575035229 951270655 /nfs/dbraw/zinc/27/06/55/951270655.db2.gz HZPQJQNWNNIQKL-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575036004 951287988 /nfs/dbraw/zinc/28/79/88/951287988.db2.gz OLYVMKJEOYYPHP-LLVKDONJSA-N 0 1 382.432 0.372 20 0 GCADMN C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575036642 951299331 /nfs/dbraw/zinc/29/93/31/951299331.db2.gz UWJWFWOOSQESSG-JTQLQIEISA-N 0 1 380.416 0.579 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C(F)F)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575036904 951300239 /nfs/dbraw/zinc/30/02/39/951300239.db2.gz YPPPADNOFBMWSG-QMMMGPOBSA-N 0 1 378.347 0.503 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1Cl)CNc1ccncc1-c1nn[nH]n1 ZINC001575042421 951363977 /nfs/dbraw/zinc/36/39/77/951363977.db2.gz JHBQLKQYSNPDAP-VIFPVBQESA-N 0 1 375.824 0.549 20 0 GCADMN C[C@H](CNC(=O)C1=NC(=O)N(C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575042753 951369661 /nfs/dbraw/zinc/36/96/61/951369661.db2.gz MVVBNHQUOKUYBS-SSDOTTSWSA-N 0 1 377.796 0.585 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(Cl)n1C)CNc1ccncc1-c1nn[nH]n1 ZINC001575043466 951392782 /nfs/dbraw/zinc/39/27/82/951392782.db2.gz JVPZGSXNFQQPAM-SECBINFHSA-N 0 1 375.824 0.549 20 0 GCADMN C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575043542 951396200 /nfs/dbraw/zinc/39/62/00/951396200.db2.gz UAYZREMIQOYDON-MRVPVSSYSA-N 0 1 375.368 0.318 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575043514 951396464 /nfs/dbraw/zinc/39/64/64/951396464.db2.gz SNKUFCRKBXRCSO-LURJTMIESA-N 0 1 382.841 0.360 20 0 GCADMN C[C@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1ccncc1-c1nn[nH]n1 ZINC001575044323 951414009 /nfs/dbraw/zinc/41/40/09/951414009.db2.gz YTZNMMVINDJUSW-NSHDSACASA-N 0 1 382.432 0.478 20 0 GCADMN C[C@@H](CNC(=O)c1cn2ccccc2n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575044763 951417404 /nfs/dbraw/zinc/41/74/04/951417404.db2.gz UYBCGYHUTGFKHD-GFCCVEGCSA-N 0 1 377.412 0.809 20 0 GCADMN C[C@@H](CNC(=O)c1cncnc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575046971 951450576 /nfs/dbraw/zinc/45/05/76/951450576.db2.gz WIQLJLOPWMHAHL-JTQLQIEISA-N 0 1 380.416 0.579 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575047166 951452660 /nfs/dbraw/zinc/45/26/60/951452660.db2.gz YERBTZAUMIMRCG-LBPRGKRZSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1Cl)CNc1ccncc1-c1nn[nH]n1 ZINC001575051899 951457560 /nfs/dbraw/zinc/45/75/60/951457560.db2.gz AJNKUYBLMWJOHC-VIFPVBQESA-N 0 1 375.824 0.549 20 0 GCADMN C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575052498 951466656 /nfs/dbraw/zinc/46/66/56/951466656.db2.gz KHGXZMHPSRLSMK-NSHDSACASA-N 0 1 382.432 0.163 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575055353 951503410 /nfs/dbraw/zinc/50/34/10/951503410.db2.gz RISXBXRJKXNFFN-JTQLQIEISA-N 0 1 388.457 0.815 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575055353 951503417 /nfs/dbraw/zinc/50/34/17/951503417.db2.gz RISXBXRJKXNFFN-JTQLQIEISA-N 0 1 388.457 0.815 20 0 GCADMN C[C@@H](CNC(=O)c1csc(C2CC2)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575056337 951518337 /nfs/dbraw/zinc/51/83/37/951518337.db2.gz HTNVSPAMZUWNMH-SECBINFHSA-N 0 1 385.457 0.891 20 0 GCADMN C[C@@H](CNC(=O)c1ncc(Cl)s1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575062798 951571248 /nfs/dbraw/zinc/57/12/48/951571248.db2.gz YQNSTIAPLLDAAJ-SSDOTTSWSA-N 0 1 379.837 0.667 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575062811 951571272 /nfs/dbraw/zinc/57/12/72/951571272.db2.gz YUXXFTYPBULDDP-NSHDSACASA-N 0 1 381.444 0.906 20 0 GCADMN C[C@H](CNC(=O)c1ocnc1C(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575067260 951606383 /nfs/dbraw/zinc/60/63/83/951606383.db2.gz POZPNHJLKXZDHT-SSDOTTSWSA-N 0 1 379.331 0.837 20 0 GCADMN C[C@H](CNC(=O)c1nccnc1N)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575067911 951624972 /nfs/dbraw/zinc/62/49/72/951624972.db2.gz RODXBCNBPAVVDV-SNVBAGLBSA-N 0 1 385.407 0.628 20 0 GCADMN C[C@H](CNC(=O)c1snnc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575069120 951640701 /nfs/dbraw/zinc/64/07/01/951640701.db2.gz GJZBPICIYUNSPC-VIFPVBQESA-N 0 1 385.457 0.891 20 0 GCADMN C[C@@H](CNC(=O)c1snnc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575069578 951645841 /nfs/dbraw/zinc/64/58/41/951645841.db2.gz KXPQTLQCANMJDE-QMMMGPOBSA-N 0 1 386.445 0.640 20 0 GCADMN CC(C)c1nnsc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575071235 951657596 /nfs/dbraw/zinc/65/75/96/951657596.db2.gz YVJLBQCVYCMRCL-SECBINFHSA-N 0 1 388.461 0.532 20 0 GCADMN O=C([O-])CN1CCC[C@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1=O ZINC001595082279 951695595 /nfs/dbraw/zinc/69/55/95/951695595.db2.gz GLWWNJLFWOPRRH-DLBZAZTESA-N 0 1 389.452 0.193 20 0 GCADMN O=C([O-])CN1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC001595084720 951716733 /nfs/dbraw/zinc/71/67/33/951716733.db2.gz XFIDYBDBLMXITL-QGZVFWFLSA-N 0 1 389.452 0.458 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575091120 951770767 /nfs/dbraw/zinc/77/07/67/951770767.db2.gz PISRRGUDVZRHOC-YVEFUNNKSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1CCC(=O)N1)C1CC1 ZINC001575091120 951770772 /nfs/dbraw/zinc/77/07/72/951770772.db2.gz PISRRGUDVZRHOC-YVEFUNNKSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575091707 951782217 /nfs/dbraw/zinc/78/22/17/951782217.db2.gz WMRLPHFPIOGCOX-MEDUHNTESA-N 0 1 391.457 0.411 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575091707 951782223 /nfs/dbraw/zinc/78/22/23/951782223.db2.gz WMRLPHFPIOGCOX-MEDUHNTESA-N 0 1 391.457 0.411 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575091786 951783711 /nfs/dbraw/zinc/78/37/11/951783711.db2.gz YDSCQUQPVZRMKX-WQAKAFBOSA-N 0 1 375.408 0.064 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1=O ZINC001595092165 951788045 /nfs/dbraw/zinc/78/80/45/951788045.db2.gz ZATHDNLOVLYOMI-OWCLPIDISA-N 0 1 396.488 0.395 20 0 GCADMN C[C@@H](CNC(=O)C(=O)NCC1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098115 951819753 /nfs/dbraw/zinc/81/97/53/951819753.db2.gz AXEJIBJTFXCVJB-SNVBAGLBSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)C(=O)NCC1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098115 951819758 /nfs/dbraw/zinc/81/97/58/951819758.db2.gz AXEJIBJTFXCVJB-SNVBAGLBSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098747 951825580 /nfs/dbraw/zinc/82/55/80/951825580.db2.gz GALBLBBXZWKATM-JTQLQIEISA-N 0 1 386.503 0.205 20 0 GCADMN C[C@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098747 951825588 /nfs/dbraw/zinc/82/55/88/951825588.db2.gz GALBLBBXZWKATM-JTQLQIEISA-N 0 1 386.503 0.205 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099050 951830991 /nfs/dbraw/zinc/83/09/91/951830991.db2.gz HVEJZHDMGOYKSV-SNVBAGLBSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099050 951830997 /nfs/dbraw/zinc/83/09/97/951830997.db2.gz HVEJZHDMGOYKSV-SNVBAGLBSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575099357 951833484 /nfs/dbraw/zinc/83/34/84/951833484.db2.gz KNZAMEZWLZMWPL-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575099357 951833498 /nfs/dbraw/zinc/83/34/98/951833498.db2.gz KNZAMEZWLZMWPL-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099395 951835048 /nfs/dbraw/zinc/83/50/48/951835048.db2.gz LHORAQDFIRUPRL-UWVGGRQHSA-N 0 1 380.478 0.217 20 0 GCADMN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099395 951835057 /nfs/dbraw/zinc/83/50/57/951835057.db2.gz LHORAQDFIRUPRL-UWVGGRQHSA-N 0 1 380.478 0.217 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575099441 951836053 /nfs/dbraw/zinc/83/60/53/951836053.db2.gz MFOMEBMEZHWYRJ-MNOVXSKESA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575099441 951836060 /nfs/dbraw/zinc/83/60/60/951836060.db2.gz MFOMEBMEZHWYRJ-MNOVXSKESA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099526 951837738 /nfs/dbraw/zinc/83/77/38/951837738.db2.gz MOUSSQKNKXTVCS-GFCCVEGCSA-N 0 1 391.501 0.783 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099526 951837743 /nfs/dbraw/zinc/83/77/43/951837743.db2.gz MOUSSQKNKXTVCS-GFCCVEGCSA-N 0 1 391.501 0.783 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100102 951841611 /nfs/dbraw/zinc/84/16/11/951841611.db2.gz QSRQQFLCHBSEFK-LLVKDONJSA-N 0 1 389.489 0.531 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100102 951841620 /nfs/dbraw/zinc/84/16/20/951841620.db2.gz QSRQQFLCHBSEFK-LLVKDONJSA-N 0 1 389.489 0.531 20 0 GCADMN C[C@H](CNC(=O)c1cccn(C)c1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100094 951842429 /nfs/dbraw/zinc/84/24/29/951842429.db2.gz QPQFMELPCXGZKR-NSHDSACASA-N 0 1 387.469 0.783 20 0 GCADMN C[C@H](CNC(=O)c1cccn(C)c1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100094 951842436 /nfs/dbraw/zinc/84/24/36/951842436.db2.gz QPQFMELPCXGZKR-NSHDSACASA-N 0 1 387.469 0.783 20 0 GCADMN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100245 951844410 /nfs/dbraw/zinc/84/44/10/951844410.db2.gz SGJGOIGKLISYSA-GTNSWQLSSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)[C@@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100245 951844419 /nfs/dbraw/zinc/84/44/19/951844419.db2.gz SGJGOIGKLISYSA-GTNSWQLSSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100942 951849858 /nfs/dbraw/zinc/84/98/58/951849858.db2.gz XGKQOKIBUCNZHK-JQWIXIFHSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100942 951849870 /nfs/dbraw/zinc/84/98/70/951849870.db2.gz XGKQOKIBUCNZHK-JQWIXIFHSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100950 951852331 /nfs/dbraw/zinc/85/23/31/951852331.db2.gz XHKWMNNREQVWQT-QWRGUYRKSA-N 0 1 377.474 0.248 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100950 951852338 /nfs/dbraw/zinc/85/23/38/951852338.db2.gz XHKWMNNREQVWQT-QWRGUYRKSA-N 0 1 377.474 0.248 20 0 GCADMN C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001575101113 951853181 /nfs/dbraw/zinc/85/31/81/951853181.db2.gz ZPJHFRRESHRNAB-VHSXEESVSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001575101113 951853186 /nfs/dbraw/zinc/85/31/86/951853186.db2.gz ZPJHFRRESHRNAB-VHSXEESVSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575101114 951853309 /nfs/dbraw/zinc/85/33/09/951853309.db2.gz ZPJHFRRESHRNAB-ZJUUUORDSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575101114 951853317 /nfs/dbraw/zinc/85/33/17/951853317.db2.gz ZPJHFRRESHRNAB-ZJUUUORDSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101085 951853568 /nfs/dbraw/zinc/85/35/68/951853568.db2.gz ZEVHKNALQZPTHP-LLVKDONJSA-N 0 1 392.489 0.185 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101085 951853574 /nfs/dbraw/zinc/85/35/74/951853574.db2.gz ZEVHKNALQZPTHP-LLVKDONJSA-N 0 1 392.489 0.185 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575101343 951858065 /nfs/dbraw/zinc/85/80/65/951858065.db2.gz BXFUGVIEGAYHEJ-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575101343 951858070 /nfs/dbraw/zinc/85/80/70/951858070.db2.gz BXFUGVIEGAYHEJ-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575103033 951873915 /nfs/dbraw/zinc/87/39/15/951873915.db2.gz RDYPLSNIJOVDJL-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575103033 951873919 /nfs/dbraw/zinc/87/39/19/951873919.db2.gz RDYPLSNIJOVDJL-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575103037 951873934 /nfs/dbraw/zinc/87/39/34/951873934.db2.gz RETHBXAHBDVURH-SNVBAGLBSA-N 0 1 388.457 0.272 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575103037 951873944 /nfs/dbraw/zinc/87/39/44/951873944.db2.gz RETHBXAHBDVURH-SNVBAGLBSA-N 0 1 388.457 0.272 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575104131 951881428 /nfs/dbraw/zinc/88/14/28/951881428.db2.gz XQGAGOBRJFIAHO-VIFPVBQESA-N 0 1 389.441 0.870 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575104131 951881437 /nfs/dbraw/zinc/88/14/37/951881437.db2.gz XQGAGOBRJFIAHO-VIFPVBQESA-N 0 1 389.441 0.870 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575104271 951884884 /nfs/dbraw/zinc/88/48/84/951884884.db2.gz YVGMTELEKRJZHX-JQWIXIFHSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575104271 951884893 /nfs/dbraw/zinc/88/48/93/951884893.db2.gz YVGMTELEKRJZHX-JQWIXIFHSA-N 0 1 392.489 0.408 20 0 GCADMN CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+]([C@@H]3CCN(CC(=O)[O-])C3=O)C2)CC1 ZINC001602888855 971789336 /nfs/dbraw/zinc/78/93/36/971789336.db2.gz MQIDSNJFAINPTF-LSDHHAIUSA-N 0 1 396.488 0.299 20 0 GCADMN C[C@H](CNS(=O)(=O)c1cccc(-c2nn[nH]n2)c1Cl)N1CCN(C)CC1 ZINC001575119351 951988592 /nfs/dbraw/zinc/98/85/92/951988592.db2.gz XNSFTEZPZARKEY-LLVKDONJSA-N 0 1 399.908 0.434 20 0 GCADMN C[C@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575121766 951998025 /nfs/dbraw/zinc/99/80/25/951998025.db2.gz HGTOXVQIVLVJER-QGZVFWFLSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)CCc1cnn[nH]1)C1CC1 ZINC001575121766 951998030 /nfs/dbraw/zinc/99/80/30/951998030.db2.gz HGTOXVQIVLVJER-QGZVFWFLSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@@H]1[C@@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000382027359 971796334 /nfs/dbraw/zinc/79/63/34/971796334.db2.gz QVDPONSHNXNHRW-CJNGLKHVSA-N 0 1 378.454 0.909 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575137438 952139499 /nfs/dbraw/zinc/13/94/99/952139499.db2.gz ZFDOCBSZNXLFHA-KZULUSFZSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001575139681 952140089 /nfs/dbraw/zinc/14/00/89/952140089.db2.gz AHDPCHJFAZCKDG-AWEZNQCLSA-N 0 1 387.492 0.604 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575140443 952142626 /nfs/dbraw/zinc/14/26/26/952142626.db2.gz CXCKFWDCACJDIP-SNVBAGLBSA-N 0 1 388.382 0.858 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](F)Cc1ccccc1 ZINC001575142211 952147014 /nfs/dbraw/zinc/14/70/14/952147014.db2.gz KGUQXHWRMCJTED-OCCSQVGLSA-N 0 1 384.419 0.918 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575143535 952154578 /nfs/dbraw/zinc/15/45/78/952154578.db2.gz QDOGWYPXJHPAQA-NSHDSACASA-N 0 1 386.391 0.556 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCc2cccnc21 ZINC001575144168 952162545 /nfs/dbraw/zinc/16/25/45/952162545.db2.gz UOEODXOIQWQWDI-YPMHNXCESA-N 0 1 379.428 0.462 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cccc(=O)[nH]1)C1CC1 ZINC001575144150 952162554 /nfs/dbraw/zinc/16/25/54/952162554.db2.gz GPUSSLOROZBZCX-SFHVURJKSA-N 0 1 380.412 0.795 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc(N(C)C)c1 ZINC001575144100 952162863 /nfs/dbraw/zinc/16/28/63/952162863.db2.gz GCJLZQPPBFMWAW-GFCCVEGCSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575144276 952165181 /nfs/dbraw/zinc/16/51/81/952165181.db2.gz HORGFMFUULZHGL-SECBINFHSA-N 0 1 392.374 0.113 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575144451 952165645 /nfs/dbraw/zinc/16/56/45/952165645.db2.gz VSESBXJKEZSNTF-WDEREUQCSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ocnc1C(F)F ZINC001575144380 952165770 /nfs/dbraw/zinc/16/57/70/952165770.db2.gz IEDPIQZEWRMGBZ-SSDOTTSWSA-N 0 1 379.331 0.577 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575144398 952166104 /nfs/dbraw/zinc/16/61/04/952166104.db2.gz IESIRUOODIWMFK-SNVBAGLBSA-N 0 1 382.432 0.262 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575144350 952166448 /nfs/dbraw/zinc/16/64/48/952166448.db2.gz HVEYXWZZTRTGCW-JTQLQIEISA-N 0 1 384.448 0.672 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1scnc1Cl ZINC001575144465 952167611 /nfs/dbraw/zinc/16/76/11/952167611.db2.gz IQTAAXUDTAJOBP-ZETCQYMHSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575144734 952171127 /nfs/dbraw/zinc/17/11/27/952171127.db2.gz XRIDYMAPQXGHPL-KWCYVHTRSA-N 0 1 379.428 0.536 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCC1CCOCC1 ZINC001575144703 952171239 /nfs/dbraw/zinc/17/12/39/952171239.db2.gz XLWFCUOBGLQIHE-CYBMUJFWSA-N 0 1 388.476 0.934 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575144825 952172881 /nfs/dbraw/zinc/17/28/81/952172881.db2.gz XYZNTMWDTDCASH-KRWDZBQOSA-N 0 1 383.416 0.396 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1Cc2ccc(F)cc21 ZINC001575144953 952175885 /nfs/dbraw/zinc/17/58/85/952175885.db2.gz ZOOBWPJMIUJFBD-QMTHXVAHSA-N 0 1 382.403 0.816 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575145214 952179764 /nfs/dbraw/zinc/17/97/64/952179764.db2.gz SRSHJWSOWJKGRU-SFHVURJKSA-N 0 1 380.412 0.795 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1nc(Cl)cs1 ZINC001575145198 952180775 /nfs/dbraw/zinc/18/07/75/952180775.db2.gz SELDIHGZPZHJOE-ZETCQYMHSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCCN(C)C1=O ZINC001575145311 952181605 /nfs/dbraw/zinc/18/16/05/952181605.db2.gz VQEMZQKUZZEKNC-CHWSQXEVSA-N 0 1 386.460 0.201 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575145376 952182867 /nfs/dbraw/zinc/18/28/67/952182867.db2.gz WRHPMZCVYNZODJ-BBATYDOGSA-N 0 1 385.428 0.334 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575145463 952184365 /nfs/dbraw/zinc/18/43/65/952184365.db2.gz YBNYHLJWZHMAFL-JTQLQIEISA-N 0 1 384.448 0.672 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575145646 952187113 /nfs/dbraw/zinc/18/71/13/952187113.db2.gz BXIMHDRBLRDBIA-KWCYVHTRSA-N 0 1 381.444 0.480 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575145588 952187721 /nfs/dbraw/zinc/18/77/21/952187721.db2.gz ARRVUEMHCFEVBB-LBPRGKRZSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575145805 952188987 /nfs/dbraw/zinc/18/89/87/952188987.db2.gz CTWWLLDBLNYKTQ-SNVBAGLBSA-N 0 1 391.386 0.718 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575145995 952189784 /nfs/dbraw/zinc/18/97/84/952189784.db2.gz FJIMHKVYYQPONH-NSHDSACASA-N 0 1 380.412 0.355 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCOC[C@H]1CCCO1 ZINC001575146593 952195377 /nfs/dbraw/zinc/19/53/77/952195377.db2.gz LWPGNVKYEURTHY-ZIAGYGMSSA-N 0 1 389.460 0.528 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575146474 952195390 /nfs/dbraw/zinc/19/53/90/952195390.db2.gz LOYWXHOEXRYRHN-GFCCVEGCSA-N 0 1 381.444 0.863 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575146606 952195554 /nfs/dbraw/zinc/19/55/54/952195554.db2.gz LZYJWADWAWFUMO-LLVKDONJSA-N 0 1 389.851 0.883 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1Cc2ccccc2O1 ZINC001575146805 952196687 /nfs/dbraw/zinc/19/66/87/952196687.db2.gz NXCJRGNRZWWTSL-YVEFUNNKSA-N 0 1 379.424 0.946 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575146802 952196884 /nfs/dbraw/zinc/19/68/84/952196884.db2.gz NXCJRGNRZWWTSL-PXAZEXFGSA-N 0 1 379.424 0.946 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575147833 952201157 /nfs/dbraw/zinc/20/11/57/952201157.db2.gz WGPMBHYVLOMMJW-LBPRGKRZSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C2CC2)nn1C ZINC001575148293 952203160 /nfs/dbraw/zinc/20/31/60/952203160.db2.gz ZPIJRZZPTWLFJL-LLVKDONJSA-N 0 1 381.444 0.867 20 0 GCADMN C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575153627 952211410 /nfs/dbraw/zinc/21/14/10/952211410.db2.gz IWYIZXNYMUKAIL-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575153627 952211415 /nfs/dbraw/zinc/21/14/15/952211415.db2.gz IWYIZXNYMUKAIL-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC001595169175 952218250 /nfs/dbraw/zinc/21/82/50/952218250.db2.gz GKPIGPXQZXJAJT-SJORKVTESA-N 0 1 397.497 0.527 20 0 GCADMN C[C@@](CNc1ncccc1-c1nn[nH]n1)(NC(=O)CCc1nc[nH]n1)C1CC1 ZINC001575163535 952280053 /nfs/dbraw/zinc/28/00/53/952280053.db2.gz CUMUCETXYFPKKE-KRWDZBQOSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ncn(C)n1 ZINC001575164114 952286720 /nfs/dbraw/zinc/28/67/20/952286720.db2.gz BQPNYBZOPWFEGP-ZCFIWIBFSA-N 0 1 382.841 0.678 20 0 GCADMN C[C@](CNc1nc(-c2nn[nH]n2)c(Cl)s1)(NC(=O)CC(N)=O)C1CC1 ZINC001575164248 952289448 /nfs/dbraw/zinc/28/94/48/952289448.db2.gz CKWTUPLRFGPBNH-CYBMUJFWSA-N 0 1 384.853 0.549 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)CCNC(N)=O ZINC001575166353 952324224 /nfs/dbraw/zinc/32/42/24/952324224.db2.gz VJBHMCHZDCTHTQ-LURJTMIESA-N 0 1 387.857 0.294 20 0 GCADMN C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575174290 952368985 /nfs/dbraw/zinc/36/89/85/952368985.db2.gz LGSKMLHJQLUVPL-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575174290 952368989 /nfs/dbraw/zinc/36/89/89/952368989.db2.gz LGSKMLHJQLUVPL-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001575191631 952468663 /nfs/dbraw/zinc/46/86/63/952468663.db2.gz YCFVOFMELXTZPV-CHWSQXEVSA-N 0 1 385.428 0.387 20 0 GCADMN O=C(N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@]1(F)CCOC1 ZINC001571116653 952477407 /nfs/dbraw/zinc/47/74/07/952477407.db2.gz BEGGFKSJPUEUDP-YVEFUNNKSA-N 0 1 375.408 0.865 20 0 GCADMN C[C@@H](Cc1ccco1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001575196883 952478601 /nfs/dbraw/zinc/47/86/01/952478601.db2.gz 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O=C(N[C@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cncnc1 ZINC001571146051 952646861 /nfs/dbraw/zinc/64/68/61/952646861.db2.gz AZGUJUWPFZCZNF-DOMZBBRYSA-N 0 1 379.428 0.874 20 0 GCADMN O=C(N[C@@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)c1cncnc1 ZINC001571146053 952647269 /nfs/dbraw/zinc/64/72/69/952647269.db2.gz AZGUJUWPFZCZNF-SWLSCSKDSA-N 0 1 379.428 0.874 20 0 GCADMN Cc1cnccc1CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571146104 952647637 /nfs/dbraw/zinc/64/76/37/952647637.db2.gz CPOZWQVXDYHEII-UHFFFAOYSA-N 0 1 379.428 0.426 20 0 GCADMN O=C([C@@H]1CCCc2n[nH]cc21)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571146517 952649199 /nfs/dbraw/zinc/64/91/99/952649199.db2.gz HSMBMZREPMRWHF-NWDGAFQWSA-N 0 1 379.428 0.540 20 0 GCADMN O=C(NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cc2c([nH]1)CCC2 ZINC001571146364 952649218 /nfs/dbraw/zinc/64/92/18/952649218.db2.gz GRNHUFIVUPMEDW-NSHDSACASA-N 0 1 379.428 0.730 20 0 GCADMN Nc1nccnc1C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571146358 952649252 /nfs/dbraw/zinc/64/92/52/952649252.db2.gz GPUWVTHRHLLFRU-CQSZACIVSA-N 0 1 379.428 0.633 20 0 GCADMN O=C([C@H]1CCCc2n[nH]cc21)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571146520 952649266 /nfs/dbraw/zinc/64/92/66/952649266.db2.gz HSMBMZREPMRWHF-RYUDHWBXSA-N 0 1 379.428 0.540 20 0 GCADMN Cc1cnccc1C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571146553 952650490 /nfs/dbraw/zinc/65/04/90/952650490.db2.gz INQMMDRQTNJJQY-ZIAGYGMSSA-N 0 1 379.428 0.935 20 0 GCADMN Cn1cc(C(=O)N2C[C@H]3CCN(Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)nn1 ZINC001571146839 952653069 /nfs/dbraw/zinc/65/30/69/952653069.db2.gz NRHXBVZGJFFSAI-GDBMZVCRSA-N 0 1 379.428 0.342 20 0 GCADMN Nc1nccnc1C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571146889 952654352 /nfs/dbraw/zinc/65/43/52/952654352.db2.gz OTZVFXDBEKDELB-ZDUSSCGKSA-N 0 1 379.428 0.633 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001571146971 952655039 /nfs/dbraw/zinc/65/50/39/952655039.db2.gz FGPOAESGFRCHML-CHWSQXEVSA-N 0 1 379.428 0.826 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nnn[n-]4)C[C@H]32)[nH]n1 ZINC001571146956 952655767 /nfs/dbraw/zinc/65/57/67/952655767.db2.gz DRHKTMZHTCMBLZ-VIKVFOODSA-N 0 1 379.428 0.720 20 0 GCADMN CN(C(=O)c1ncccn1)C1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571147182 952658296 /nfs/dbraw/zinc/65/82/96/952658296.db2.gz IJNGMCPXGUAYIZ-UHFFFAOYSA-N 0 1 379.428 0.969 20 0 GCADMN O=C(c1cc2c([nH]1)CCC2)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571147430 952661358 /nfs/dbraw/zinc/66/13/58/952661358.db2.gz XUWGUCMBVFRQJZ-GFCCVEGCSA-N 0 1 379.428 0.612 20 0 GCADMN CC[C@H]1CN(C(=O)c2ccncc2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571147744 952663323 /nfs/dbraw/zinc/66/33/23/952663323.db2.gz PISZQDGFDVLFMY-JSGCOSHPSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ncccn1 ZINC001571148016 952665749 /nfs/dbraw/zinc/66/57/49/952665749.db2.gz TTXPBQTXXYYAQQ-GXTWGEPZSA-N 0 1 379.428 0.508 20 0 GCADMN O=C(c1cn[nH]c1)N1C[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H]2C1 ZINC001571150885 952671300 /nfs/dbraw/zinc/67/13/00/952671300.db2.gz ICFGERJFDNNREJ-GLQYFDAESA-N 0 1 379.428 0.760 20 0 GCADMN CCOc1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571155047 952691331 /nfs/dbraw/zinc/69/13/31/952691331.db2.gz FPOYPIRAIAKPBO-CYBMUJFWSA-N 0 1 380.412 0.804 20 0 GCADMN CCOc1ccccc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571155091 952692575 /nfs/dbraw/zinc/69/25/75/952692575.db2.gz HNHRDRJJDNPGPG-TXEJJXNPSA-N 0 1 380.412 0.850 20 0 GCADMN COCc1ccccc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571155550 952698982 /nfs/dbraw/zinc/69/89/82/952698982.db2.gz WHUADKWFXLJMDC-BETUJISGSA-N 0 1 380.412 0.598 20 0 GCADMN Cc1cc(NC[C@@H]2CC[C@H](NC(=O)c3cncnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156659 952703084 /nfs/dbraw/zinc/70/30/84/952703084.db2.gz GDRBUQKTOVEUFJ-OCCSQVGLSA-N 0 1 379.428 0.793 20 0 GCADMN Cc1cnc(C(=O)N[C@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571156654 952704028 /nfs/dbraw/zinc/70/40/28/952704028.db2.gz GDKLEYPFQBJKQT-OLZOCXBDSA-N 0 1 379.428 0.935 20 0 GCADMN Cc1ccncc1CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571156738 952704899 /nfs/dbraw/zinc/70/48/99/952704899.db2.gz IJYWXBPKTNURNN-TZMCWYRMSA-N 0 1 379.428 0.284 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158002 952709028 /nfs/dbraw/zinc/70/90/28/952709028.db2.gz PQTVGFZRXCYDQT-GFCCVEGCSA-N 0 1 379.428 0.461 20 0 GCADMN COc1ncccc1C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571158194 952710023 /nfs/dbraw/zinc/71/00/23/952710023.db2.gz DMFFAJUHRIZVAK-GFCCVEGCSA-N 0 1 380.412 0.661 20 0 GCADMN COc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)ncn1 ZINC001571158189 952710355 /nfs/dbraw/zinc/71/03/55/952710355.db2.gz DKSGZGOCJUOMRF-CQSZACIVSA-N 0 1 380.412 0.670 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c(C)nn1 ZINC001571158847 952714346 /nfs/dbraw/zinc/71/43/46/952714346.db2.gz SHXYCAFSVULHJS-CYBMUJFWSA-N 0 1 379.428 0.807 20 0 GCADMN Cc1cc(N2CC[C@@H](CNC(=O)c3cc[nH]c(=O)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158738 952714762 /nfs/dbraw/zinc/71/47/62/952714762.db2.gz NRQXQYRGNWFZGJ-LBPRGKRZSA-N 0 1 380.412 0.927 20 0 GCADMN Cc1cc(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)ccn1 ZINC001571158925 952715993 /nfs/dbraw/zinc/71/59/93/952715993.db2.gz UKWAJKQXASQECB-UHFFFAOYSA-N 0 1 379.428 0.935 20 0 GCADMN Cc1ccncc1C(=O)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571159623 952721124 /nfs/dbraw/zinc/72/11/24/952721124.db2.gz VELSMILZCSQLDO-CHWSQXEVSA-N 0 1 379.428 0.793 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cc2n(n1)CCO2 ZINC001571160251 952724233 /nfs/dbraw/zinc/72/42/33/952724233.db2.gz FXJBICJBEKBOPT-CQSZACIVSA-N 0 1 380.412 0.460 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)c1cnccn1 ZINC001571160754 952728731 /nfs/dbraw/zinc/72/87/31/952728731.db2.gz LSCILUXHPLDGJX-GDBMZVCRSA-N 0 1 380.412 0.022 20 0 GCADMN CCc1nnc(C)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571162029 952736945 /nfs/dbraw/zinc/73/69/45/952736945.db2.gz ICTWZCGKOBTECL-NSHDSACASA-N 0 1 380.416 0.326 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2nc[nH]n2)n1 ZINC001571162123 952740096 /nfs/dbraw/zinc/74/00/96/952740096.db2.gz KZKPWRUYJJCDRB-RYUDHWBXSA-N 0 1 380.416 0.111 20 0 GCADMN Cc1cc(C(=O)N2CC[C@H]([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)cnn1 ZINC001571162241 952741266 /nfs/dbraw/zinc/74/12/66/952741266.db2.gz OMDHFGUOQRACBT-NEPJUHHUSA-N 0 1 380.416 0.140 20 0 GCADMN Cc1cc(C(=O)N2CC[C@]3(CCN(c4nccnc4-c4nn[nH]n4)C3)C2)n[nH]1 ZINC001571162274 952741296 /nfs/dbraw/zinc/74/12/96/952741296.db2.gz PKSUDWWJCVEBLE-KRWDZBQOSA-N 0 1 380.416 0.431 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2C2CC2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571162626 952745488 /nfs/dbraw/zinc/74/54/88/952745488.db2.gz WNBTUGOPDDFUAZ-SKDRFNHKSA-N 0 1 380.416 0.654 20 0 GCADMN O=C(NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]nc1C1CC1 ZINC001571165095 952747742 /nfs/dbraw/zinc/74/77/42/952747742.db2.gz BWWUXQIDWTZLCF-UHFFFAOYSA-N 0 1 380.416 0.300 20 0 GCADMN Cc1nccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)n1 ZINC001571165161 952748161 /nfs/dbraw/zinc/74/81/61/952748161.db2.gz DLOBDYOFOWTGFX-PWSUYJOCSA-N 0 1 380.416 0.282 20 0 GCADMN O=C(N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cnccn1 ZINC001571165195 952748281 /nfs/dbraw/zinc/74/82/81/952748281.db2.gz FPYGVBHEFQSIRS-NWDGAFQWSA-N 0 1 380.416 0.269 20 0 GCADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]nc1C1CC1 ZINC001571165228 952748470 /nfs/dbraw/zinc/74/84/70/952748470.db2.gz GQASEEAWBNICGI-NSHDSACASA-N 0 1 380.416 0.656 20 0 GCADMN O=C(N[C@H]1CCCN(c2cnc(-c3nn[nH]n3)cn2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001571165800 952755111 /nfs/dbraw/zinc/75/51/11/952755111.db2.gz LGGQVTNAUXCWNP-QJPTWQEYSA-N 0 1 380.416 0.269 20 0 GCADMN Cc1ncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c(C)n1 ZINC001571166291 952759954 /nfs/dbraw/zinc/75/99/54/952759954.db2.gz QKSOBNBITRTLKK-GXFFZTMASA-N 0 1 380.416 0.201 20 0 GCADMN O=C(Cc1nnc[nH]1)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[nH]n3)nc1)CC2 ZINC001571166411 952760796 /nfs/dbraw/zinc/76/07/96/952760796.db2.gz RJZPTNIAWZAIAT-SUMWQHHRSA-N 0 1 380.416 0.240 20 0 GCADMN Cc1cnc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571166437 952762169 /nfs/dbraw/zinc/76/21/69/952762169.db2.gz ROWUWJKPDYPOBV-GFCCVEGCSA-N 0 1 380.416 0.496 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571166737 952764202 /nfs/dbraw/zinc/76/42/02/952764202.db2.gz POEFMUUVTMFGPP-ZXXIGWHRSA-N 0 1 380.452 0.981 20 0 GCADMN Cc1ncncc1C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571166815 952764976 /nfs/dbraw/zinc/76/49/76/952764976.db2.gz WLSGWLARTLMFDJ-UHFFFAOYSA-N 0 1 380.416 0.141 20 0 GCADMN C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001571170352 952784678 /nfs/dbraw/zinc/78/46/78/952784678.db2.gz HHMOHFOTDDTHEU-TVQRCGJNSA-N 0 1 381.387 0.669 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571170795 952788249 /nfs/dbraw/zinc/78/82/49/952788249.db2.gz LPCPBVCRWWEOGA-ZYHUDNBSSA-N 0 1 381.400 0.545 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cc(C2CC2)on1 ZINC001571171618 952794427 /nfs/dbraw/zinc/79/44/27/952794427.db2.gz UCYJKJCBAHWRRG-GXSJLCMTSA-N 0 1 381.400 0.659 20 0 GCADMN Cn1cc(CC(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC001571172522 952807211 /nfs/dbraw/zinc/80/72/11/952807211.db2.gz WDZARUYYQYCSLK-QGZVFWFLSA-N 0 1 380.456 0.924 20 0 GCADMN Cc1cc(C(=O)N[C@@]23CCC[C@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)no1 ZINC001571174616 952810645 /nfs/dbraw/zinc/81/06/45/952810645.db2.gz CAFJOXMLZXKSHH-SJKOYZFVSA-N 0 1 381.400 0.885 20 0 GCADMN COc1cc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)ncn1 ZINC001571174595 952810765 /nfs/dbraw/zinc/81/07/65/952810765.db2.gz BHLOKIQVVMHFRL-NSHDSACASA-N 0 1 381.400 0.056 20 0 GCADMN Cc1cc(C(=O)N[C@]23CCC[C@@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)no1 ZINC001571174615 952810896 /nfs/dbraw/zinc/81/08/96/952810896.db2.gz CAFJOXMLZXKSHH-SJCJKPOMSA-N 0 1 381.400 0.885 20 0 GCADMN COc1ncc(C(=O)NC[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571174579 952811821 /nfs/dbraw/zinc/81/18/21/952811821.db2.gz AXGANZRRAXVIJB-UMSPYCQHSA-N 0 1 381.400 0.103 20 0 GCADMN Cc1cc(C)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(=O)[nH]1 ZINC001571174636 952812022 /nfs/dbraw/zinc/81/20/22/952812022.db2.gz CLRXSTJGMCZZHV-LLVKDONJSA-N 0 1 381.400 0.123 20 0 GCADMN COc1ccc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nn1 ZINC001571174826 952815776 /nfs/dbraw/zinc/81/57/76/952815776.db2.gz JLZPPCRAVAWSCB-LLVKDONJSA-N 0 1 381.400 0.117 20 0 GCADMN Cc1cc(C2(C(=O)N[C@@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)CC2)on1 ZINC001571174818 952816191 /nfs/dbraw/zinc/81/61/91/952816191.db2.gz JBHSOIVHDSCFCA-LLVKDONJSA-N 0 1 381.400 0.380 20 0 GCADMN COc1ccnc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571175051 952817114 /nfs/dbraw/zinc/81/71/14/952817114.db2.gz OBAXCISMYGTOBQ-NSHDSACASA-N 0 1 381.400 0.459 20 0 GCADMN COc1nccc(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571175083 952818613 /nfs/dbraw/zinc/81/86/13/952818613.db2.gz PBWKCADHEBQYMC-NSHDSACASA-N 0 1 381.400 0.199 20 0 GCADMN COc1ccnc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571175392 952821078 /nfs/dbraw/zinc/82/10/78/952821078.db2.gz ULSYFVNKMQKRCT-NSHDSACASA-N 0 1 381.400 0.411 20 0 GCADMN COc1ccc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)[C@@H](C)C2)nn1 ZINC001571175413 952821468 /nfs/dbraw/zinc/82/14/68/952821468.db2.gz UQSRYYNGRUMHPI-HZMBPMFUSA-N 0 1 381.400 0.055 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571175638 952824251 /nfs/dbraw/zinc/82/42/51/952824251.db2.gz XZLQWRLXXWXRRC-NSHDSACASA-N 0 1 381.400 0.356 20 0 GCADMN O=C(NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ocnc1C1CC1 ZINC001571176303 952831137 /nfs/dbraw/zinc/83/11/37/952831137.db2.gz OOQHGTFTKZHTJS-JGZJWPJOSA-N 0 1 381.400 0.565 20 0 GCADMN O=C(N[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001571176592 952833099 /nfs/dbraw/zinc/83/30/99/952833099.db2.gz VMIIYZBIFNARPO-GMTAPVOTSA-N 0 1 381.400 0.052 20 0 GCADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1conc1C1CC1 ZINC001571176656 952834333 /nfs/dbraw/zinc/83/43/33/952834333.db2.gz WUYAUOOQJPAINQ-UHFFFAOYSA-N 0 1 381.400 0.565 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cnnn2C)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183503 952878812 /nfs/dbraw/zinc/87/88/12/952878812.db2.gz CDRJWJRNVXUTKD-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN CCc1cc(C(=O)N[C@H]2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571183551 952879587 /nfs/dbraw/zinc/87/95/87/952879587.db2.gz DJQNLALDAOUQLI-BETUJISGSA-N 0 1 381.444 0.661 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2cccn2C)CC1 ZINC001571183769 952883027 /nfs/dbraw/zinc/88/30/27/952883027.db2.gz JDZUZVCAPIAMKY-UHFFFAOYSA-N 0 1 381.444 0.914 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571183766 952883060 /nfs/dbraw/zinc/88/30/60/952883060.db2.gz JBQFGHFUJFLPBM-LBPRGKRZSA-N 0 1 381.444 0.933 20 0 GCADMN CCc1cc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nn1C ZINC001571184214 952889403 /nfs/dbraw/zinc/88/94/03/952889403.db2.gz UCSKDSBFLLCEGI-RYUDHWBXSA-N 0 1 381.444 0.695 20 0 GCADMN CCCc1n[nH]cc1C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571184422 952894392 /nfs/dbraw/zinc/89/43/92/952894392.db2.gz YVBBXTYXAGYSGV-UHFFFAOYSA-N 0 1 381.444 0.980 20 0 GCADMN CCn1cnc(C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC001571184599 952895220 /nfs/dbraw/zinc/89/52/20/952895220.db2.gz ARFCNWMQDNBIOK-CHWSQXEVSA-N 0 1 381.444 0.980 20 0 GCADMN CCn1ccc(C(=O)NC[C@H]2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571185118 952899486 /nfs/dbraw/zinc/89/94/86/952899486.db2.gz ITAUNCJPHRHRJN-QWHCGFSZSA-N 0 1 381.444 0.911 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cn(C)cn2)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571185058 952899639 /nfs/dbraw/zinc/89/96/39/952899639.db2.gz IAKRSRAQFFTMEN-OLZOCXBDSA-N 0 1 381.444 0.770 20 0 GCADMN CCn1nncc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1C ZINC001571185584 952902445 /nfs/dbraw/zinc/90/24/45/952902445.db2.gz NLGYKFXYKVUYHM-DOMZBBRYSA-N 0 1 381.444 0.871 20 0 GCADMN Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187657 952909131 /nfs/dbraw/zinc/90/91/31/952909131.db2.gz AIAVXMYHTMSSLB-CHWSQXEVSA-N 0 1 381.444 0.688 20 0 GCADMN Cc1cc(NCC2CC(NC(=O)[C@@H](C)n3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187980 952911219 /nfs/dbraw/zinc/91/12/19/952911219.db2.gz DZXNGIVNWVMQPS-IYXRBSQSSA-N 0 1 381.444 0.756 20 0 GCADMN Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2cc[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188377 952913083 /nfs/dbraw/zinc/91/30/83/952913083.db2.gz JVZAXNFFSAIFLU-WFASDCNBSA-N 0 1 381.444 0.655 20 0 GCADMN Cc1ccn(C)c1C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571188354 952913233 /nfs/dbraw/zinc/91/32/33/952913233.db2.gz JEVJZLXYLJIXHT-SFHVURJKSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1cc(C(=O)N[C@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n(C)n1 ZINC001571188368 952913528 /nfs/dbraw/zinc/91/35/28/952913528.db2.gz JKGRKFNRFKMYOG-OLZOCXBDSA-N 0 1 381.444 0.879 20 0 GCADMN Cc1cnc(CNC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)nc1 ZINC001571188340 952913802 /nfs/dbraw/zinc/91/38/02/952913802.db2.gz IXNHRJWXWWYDCE-OCCSQVGLSA-N 0 1 381.444 0.791 20 0 GCADMN Cc1cc(N[C@H]2CC[C@H](NC(=O)c3ccn(C)n3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188873 952921599 /nfs/dbraw/zinc/92/15/99/952921599.db2.gz OQJJCDXPWZEFQJ-JOCQHMNTSA-N 0 1 381.444 0.879 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@@H]([C@@H](C)Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571188878 952922089 /nfs/dbraw/zinc/92/20/89/952922089.db2.gz OQODINAAZYHCBM-ZIAGYGMSSA-N 0 1 381.444 0.538 20 0 GCADMN Cn1nccc1CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@@H]12 ZINC001571189150 952925659 /nfs/dbraw/zinc/92/56/59/952925659.db2.gz NFANYRLPRBJOLI-QAPCUYQASA-N 0 1 381.444 0.855 20 0 GCADMN Cc1ncn(C)c1C(=O)N1CC[C@@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571189199 952926588 /nfs/dbraw/zinc/92/65/88/952926588.db2.gz OMMUDLMHYLLWSR-ZDUSSCGKSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1ncc(C(=O)N[C@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571189353 952929311 /nfs/dbraw/zinc/92/93/11/952929311.db2.gz QFXIVXAOXIVWCL-OLZOCXBDSA-N 0 1 381.444 0.879 20 0 GCADMN Cn1nccc1CN1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001571189403 952929752 /nfs/dbraw/zinc/92/97/52/952929752.db2.gz QZHPFYDTCNCTEV-CRAIPNDOSA-N 0 1 381.444 0.855 20 0 GCADMN Cc1ncc(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571189821 952936795 /nfs/dbraw/zinc/93/67/95/952936795.db2.gz VZJSHVHHRXDOTO-ZDUSSCGKSA-N 0 1 381.444 0.950 20 0 GCADMN Cc1nonc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571194047 952957361 /nfs/dbraw/zinc/95/73/61/952957361.db2.gz HVACPLXPRNONQB-FGWVZKOKSA-N 0 1 382.388 0.278 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)Cc1cccc(F)c1 ZINC001571196479 952981444 /nfs/dbraw/zinc/98/14/44/952981444.db2.gz KZXKGQDUZYFROK-RISCZKNCSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@@H]1CN(C(=O)CCc2ccoc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571198848 952993300 /nfs/dbraw/zinc/99/33/00/952993300.db2.gz HFWPRLFFHFVZMN-TZMCWYRMSA-N 0 1 382.428 0.811 20 0 GCADMN Cc1ccoc1CC(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571200852 953012945 /nfs/dbraw/zinc/01/29/45/953012945.db2.gz GYTMVAZOXQRBKV-STQMWFEESA-N 0 1 382.428 0.920 20 0 GCADMN Cc1ccoc1CC(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571200849 953013096 /nfs/dbraw/zinc/01/30/96/953013096.db2.gz GYTMVAZOXQRBKV-CHWSQXEVSA-N 0 1 382.428 0.920 20 0 GCADMN C[C@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571202517 953027009 /nfs/dbraw/zinc/02/70/09/953027009.db2.gz ZSJSVYFKKBBNJS-QWHCGFSZSA-N 0 1 382.428 0.811 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001571204594 953029736 /nfs/dbraw/zinc/02/97/36/953029736.db2.gz BKZWZHZKXWZTBE-CHWSQXEVSA-N 0 1 382.432 0.187 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)CCc3cnc[nH]3)C2)cc(-c2nn[nH]n2)n1 ZINC001571204528 953030578 /nfs/dbraw/zinc/03/05/78/953030578.db2.gz ADEQAZOBCMABHB-GFCCVEGCSA-N 0 1 382.432 0.588 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)n(C)n1 ZINC001571204662 953031520 /nfs/dbraw/zinc/03/15/20/953031520.db2.gz CDHPVRQSBBUXEP-GFCCVEGCSA-N 0 1 382.432 0.351 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571204847 953032896 /nfs/dbraw/zinc/03/28/96/953032896.db2.gz CXBQJUYKBNWOPO-DGCLKSJQSA-N 0 1 382.432 0.165 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001571204871 953033786 /nfs/dbraw/zinc/03/37/86/953033786.db2.gz DMCPJSCWXRSCLV-UHFFFAOYSA-N 0 1 382.432 0.228 20 0 GCADMN CC(C)Cn1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571205085 953035241 /nfs/dbraw/zinc/03/52/41/953035241.db2.gz GGLDNCSWCCYQQW-CYBMUJFWSA-N 0 1 382.432 0.258 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205521 953039560 /nfs/dbraw/zinc/03/95/60/953039560.db2.gz LCKKBFCEELQEOS-TXEJJXNPSA-N 0 1 382.432 0.477 20 0 GCADMN CCn1cc(C(=O)N2CC[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nn1 ZINC001571205617 953040267 /nfs/dbraw/zinc/04/02/67/953040267.db2.gz LRNBFHKSTHTLNQ-GFCCVEGCSA-N 0 1 382.432 0.178 20 0 GCADMN CCCc1cc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571205616 953040577 /nfs/dbraw/zinc/04/05/77/953040577.db2.gz LQYPELDBWDMCPC-LBPRGKRZSA-N 0 1 382.432 0.683 20 0 GCADMN CC(=O)N1CCC[C@H](n2cc(CNc3cc(C)[nH+]cc3-c3nnn[n-]3)nn2)C1 ZINC001571205723 953041342 /nfs/dbraw/zinc/04/13/42/953041342.db2.gz LAIXIUSWESLDJI-AWEZNQCLSA-N 0 1 382.432 0.379 20 0 GCADMN CC(=O)N1CCC[C@@H](n2cc(CNc3cc(C)[nH+]cc3-c3nnn[n-]3)nn2)C1 ZINC001571205724 953041674 /nfs/dbraw/zinc/04/16/74/953041674.db2.gz LAIXIUSWESLDJI-CQSZACIVSA-N 0 1 382.432 0.379 20 0 GCADMN CCn1ccnc1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571205860 953044009 /nfs/dbraw/zinc/04/40/09/953044009.db2.gz CFYPONDWVHVIER-UHFFFAOYSA-N 0 1 382.432 0.520 20 0 GCADMN CCc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205994 953046411 /nfs/dbraw/zinc/04/64/11/953046411.db2.gz QKVQWUPXWUYPGG-LLVKDONJSA-N 0 1 382.432 0.351 20 0 GCADMN C[C@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CCc1c[nH]nn1 ZINC001571206204 953048445 /nfs/dbraw/zinc/04/84/45/953048445.db2.gz SEAJONVNSLOMPX-NWDGAFQWSA-N 0 1 382.432 0.804 20 0 GCADMN C[C@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571206289 953048921 /nfs/dbraw/zinc/04/89/21/953048921.db2.gz STUCWLZQFHURIO-AAEUAGOBSA-N 0 1 382.432 0.106 20 0 GCADMN C[C@@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571206292 953049423 /nfs/dbraw/zinc/04/94/23/953049423.db2.gz STUCWLZQFHURIO-DGCLKSJQSA-N 0 1 382.432 0.106 20 0 GCADMN CCc1nc(-c2nn[nH]n2)cc(N2CCC(N(C)C(=O)c3ccn[nH]3)CC2)n1 ZINC001571206319 953049799 /nfs/dbraw/zinc/04/97/99/953049799.db2.gz SZRBHWCVCOTFTQ-UHFFFAOYSA-N 0 1 382.432 0.683 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)CCc1cnc[nH]1 ZINC001571206336 953049826 /nfs/dbraw/zinc/04/98/26/953049826.db2.gz UCBSNWVCHOVZDE-NEPJUHHUSA-N 0 1 382.432 0.804 20 0 GCADMN C[C@H]1CC[C@H](NC(=O)c2nnn(C)n2)CN1Cc1ccccc1-c1nn[nH]n1 ZINC001571206665 953054261 /nfs/dbraw/zinc/05/42/61/953054261.db2.gz VYUMJXFKEZLUHP-AAEUAGOBSA-N 0 1 382.432 0.173 20 0 GCADMN CCn1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571206849 953056250 /nfs/dbraw/zinc/05/62/50/953056250.db2.gz XZBQTOSAXRYFRR-RYUDHWBXSA-N 0 1 382.432 0.115 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@@H]1CC12CCOCC2 ZINC001571206938 953056963 /nfs/dbraw/zinc/05/69/63/953056963.db2.gz UJYOYSPJQWLWQW-KZVDOYCCSA-N 0 1 382.428 0.024 20 0 GCADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@@H]1NC(=O)Cn1cncn1 ZINC001571206981 953058214 /nfs/dbraw/zinc/05/82/14/953058214.db2.gz YWCURTSTJNCICC-AWEZNQCLSA-N 0 1 382.432 0.275 20 0 GCADMN O=C(CCc1cn[nH]c1)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571209743 953066765 /nfs/dbraw/zinc/06/67/65/953066765.db2.gz CNEXLQRUNUBBSI-CYBMUJFWSA-N 0 1 382.432 0.228 20 0 GCADMN O=C(Cn1cccn1)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571210391 953072150 /nfs/dbraw/zinc/07/21/50/953072150.db2.gz QJVKOSPRCUUFGJ-ZDUSSCGKSA-N 0 1 382.432 0.158 20 0 GCADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2cncs2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571210891 953075261 /nfs/dbraw/zinc/07/52/61/953075261.db2.gz ZMANMYDKZYFACP-VIKVFOODSA-N 0 1 382.453 0.820 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571211463 953076088 /nfs/dbraw/zinc/07/60/88/953076088.db2.gz BEVVDFBHDPYIQE-NOZJJQNGSA-N 0 1 382.432 0.959 20 0 GCADMN Cc1nc(CN2CC[C@@H]3[C@H]2CCCN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001571211502 953077063 /nfs/dbraw/zinc/07/70/63/953077063.db2.gz BYLSEHWJOUGASF-ZIAGYGMSSA-N 0 1 382.432 0.500 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](CNc3nc(C)cc(-c4nn[nH]n4)n3)[C@H](C)C2)n[nH]1 ZINC001571211485 953077449 /nfs/dbraw/zinc/07/74/49/953077449.db2.gz BRRZMTDLEAPWDG-BXKDBHETSA-N 0 1 382.432 0.817 20 0 GCADMN Cc1nc(CC(=O)N[C@H]2CN(c3ncccc3-c3nn[nH]n3)CC2(C)C)n[nH]1 ZINC001571211641 953079200 /nfs/dbraw/zinc/07/92/00/953079200.db2.gz DKISDOPOBOKIGH-LBPRGKRZSA-N 0 1 382.432 0.262 20 0 GCADMN Cc1nc(CC(=O)N[C@@H]2CN(c3ncccc3-c3nn[nH]n3)CC2(C)C)n[nH]1 ZINC001571211640 953079265 /nfs/dbraw/zinc/07/92/65/953079265.db2.gz DKISDOPOBOKIGH-GFCCVEGCSA-N 0 1 382.432 0.262 20 0 GCADMN Cc1cc(N2CCC[C@@H](NC(=O)[C@@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211698 953079906 /nfs/dbraw/zinc/07/99/06/953079906.db2.gz FXMJKEUVZQHVOQ-CHWSQXEVSA-N 0 1 382.432 0.508 20 0 GCADMN Cc1cc(N(C)[C@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211689 953079949 /nfs/dbraw/zinc/07/99/49/953079949.db2.gz FRMHLPCWJYLOIN-STQMWFEESA-N 0 1 382.432 0.460 20 0 GCADMN Cc1nc(C(=O)N2CC[C@@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1 ZINC001571211895 953082909 /nfs/dbraw/zinc/08/29/09/953082909.db2.gz IICRXOUIBICIPD-PWSUYJOCSA-N 0 1 382.432 0.320 20 0 GCADMN Cc1nc(C(=O)N2CC[C@H](C)[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1 ZINC001571211890 953083072 /nfs/dbraw/zinc/08/30/72/953083072.db2.gz IICRXOUIBICIPD-CMPLNLGQSA-N 0 1 382.432 0.320 20 0 GCADMN Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571212119 953084426 /nfs/dbraw/zinc/08/44/26/953084426.db2.gz JCXRTAXLJIOROF-AAEUAGOBSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1cc(N[C@H]2C[C@H](C)N(C(=O)CCn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212187 953084581 /nfs/dbraw/zinc/08/45/81/953084581.db2.gz KRFXHBUMUUCSII-STQMWFEESA-N 0 1 382.432 0.075 20 0 GCADMN Cc1nn(C)c(C)c1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212377 953088212 /nfs/dbraw/zinc/08/82/12/953088212.db2.gz NACQAAOLOOQRPJ-UHFFFAOYSA-N 0 1 382.432 0.144 20 0 GCADMN Cc1nc([C@@H](C)N2C[C@@H]3[C@@H](CNC(=O)c4c[nH]c(-c5nn[nH]n5)c4)[C@@H]3C2)n[nH]1 ZINC001571213091 953092703 /nfs/dbraw/zinc/09/27/03/953092703.db2.gz QQOBUEPGUCKMFZ-STRQVWJDSA-N 0 1 382.432 0.290 20 0 GCADMN Cc1nc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2nnc[nH]2)ccc1-c1nn[nH]n1 ZINC001571213155 953093410 /nfs/dbraw/zinc/09/34/10/953093410.db2.gz RLIIVXCEJPZHDS-YPMHNXCESA-N 0 1 382.432 0.628 20 0 GCADMN CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1N(c1ccc(-c3nn[nH]n3)nc1)CC2 ZINC001571213259 953094188 /nfs/dbraw/zinc/09/41/88/953094188.db2.gz QLAHIUAYKZFGIH-JTDSTZFVSA-N 0 1 382.472 0.974 20 0 GCADMN CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[nH]n3)nc1)CC2 ZINC001571213257 953094279 /nfs/dbraw/zinc/09/42/79/953094279.db2.gz QLAHIUAYKZFGIH-GJYPPUQNSA-N 0 1 382.472 0.974 20 0 GCADMN Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)c3cn(C)nn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214242 953100276 /nfs/dbraw/zinc/10/02/76/953100276.db2.gz ZQWAPWZXTIDGLP-VXGBXAGGSA-N 0 1 382.432 0.131 20 0 GCADMN Cc1cc(N2CCCC[C@@H]2CNC(=O)c2cnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214147 953100591 /nfs/dbraw/zinc/10/05/91/953100591.db2.gz YNZQXHBOEJMGBX-GFCCVEGCSA-N 0 1 382.432 0.488 20 0 GCADMN Cc1nc(CN2CC[C@]3(NC(=O)c4c[nH]c(-c5nn[nH]n5)c4)CCC[C@H]23)n[nH]1 ZINC001571214196 953100947 /nfs/dbraw/zinc/10/09/47/953100947.db2.gz ZCUOZPJUBBUEGT-SUMWQHHRSA-N 0 1 382.432 0.548 20 0 GCADMN NC(=O)[C@H](C1CC1)N(CC1CC1)S(=O)(=O)c1ccsc1-c1nn[nH]n1 ZINC001571214309 953101518 /nfs/dbraw/zinc/10/15/18/953101518.db2.gz WZQRLYQKFXTGOK-NSHDSACASA-N 0 1 382.471 0.593 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571218034 953112989 /nfs/dbraw/zinc/11/29/89/953112989.db2.gz KLZMRUBRBYGNEB-RKDXNWHRSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571218034 953112991 /nfs/dbraw/zinc/11/29/91/953112991.db2.gz KLZMRUBRBYGNEB-RKDXNWHRSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571218034 953112996 /nfs/dbraw/zinc/11/29/96/953112996.db2.gz KLZMRUBRBYGNEB-RKDXNWHRSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571218034 953112998 /nfs/dbraw/zinc/11/29/98/953112998.db2.gz KLZMRUBRBYGNEB-RKDXNWHRSA-N 0 1 382.881 0.941 20 0 GCADMN COc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)on1 ZINC001571218518 953115741 /nfs/dbraw/zinc/11/57/41/953115741.db2.gz WIVSSMOIRMYTEH-BBBLOLIVSA-N 0 1 383.372 0.193 20 0 GCADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cncc(F)c1 ZINC001571219170 953123460 /nfs/dbraw/zinc/12/34/60/953123460.db2.gz LBOUGSSENYZZNQ-GWCFXTLKSA-N 0 1 383.391 0.623 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)c1cnc(C)[nH]1 ZINC001571222549 953135845 /nfs/dbraw/zinc/13/58/45/953135845.db2.gz ITAHBQXWKFVROZ-SMDDNHRTSA-N 0 1 383.416 0.649 20 0 GCADMN C[C@@H]1CN(C(=O)Cc2cnoc2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571222643 953136604 /nfs/dbraw/zinc/13/66/04/953136604.db2.gz KINZHWMRTBCKDJ-DGCLKSJQSA-N 0 1 383.416 0.206 20 0 GCADMN CCc1nc(C)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)o1 ZINC001571222723 953137649 /nfs/dbraw/zinc/13/76/49/953137649.db2.gz KGFHESVFCDWOTD-GHMZBOCLSA-N 0 1 383.416 0.653 20 0 GCADMN CCc1nc(C)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)o1 ZINC001571222725 953137734 /nfs/dbraw/zinc/13/77/34/953137734.db2.gz KGFHESVFCDWOTD-QWRGUYRKSA-N 0 1 383.416 0.653 20 0 GCADMN COc1ccc(C2CC2)cc1CNC(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001571222809 953138342 /nfs/dbraw/zinc/13/83/42/953138342.db2.gz MOEBVXDKJXFBNG-UHFFFAOYSA-N 0 1 383.416 0.844 20 0 GCADMN CCc1ocnc1C(=O)N1CC[C@@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222773 953138631 /nfs/dbraw/zinc/13/86/31/953138631.db2.gz LSEHBZPMXLPCMW-WDEREUQCSA-N 0 1 383.416 0.592 20 0 GCADMN CCCc1cc(C(=O)N2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001571222914 953140842 /nfs/dbraw/zinc/14/08/42/953140842.db2.gz NKNQYYKRXSUNHS-NSHDSACASA-N 0 1 383.416 0.515 20 0 GCADMN CCc1ocnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571223235 953142253 /nfs/dbraw/zinc/14/22/53/953142253.db2.gz QXTHCQUMLDDKBA-MNOVXSKESA-N 0 1 383.416 0.994 20 0 GCADMN CCCc1cc(C(=O)N2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001571223990 953148436 /nfs/dbraw/zinc/14/84/36/953148436.db2.gz WTCCKGTVLHXUOF-GFCCVEGCSA-N 0 1 383.416 0.515 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571224050 953148850 /nfs/dbraw/zinc/14/88/50/953148850.db2.gz XOWMFTSAJLYCJN-LLVKDONJSA-N 0 1 383.416 0.081 20 0 GCADMN Cc1nc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)co1 ZINC001571224942 953152321 /nfs/dbraw/zinc/15/23/21/953152321.db2.gz HBFAJUSZEJDQDB-CMPLNLGQSA-N 0 1 383.416 0.585 20 0 GCADMN Cc1noc(C)c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571225910 953154188 /nfs/dbraw/zinc/15/41/88/953154188.db2.gz OEWBKGIXXKKATK-BXKDBHETSA-N 0 1 383.416 0.789 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@@H](C)[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001571225902 953154621 /nfs/dbraw/zinc/15/46/21/953154621.db2.gz OCZYQMNCYOKBKG-MFKMUULPSA-N 0 1 383.416 0.728 20 0 GCADMN Cc1cc(C(=O)N2CCC([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)CC2)on1 ZINC001571226419 953155478 /nfs/dbraw/zinc/15/54/78/953155478.db2.gz QKBUQUKTFBWDTP-LLVKDONJSA-N 0 1 383.416 0.728 20 0 GCADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1C[C@@H]2CCC[C@]2(CNCc2cnon2)C1 ZINC001571227751 953159129 /nfs/dbraw/zinc/15/91/29/953159129.db2.gz BEFQSIIWBVPYMM-SJCJKPOMSA-N 0 1 383.416 0.610 20 0 GCADMN CCn1nncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571228543 953165080 /nfs/dbraw/zinc/16/50/80/953165080.db2.gz REJOKMDULFIIDO-NSHDSACASA-N 0 1 383.420 0.057 20 0 GCADMN C[C@]1(CNc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001571230203 953174631 /nfs/dbraw/zinc/17/46/31/953174631.db2.gz 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CNS(=O)(=O)c1cccc(NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)c1C ZINC000481607391 530779903 /nfs/dbraw/zinc/77/99/03/530779903.db2.gz TZMSLKJUORZMDH-UHFFFAOYSA-N 0 1 387.439 0.819 20 0 GCADMN CCC(CC)[C@H](CNC(=O)NCCNS(=O)(=O)CC)N1CCOCC1 ZINC000057806886 530783454 /nfs/dbraw/zinc/78/34/54/530783454.db2.gz SSGBMYBCXBVSLU-HNNXBMFYSA-N 0 1 378.539 0.362 20 0 GCADMN COCCn1cc(CNCCNS(=O)(=O)c2sc(=O)[nH]c2C)cn1 ZINC000482532940 530785084 /nfs/dbraw/zinc/78/50/84/530785084.db2.gz RTWURWJLPLFPAK-UHFFFAOYSA-N 0 1 375.476 0.068 20 0 GCADMN C[C@H]1CN(CCCNC(=O)CNS(=O)(=O)c2cccs2)C[C@H](C)O1 ZINC000063709192 530786870 /nfs/dbraw/zinc/78/68/70/530786870.db2.gz ZIWJFUCKNAOIOS-STQMWFEESA-N 0 1 375.516 0.642 20 0 GCADMN CNS(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)N(C)C2CC2)cc1C ZINC000480523479 530766510 /nfs/dbraw/zinc/76/65/10/530766510.db2.gz HQXZORISLRCXMS-LBPRGKRZSA-N 0 1 375.516 0.664 20 0 GCADMN COC(=O)[C@H](NS(=O)(=O)c1cnnn1C)c1ccc(Br)cc1 ZINC000480529216 530767074 /nfs/dbraw/zinc/76/70/74/530767074.db2.gz 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530803728 /nfs/dbraw/zinc/80/37/28/530803728.db2.gz KPZOJKXWSBSURI-UHFFFAOYSA-N 0 1 384.849 0.064 20 0 GCADMN C[C@H](Cc1cccc(Br)c1)NC(=O)C(=O)NC[C@H]1COCCN1 ZINC000627292905 530806223 /nfs/dbraw/zinc/80/62/23/530806223.db2.gz GZZFLWFBZKYRQM-RISCZKNCSA-N 0 1 384.274 0.601 20 0 GCADMN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCCCC2)cc1 ZINC000069124723 530795912 /nfs/dbraw/zinc/79/59/12/530795912.db2.gz RKFLZKZIGYZHPL-AWEZNQCLSA-N 0 1 387.527 0.973 20 0 GCADMN O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)NCc1nnc[nH]1 ZINC000620525667 530827822 /nfs/dbraw/zinc/82/78/22/530827822.db2.gz SWZAPNXYEMNVPR-UHFFFAOYSA-N 0 1 378.186 0.870 20 0 GCADMN CCN(CCNC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)CCC(F)(F)F ZINC000490263810 530827989 /nfs/dbraw/zinc/82/79/89/530827989.db2.gz VWBNDHLOTOZRKW-LBPRGKRZSA-N 0 1 388.456 0.936 20 0 GCADMN O=C(CNS(=O)(=O)c1ccc(Cl)cc1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000377769229 530829386 /nfs/dbraw/zinc/82/93/86/530829386.db2.gz BGGYBWQKYPOGIK-KBPBESRZSA-N 0 1 387.889 0.598 20 0 GCADMN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCN1CCC(C)CC1 ZINC000491201143 530831897 /nfs/dbraw/zinc/83/18/97/530831897.db2.gz MUWPUWNQNJNYFS-UHFFFAOYSA-N 0 1 389.543 0.995 20 0 GCADMN NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3cncn3)nc2)cc1 ZINC000642092383 530832181 /nfs/dbraw/zinc/83/21/81/530832181.db2.gz LHEFYMRWHDCSHX-UHFFFAOYSA-N 0 1 380.411 0.111 20 0 GCADMN Cc1ncccc1NS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 ZINC000656303879 530833144 /nfs/dbraw/zinc/83/31/44/530833144.db2.gz OOTVUYKOTQQFKH-LLVKDONJSA-N 0 1 385.467 0.850 20 0 GCADMN COC(=O)[C@@]1(C)CCN(CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC000378134661 530835063 /nfs/dbraw/zinc/83/50/63/530835063.db2.gz PGCHXNKSJUFDIC-INIZCTEOSA-N 0 1 377.507 0.048 20 0 GCADMN CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)s1 ZINC000378189824 530835326 /nfs/dbraw/zinc/83/53/26/530835326.db2.gz JOCOMIUGUMFUFU-JTQLQIEISA-N 0 1 375.476 0.492 20 0 GCADMN CS(=O)(=O)[N-]c1nnc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)s1 ZINC000378189824 530835329 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COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000821691153 607276625 /nfs/dbraw/zinc/27/66/25/607276625.db2.gz KVMOWODTVFYXAD-ZDUSSCGKSA-N 0 1 387.444 0.341 20 0 GCADMN CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000737613167 597242124 /nfs/dbraw/zinc/24/21/24/597242124.db2.gz VNJLUVSWWQRJDZ-QGZVFWFLSA-N 0 1 390.484 0.640 20 0 GCADMN C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)C(=O)[O-] ZINC000818039681 597320354 /nfs/dbraw/zinc/32/03/54/597320354.db2.gz LHKPSTKVFHUXOP-LBPRGKRZSA-N 0 1 384.458 0.607 20 0 GCADMN C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)C(=O)[O-] ZINC000818039681 597320357 /nfs/dbraw/zinc/32/03/57/597320357.db2.gz LHKPSTKVFHUXOP-LBPRGKRZSA-N 0 1 384.458 0.607 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000818149322 597515814 /nfs/dbraw/zinc/51/58/14/597515814.db2.gz ZAQMINOEKDCKBA-CZUORRHYSA-N 0 1 377.441 0.556 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000818149322 597515816 /nfs/dbraw/zinc/51/58/16/597515816.db2.gz ZAQMINOEKDCKBA-CZUORRHYSA-N 0 1 377.441 0.556 20 0 GCADMN O=C([O-])[C@@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000262686099 597526303 /nfs/dbraw/zinc/52/63/03/597526303.db2.gz XXHFPZHTVHDZJY-CQSZACIVSA-N 0 1 384.454 0.493 20 0 GCADMN Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@H](C(=O)[O-])C3)CC2)nc(C(C)C)n1 ZINC000818835384 597527939 /nfs/dbraw/zinc/52/79/39/597527939.db2.gz IBCVAVVSPYQBLH-HNNXBMFYSA-N 0 1 375.473 0.964 20 0 GCADMN COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000818520353 597535816 /nfs/dbraw/zinc/53/58/16/597535816.db2.gz NJNZZSUAWOKSHZ-ZYHUDNBSSA-N 0 1 378.381 0.993 20 0 GCADMN COC[C@@H](C)S(=O)(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736971642 599273989 /nfs/dbraw/zinc/27/39/89/599273989.db2.gz VOFVCKHGKBLIIG-CYBMUJFWSA-N 0 1 382.490 0.595 20 0 GCADMN 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/nfs/dbraw/zinc/26/82/73/598268273.db2.gz WEZFGKIEHHJQGR-UHFFFAOYSA-N 0 1 377.474 0.901 20 0 GCADMN CCN(CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736537194 598301928 /nfs/dbraw/zinc/30/19/28/598301928.db2.gz JSAZSMANSCUASL-UHFFFAOYSA-N 0 1 392.485 0.382 20 0 GCADMN O=C(NCCCCN1CCOCC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC000738055493 598320009 /nfs/dbraw/zinc/32/00/09/598320009.db2.gz ZQJOVFXKGXVGGI-UHFFFAOYSA-N 0 1 377.424 0.917 20 0 GCADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000738100563 598327282 /nfs/dbraw/zinc/32/72/82/598327282.db2.gz REJNCHGISWTRSG-HOTGVXAUSA-N 0 1 389.435 0.746 20 0 GCADMN CC[C@H]1CN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CCN1CCOC ZINC000736412526 598345593 /nfs/dbraw/zinc/34/55/93/598345593.db2.gz VJUJJUIHNKIBHZ-KRWDZBQOSA-N 0 1 387.488 0.526 20 0 GCADMN Cc1oc(NC(=O)[C@@H](C)N2CCC([N@H+](C)CCO)CC2)c(-c2nn[n-]n2)c1C ZINC000737546182 598349858 /nfs/dbraw/zinc/34/98/58/598349858.db2.gz ABXVRODYWSNOLD-GFCCVEGCSA-N 0 1 391.476 0.792 20 0 GCADMN Cc1oc(NC(=O)[C@@H](C)N2CCC([N@@H+](C)CCO)CC2)c(-c2nn[n-]n2)c1C ZINC000737546182 598349859 /nfs/dbraw/zinc/34/98/59/598349859.db2.gz ABXVRODYWSNOLD-GFCCVEGCSA-N 0 1 391.476 0.792 20 0 GCADMN O=C(CN1CCC[C@@H](Cn2cncn2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875695 598351541 /nfs/dbraw/zinc/35/15/41/598351541.db2.gz LTOWMZVIKBHPNX-OAHLLOKOSA-N 0 1 381.444 0.487 20 0 GCADMN CCC(C)(C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000736314048 598370779 /nfs/dbraw/zinc/37/07/79/598370779.db2.gz QOCPDLQSYBKXRK-UHFFFAOYSA-N 0 1 391.432 0.791 20 0 GCADMN CN(C)[C@H](Cc1ccccc1)C(=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000736758322 598382985 /nfs/dbraw/zinc/38/29/85/598382985.db2.gz GDSXHVYKYZQCQU-MRXNPFEDSA-N 0 1 380.456 0.963 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(CC(F)F)C3CC3)CC2)o1 ZINC000737466925 598406139 /nfs/dbraw/zinc/40/61/39/598406139.db2.gz HLPPORFTXCMDTE-UHFFFAOYSA-N 0 1 396.402 0.541 20 0 GCADMN C[C@@H](CNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)N1CCN(C)CC1 ZINC000736013019 598407484 /nfs/dbraw/zinc/40/74/84/598407484.db2.gz BEBKHOOTISBXFU-AWEZNQCLSA-N 0 1 389.529 0.852 20 0 GCADMN Cc1oc(NC(=O)[C@H](C)N2CCO[C@@H](C[NH+](C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737550696 598427742 /nfs/dbraw/zinc/42/77/42/598427742.db2.gz BRVCPOFPGMHSTP-AAEUAGOBSA-N 0 1 377.449 0.666 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000738144229 598462957 /nfs/dbraw/zinc/46/29/57/598462957.db2.gz KJAZTMKJJMUCDR-JTQLQIEISA-N 0 1 375.820 0.812 20 0 GCADMN COCCN1CC[C@@H](NC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737008066 598466352 /nfs/dbraw/zinc/46/63/52/598466352.db2.gz RZNPWHLGFQWFST-OAHLLOKOSA-N 0 1 376.486 0.937 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3nccnc3-c3nnn[n-]3)c2)C1 ZINC000737746287 598502575 /nfs/dbraw/zinc/50/25/75/598502575.db2.gz QZECNTDANXITQD-HNNXBMFYSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3nccnc3-c3nnn[n-]3)c2)C1 ZINC000737746287 598502576 /nfs/dbraw/zinc/50/25/76/598502576.db2.gz QZECNTDANXITQD-HNNXBMFYSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3nccnc3-c3nn[n-]n3)c2)C1 ZINC000737746287 598502577 /nfs/dbraw/zinc/50/25/77/598502577.db2.gz QZECNTDANXITQD-HNNXBMFYSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3nccnc3-c3nn[n-]n3)c2)C1 ZINC000737746287 598502578 /nfs/dbraw/zinc/50/25/78/598502578.db2.gz QZECNTDANXITQD-HNNXBMFYSA-N 0 1 393.455 0.966 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1-c1nnn[n-]1 ZINC000737187276 598513241 /nfs/dbraw/zinc/51/32/41/598513241.db2.gz PKLGYLSJYPNTFR-JTQLQIEISA-N 0 1 375.458 0.903 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1-c1nn[n-]n1 ZINC000737187276 598513242 /nfs/dbraw/zinc/51/32/42/598513242.db2.gz PKLGYLSJYPNTFR-JTQLQIEISA-N 0 1 375.458 0.903 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1-c1nn[n-]n1 ZINC000737187276 598513244 /nfs/dbraw/zinc/51/32/44/598513244.db2.gz PKLGYLSJYPNTFR-JTQLQIEISA-N 0 1 375.458 0.903 20 0 GCADMN C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)NCc1ccccc1 ZINC000736133250 598524377 /nfs/dbraw/zinc/52/43/77/598524377.db2.gz GRDCFTIHSVIOND-OCCSQVGLSA-N 0 1 381.444 0.399 20 0 GCADMN O=C(C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCc2ccccc21 ZINC000737895255 598531446 /nfs/dbraw/zinc/53/14/46/598531446.db2.gz NVGYOQAMPHRRQE-LBPRGKRZSA-N 0 1 379.428 0.284 20 0 GCADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000737932128 598623344 /nfs/dbraw/zinc/62/33/44/598623344.db2.gz JPNOOSLZKMOKBC-LBPRGKRZSA-N 0 1 387.429 0.213 20 0 GCADMN O=C(NCCNc1ncccc1-c1nn[nH]n1)c1nnc2ccccc2c1O ZINC000738084148 598624255 /nfs/dbraw/zinc/62/42/55/598624255.db2.gz ZUJSKAHQBUSURL-UHFFFAOYSA-N 0 1 377.368 0.752 20 0 GCADMN CC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](O)c1c(F)cccc1F ZINC000820914898 607361163 /nfs/dbraw/zinc/36/11/63/607361163.db2.gz RPUCONFGFGTZPC-GXFFZTMASA-N 0 1 378.343 0.365 20 0 GCADMN CC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H](O)c1c(F)cccc1F ZINC000820914899 607361491 /nfs/dbraw/zinc/36/14/91/607361491.db2.gz RPUCONFGFGTZPC-MFKMUULPSA-N 0 1 378.343 0.365 20 0 GCADMN CCc1cccc(NC(=O)C[NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)c1 ZINC000736701220 598714300 /nfs/dbraw/zinc/71/43/00/598714300.db2.gz XNALRLFLYYDTPK-ZDUSSCGKSA-N 0 1 381.444 0.896 20 0 GCADMN CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(-c3nn[nH]n3)c(=O)c3ccccc32)C1 ZINC000735474094 598718855 /nfs/dbraw/zinc/71/88/55/598718855.db2.gz GVZMIFSLUBXRDM-ZDUSSCGKSA-N 0 1 395.423 0.309 20 0 GCADMN O=C(Cn1cc(-c2nn[n-]n2)c(=O)c2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000737982857 598720147 /nfs/dbraw/zinc/72/01/47/598720147.db2.gz SHDMRDFJNHHXKO-UHFFFAOYSA-N 0 1 393.451 0.925 20 0 GCADMN O=C(CN1CCC[C@@H](C(=O)N2CCCC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737876444 598728079 /nfs/dbraw/zinc/72/80/79/598728079.db2.gz QNYWTPJMYLGFNS-QGZVFWFLSA-N 0 1 397.483 0.817 20 0 GCADMN CCc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000736677319 598768739 /nfs/dbraw/zinc/76/87/39/598768739.db2.gz WWNUAJHMPZWCPH-UHFFFAOYSA-N 0 1 389.441 0.383 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(C)CC(F)(F)F)CC2)o1 ZINC000737466791 598776014 /nfs/dbraw/zinc/77/60/14/598776014.db2.gz CXESPQAHVCDPLM-UHFFFAOYSA-N 0 1 388.354 0.306 20 0 GCADMN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1c1ccccc1F ZINC000738294969 598778872 /nfs/dbraw/zinc/77/88/72/598778872.db2.gz GRLTXGPAQNLFIT-RISCZKNCSA-N 0 1 397.418 0.639 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@H+]3CCCC(C)(C)C3)CC2)o1 ZINC000737467461 598797004 /nfs/dbraw/zinc/79/70/04/598797004.db2.gz PNIJPPMFXWSKID-UHFFFAOYSA-N 0 1 388.476 0.934 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CCCC(C)(C)C3)CC2)o1 ZINC000737467461 598797010 /nfs/dbraw/zinc/79/70/10/598797010.db2.gz PNIJPPMFXWSKID-UHFFFAOYSA-N 0 1 388.476 0.934 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CCCC(C)(C)C3)CC2)o1 ZINC000737467461 598797012 /nfs/dbraw/zinc/79/70/12/598797012.db2.gz PNIJPPMFXWSKID-UHFFFAOYSA-N 0 1 388.476 0.934 20 0 GCADMN O=C(CN1CCN([C@@H]2CCC[C@H]2O)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737873835 598811780 /nfs/dbraw/zinc/81/17/80/598811780.db2.gz QQHPNPKRAQGFQH-CHWSQXEVSA-N 0 1 377.474 0.398 20 0 GCADMN O=C(CN1CCN([C@H]2CCC[C@H]2O)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737873839 598811909 /nfs/dbraw/zinc/81/19/09/598811909.db2.gz QQHPNPKRAQGFQH-QWHCGFSZSA-N 0 1 377.474 0.398 20 0 GCADMN C[C@@H](CCN(C)C)NC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735984634 598812879 /nfs/dbraw/zinc/81/28/79/598812879.db2.gz FYEZSODCOHVFSA-LBPRGKRZSA-N 0 1 380.474 0.238 20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000737031580 599292691 /nfs/dbraw/zinc/29/26/91/599292691.db2.gz AMCADJKRPIOHJY-HNNXBMFYSA-N 0 1 386.416 0.754 20 0 GCADMN CCc1nc([C@H]2CN(S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000736697235 599293172 /nfs/dbraw/zinc/29/31/72/599293172.db2.gz BXFJXYLQMPVYEF-GFCCVEGCSA-N 0 1 390.429 0.309 20 0 GCADMN Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)CCO2)n[nH]1 ZINC000737452803 599294328 /nfs/dbraw/zinc/29/43/28/599294328.db2.gz LSWMDIZUMRPRSN-LBPRGKRZSA-N 0 1 390.429 0.364 20 0 GCADMN Cc1nc(CN2CCN(C(=O)[C@@H](C)Oc3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000737478909 599343905 /nfs/dbraw/zinc/34/39/05/599343905.db2.gz VIWKACBRRNUWSO-GFCCVEGCSA-N 0 1 397.443 0.405 20 0 GCADMN CC[C@@H](O)CN1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736381655 599357818 /nfs/dbraw/zinc/35/78/18/599357818.db2.gz JLLKUSMAKAJGAO-IAGOWNOFSA-N 0 1 385.472 0.361 20 0 GCADMN CN(C)C(=O)c1cccc(CCN[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821579957 599380931 /nfs/dbraw/zinc/38/09/31/599380931.db2.gz UDLQRCPEPMEUMK-KRWDZBQOSA-N 0 1 393.451 0.927 20 0 GCADMN Cn1cc(N2CCC[C@H](N[C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC000822679973 599381255 /nfs/dbraw/zinc/38/12/55/599381255.db2.gz KOFQVMHJWGYOKE-HOCLYGCPSA-N 0 1 381.444 0.385 20 0 GCADMN O=C(NCCCCN1CCOCC1)NCCOc1ccc(-c2nn[nH]n2)cc1 ZINC000823187135 599418709 /nfs/dbraw/zinc/41/87/09/599418709.db2.gz CKEGAGKRLJQTBS-UHFFFAOYSA-N 0 1 389.460 0.657 20 0 GCADMN COc1ccc(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)cc1-c1nn[nH]n1 ZINC000821805272 599463560 /nfs/dbraw/zinc/46/35/60/599463560.db2.gz SGVXRUTZJPPJBV-ABAIWWIYSA-N 0 1 382.428 0.892 20 0 GCADMN Cn1ccnc(N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)c1=O ZINC000822693956 599472520 /nfs/dbraw/zinc/47/25/20/599472520.db2.gz PJSWPTAFEOYPJC-UHFFFAOYSA-N 0 1 395.383 0.535 20 0 GCADMN O[C@H]1CCC[C@@H]1N1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000823699289 599572625 /nfs/dbraw/zinc/57/26/25/599572625.db2.gz UIWPQHKYPURUKZ-HOTGVXAUSA-N 0 1 396.455 0.948 20 0 GCADMN CC[C@H](O)CN1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000820932968 599585109 /nfs/dbraw/zinc/58/51/09/599585109.db2.gz RUDWSRHZQRNQLR-HNNXBMFYSA-N 0 1 384.444 0.805 20 0 GCADMN Cc1ccoc1C(=O)NCCCN[C@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737442753 599598550 /nfs/dbraw/zinc/59/85/50/599598550.db2.gz GXAGJSSWCXCCKJ-AWEZNQCLSA-N 0 1 383.412 0.704 20 0 GCADMN CCc1cc(CNC(=O)N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)n[nH]1 ZINC000736677322 599602772 /nfs/dbraw/zinc/60/27/72/599602772.db2.gz XDRCEYVONTTZQU-UHFFFAOYSA-N 0 1 382.432 0.579 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000821752609 599611765 /nfs/dbraw/zinc/61/17/65/599611765.db2.gz OPRRBESLEXSWCG-CYBMUJFWSA-N 0 1 383.412 0.287 20 0 GCADMN CC[C@H](CO)N1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000820909408 599642346 /nfs/dbraw/zinc/64/23/46/599642346.db2.gz VOHGZEIDOSRMTP-TZMCWYRMSA-N 0 1 391.476 0.792 20 0 GCADMN COCCOC[C@@H]1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000821692475 599642721 /nfs/dbraw/zinc/64/27/21/599642721.db2.gz YNNQUGKURWWVFQ-RHSMWYFYSA-N 0 1 386.456 0.957 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000822458973 599657477 /nfs/dbraw/zinc/65/74/77/599657477.db2.gz LITAZDQOMCYPAP-GFCCVEGCSA-N 0 1 397.487 0.917 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000822458973 599657478 /nfs/dbraw/zinc/65/74/78/599657478.db2.gz LITAZDQOMCYPAP-GFCCVEGCSA-N 0 1 397.487 0.917 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000822458973 599657479 /nfs/dbraw/zinc/65/74/79/599657479.db2.gz LITAZDQOMCYPAP-GFCCVEGCSA-N 0 1 397.487 0.917 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000822458973 599657480 /nfs/dbraw/zinc/65/74/80/599657480.db2.gz LITAZDQOMCYPAP-GFCCVEGCSA-N 0 1 397.487 0.917 20 0 GCADMN C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000564972267 599703777 /nfs/dbraw/zinc/70/37/77/599703777.db2.gz UUPCUVAWMVANMB-KRWDZBQOSA-N 0 1 388.468 0.952 20 0 GCADMN COC(=O)c1cc(NC(=O)C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)cc(C(=O)[O-])c1 ZINC000737664275 599712072 /nfs/dbraw/zinc/71/20/72/599712072.db2.gz ASDRBDRLVFNQBE-MNOVXSKESA-N 0 1 377.397 0.696 20 0 GCADMN Nc1c(C(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c(=O)[nH]c(=O)n1C1CC1 ZINC000739201343 599713098 /nfs/dbraw/zinc/71/30/98/599713098.db2.gz RFOXAGPLIGBRND-DLOVCJGASA-N 0 1 376.413 0.766 20 0 GCADMN O=C([O-])NCCC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000739937659 599724796 /nfs/dbraw/zinc/72/47/96/599724796.db2.gz FHLJMROEPRIACT-UHFFFAOYSA-N 0 1 378.429 0.621 20 0 GCADMN CN(CCCC(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(=O)[O-] ZINC000737422426 599747742 /nfs/dbraw/zinc/74/77/42/599747742.db2.gz MRDYDRNOKNLMBV-UHFFFAOYSA-N 0 1 376.457 0.837 20 0 GCADMN O=C([O-])CCOc1ccc(S(=O)(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000739737909 599786473 /nfs/dbraw/zinc/78/64/73/599786473.db2.gz BHBBMKDWBNEIGB-UKRRQHHQSA-N 0 1 384.454 0.682 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cc(C(=O)[O-])ccc2F)C1 ZINC000739155182 599813263 /nfs/dbraw/zinc/81/32/63/599813263.db2.gz TYEHWWVDVSUGLL-LBPRGKRZSA-N 0 1 387.433 0.390 20 0 GCADMN O=C([O-])CNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000739811593 599816185 /nfs/dbraw/zinc/81/61/85/599816185.db2.gz CTBQQDHMVHIGQG-CABCVRRESA-N 0 1 376.413 0.486 20 0 GCADMN 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20 0 GCADMN CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3ccc(OCC(=O)[O-])cc3)C[C@@H]2C)CC1 ZINC000825839752 601672061 /nfs/dbraw/zinc/67/20/61/601672061.db2.gz GROWJMLDKKQFRG-KBXCAEBGSA-N 0 1 389.452 0.775 20 0 GCADMN COc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C2)cc(OC)c1 ZINC000831996482 601739878 /nfs/dbraw/zinc/73/98/78/601739878.db2.gz XWLJVXXUFWGRPK-ZDUSSCGKSA-N 0 1 389.412 0.384 20 0 GCADMN COc1cc(C[N@H+]2CC[C@H](NC(=O)Cn3cc(C(=O)[O-])nn3)C2)cc(OC)c1 ZINC000831996482 601739879 /nfs/dbraw/zinc/73/98/79/601739879.db2.gz XWLJVXXUFWGRPK-ZDUSSCGKSA-N 0 1 389.412 0.384 20 0 GCADMN CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C[C@@H]2C)CC1 ZINC000825839619 601755632 /nfs/dbraw/zinc/75/56/32/601755632.db2.gz FCOIGPNDSOIIND-XHDPSFHLSA-N 0 1 376.457 0.954 20 0 GCADMN O=C([O-])C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000833218601 601766400 /nfs/dbraw/zinc/76/64/00/601766400.db2.gz QHSWBKHSEOABAN-QGZVFWFLSA-N 0 1 376.457 0.694 20 0 GCADMN 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COC(=O)[C@@H]1C[N@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C[C@H]1C ZINC000831118792 601883073 /nfs/dbraw/zinc/88/30/73/601883073.db2.gz FBDRPXPGFVUQEH-BXUZGUMPSA-N 0 1 375.381 0.852 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C[C@H]1C ZINC000831118792 601883075 /nfs/dbraw/zinc/88/30/75/601883075.db2.gz FBDRPXPGFVUQEH-BXUZGUMPSA-N 0 1 375.381 0.852 20 0 GCADMN CC(C)N(CCCNC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-])S(C)(=O)=O ZINC000826947427 601889815 /nfs/dbraw/zinc/88/98/15/601889815.db2.gz TZYNUVWWDLIFNS-CYBMUJFWSA-N 0 1 395.547 0.055 20 0 GCADMN CC(C)N(CCCNC(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-])S(C)(=O)=O ZINC000826947427 601889819 /nfs/dbraw/zinc/88/98/19/601889819.db2.gz TZYNUVWWDLIFNS-CYBMUJFWSA-N 0 1 395.547 0.055 20 0 GCADMN COc1ccc(CCN2C(=O)C(=O)N(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000832299640 601894362 /nfs/dbraw/zinc/89/43/62/601894362.db2.gz IULCJPFCQHPBDN-IBGZPJMESA-N 0 1 389.408 0.783 20 0 GCADMN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000825990399 601926423 /nfs/dbraw/zinc/92/64/23/601926423.db2.gz MAMHBYNNPSBLCZ-KGLIPLIRSA-N 0 1 395.481 0.845 20 0 GCADMN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)C1=O ZINC000829069894 601940785 /nfs/dbraw/zinc/94/07/85/601940785.db2.gz VGANOGNEOMSPCO-RTBURBONSA-N 0 1 388.424 0.672 20 0 GCADMN C[C@@]1(C(=O)[O-])CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000571648735 601945383 /nfs/dbraw/zinc/94/53/83/601945383.db2.gz DXCVDFNRNZSUMF-GOSISDBHSA-N 0 1 398.481 0.883 20 0 GCADMN C[NH+](C)CCN(C(=O)CCc1ccc(C(=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000830604572 602048903 /nfs/dbraw/zinc/04/89/03/602048903.db2.gz ROYWXZOYYZZGBR-INIZCTEOSA-N 0 1 382.482 0.895 20 0 GCADMN O=C([O-])C1([NH2+]CC(=O)NC2(c3ccccc3)CCC2)CCS(=O)(=O)CC1 ZINC000833109915 602061453 /nfs/dbraw/zinc/06/14/53/602061453.db2.gz CXPPDFGPFWNQLO-UHFFFAOYSA-N 0 1 380.466 0.804 20 0 GCADMN C[C@H]1C[C@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CC[N@H+]1C ZINC000828178029 602084846 /nfs/dbraw/zinc/08/48/46/602084846.db2.gz YXYWLWIFRXCYDD-XJKSGUPXSA-N 0 1 397.497 0.968 20 0 GCADMN CC[NH+]1CCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CC1 ZINC000829771522 602092034 /nfs/dbraw/zinc/09/20/34/602092034.db2.gz YDUQTLVKNISUOV-UHFFFAOYSA-N 0 1 383.470 0.533 20 0 GCADMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)C1 ZINC000738014390 602128478 /nfs/dbraw/zinc/12/84/78/602128478.db2.gz BSFASNCIUZHVQX-QGZVFWFLSA-N 0 1 388.468 0.491 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000737670006 602128525 /nfs/dbraw/zinc/12/85/25/602128525.db2.gz VPGPIUYSMTUQMU-CQSZACIVSA-N 0 1 376.457 0.252 20 0 GCADMN COC(=O)Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)c1 ZINC000831188981 602132638 /nfs/dbraw/zinc/13/26/38/602132638.db2.gz MYYSVCDZVUCWNN-CYBMUJFWSA-N 0 1 391.424 0.348 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000830934573 602221498 /nfs/dbraw/zinc/22/14/98/602221498.db2.gz HSNRNHSSRCTPOV-ZDUSSCGKSA-N 0 1 399.444 0.451 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000830934273 602221734 /nfs/dbraw/zinc/22/17/34/602221734.db2.gz CRNRNOZSXYSWNS-MRXNPFEDSA-N 0 1 395.481 0.241 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000830934769 602221803 /nfs/dbraw/zinc/22/18/03/602221803.db2.gz KJWFQUCFPQSYQH-MRXNPFEDSA-N 0 1 395.481 0.453 20 0 GCADMN Cc1oc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C(=O)[O-] ZINC000833028580 602222604 /nfs/dbraw/zinc/22/26/04/602222604.db2.gz VDELSYZDALLHOY-ZDUSSCGKSA-N 0 1 385.442 0.213 20 0 GCADMN C[C@]1(C(=O)[O-])CC[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000828024805 602222926 /nfs/dbraw/zinc/22/29/26/602222926.db2.gz WZHVHBZPTPIYLE-AWEZNQCLSA-N 0 1 375.834 0.723 20 0 GCADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C1 ZINC000828024805 602222928 /nfs/dbraw/zinc/22/29/28/602222928.db2.gz WZHVHBZPTPIYLE-AWEZNQCLSA-N 0 1 375.834 0.723 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nc(CC(=O)[O-])cs2)CC1 ZINC000830935341 602236055 /nfs/dbraw/zinc/23/60/55/602236055.db2.gz WPPCHFRQFGWYJJ-LBPRGKRZSA-N 0 1 381.458 0.541 20 0 GCADMN CCC[C@H](O)CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825248612 607554290 /nfs/dbraw/zinc/55/42/90/607554290.db2.gz XBLFHCLOGCNQLJ-LBPRGKRZSA-N 0 1 375.433 0.932 20 0 GCADMN COc1c(F)cc(F)cc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000831852262 602254660 /nfs/dbraw/zinc/25/46/60/602254660.db2.gz UUEYALWBWVDZTE-SNVBAGLBSA-N 0 1 385.367 0.919 20 0 GCADMN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825851051 607556433 /nfs/dbraw/zinc/55/64/33/607556433.db2.gz SYFLWDKDRACDGT-BYCMXARLSA-N 0 1 393.473 0.134 20 0 GCADMN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825851051 607556435 /nfs/dbraw/zinc/55/64/35/607556435.db2.gz SYFLWDKDRACDGT-BYCMXARLSA-N 0 1 393.473 0.134 20 0 GCADMN CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)C[C@H]2C)CC1 ZINC000825839713 602368737 /nfs/dbraw/zinc/36/87/37/602368737.db2.gz GLWNWRWFRJMRPS-MLGOLLRUSA-N 0 1 377.445 0.740 20 0 GCADMN CC(=O)N1CC[NH+]([C@H]2CN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)C[C@H]2C)CC1 ZINC000825839715 602368780 /nfs/dbraw/zinc/36/87/80/602368780.db2.gz GLWNWRWFRJMRPS-WBMJQRKESA-N 0 1 377.445 0.740 20 0 GCADMN O=C([O-])CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000833244468 602400191 /nfs/dbraw/zinc/40/01/91/602400191.db2.gz RZFJRUBBDNHKEX-INIZCTEOSA-N 0 1 381.473 0.556 20 0 GCADMN O=C([O-])CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCC1 ZINC000833244469 602400264 /nfs/dbraw/zinc/40/02/64/602400264.db2.gz RZFJRUBBDNHKEX-MRXNPFEDSA-N 0 1 381.473 0.556 20 0 GCADMN C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(Cl)cc1-c1nn[nH]n1 ZINC000824413757 607610085 /nfs/dbraw/zinc/61/00/85/607610085.db2.gz PWGPIZPCUGMPDP-NSHDSACASA-N 0 1 399.908 0.434 20 0 GCADMN O=S(=O)(NC1CCN(C[C@H]2CCCO2)CC1)c1ccccc1-c1nn[nH]n1 ZINC000826488269 607617400 /nfs/dbraw/zinc/61/74/00/607617400.db2.gz MAJXMHJJCRWSHF-CQSZACIVSA-N 0 1 392.485 0.788 20 0 GCADMN Cc1nc([C@H]2CN(S(=O)(=O)c3cccc(F)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000826322326 607653057 /nfs/dbraw/zinc/65/30/57/607653057.db2.gz IAVLIERQXJAUDY-SNVBAGLBSA-N 0 1 394.392 0.195 20 0 GCADMN O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000833173243 604362241 /nfs/dbraw/zinc/36/22/41/604362241.db2.gz PIMHOFJMGGNKMQ-ZWKOTPCHSA-N 0 1 397.903 0.776 20 0 GCADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000827015456 604398576 /nfs/dbraw/zinc/39/85/76/604398576.db2.gz CTOWYQQYXXPQSU-MRXNPFEDSA-N 0 1 378.473 0.930 20 0 GCADMN C[C@H](NC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)[C@@H]1C[N@H+](C)CCO1 ZINC000827659052 604432775 /nfs/dbraw/zinc/43/27/75/604432775.db2.gz NUBDBEWQCMPHNX-UHTWSYAYSA-N 0 1 396.469 0.570 20 0 GCADMN C[C@H](NC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000827659052 604432778 /nfs/dbraw/zinc/43/27/78/604432778.db2.gz NUBDBEWQCMPHNX-UHTWSYAYSA-N 0 1 396.469 0.570 20 0 GCADMN CN(CCCOc1ccccc1)C(=O)C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000830776951 604437202 /nfs/dbraw/zinc/43/72/02/604437202.db2.gz DNQOWKRQGAGVPL-UHFFFAOYSA-N 0 1 398.481 0.536 20 0 GCADMN Cc1cccc(OCCCNC(=O)C[NH2+]C2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC000832972274 604437274 /nfs/dbraw/zinc/43/72/74/604437274.db2.gz URSCGKABFWCMNG-UHFFFAOYSA-N 0 1 398.481 0.502 20 0 GCADMN CCOc1ccc(CN(C)C(=O)C[NH2+]C2(C(=O)[O-])CCS(=O)(=O)CC2)cc1 ZINC000830075153 604438475 /nfs/dbraw/zinc/43/84/75/604438475.db2.gz IZJJNFRYFHYAEN-UHFFFAOYSA-N 0 1 398.481 0.665 20 0 GCADMN C[C@@H](NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000827671924 604447844 /nfs/dbraw/zinc/44/78/44/604447844.db2.gz NTUHNSJIGKQBOY-DOMZBBRYSA-N 0 1 378.429 0.732 20 0 GCADMN C[C@@H](NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827671924 604447847 /nfs/dbraw/zinc/44/78/47/604447847.db2.gz NTUHNSJIGKQBOY-DOMZBBRYSA-N 0 1 378.429 0.732 20 0 GCADMN C[C@H](NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000827671803 604448808 /nfs/dbraw/zinc/44/88/08/604448808.db2.gz KTKAFIBXWIMAHV-WFASDCNBSA-N 0 1 378.429 0.271 20 0 GCADMN C[C@H](NC(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827671803 604448811 /nfs/dbraw/zinc/44/88/11/604448811.db2.gz KTKAFIBXWIMAHV-WFASDCNBSA-N 0 1 378.429 0.271 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935355 604459972 /nfs/dbraw/zinc/45/99/72/604459972.db2.gz WWEISIMILLNOIM-QGZVFWFLSA-N 0 1 388.468 0.875 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935354 604460310 /nfs/dbraw/zinc/46/03/10/604460310.db2.gz WWEISIMILLNOIM-KRWDZBQOSA-N 0 1 388.468 0.875 20 0 GCADMN 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C[C@H]1CN(C(=O)C2CCN(C(=O)N3CCCC3)CC2)CC[N@H+]1CCC(=O)[O-] ZINC000833617120 605251146 /nfs/dbraw/zinc/25/11/46/605251146.db2.gz AOAPAYCLKNBLJI-HNNXBMFYSA-N 0 1 380.489 0.922 20 0 GCADMN CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@H](C)C2)cc1 ZINC000833505166 605255712 /nfs/dbraw/zinc/25/57/12/605255712.db2.gz YGBJSFKPIRLDBV-CQSZACIVSA-N 0 1 397.497 0.994 20 0 GCADMN C[C@H]1CN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC[N@H+]1CCC(=O)[O-] ZINC000833625391 605259455 /nfs/dbraw/zinc/25/94/55/605259455.db2.gz XUIFKKOMOQOQES-ZDUSSCGKSA-N 0 1 395.481 0.630 20 0 GCADMN C[C@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833621663 605277410 /nfs/dbraw/zinc/27/74/10/605277410.db2.gz LAEMZZKRQMYVGY-ZDUSSCGKSA-N 0 1 388.424 0.359 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833622812 605277470 /nfs/dbraw/zinc/27/74/70/605277470.db2.gz OGQYGENDAIXTQZ-OAHLLOKOSA-N 0 1 384.436 0.913 20 0 GCADMN CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CC1 ZINC000833464034 605290067 /nfs/dbraw/zinc/29/00/67/605290067.db2.gz OLQIKXAQEPADMT-UHFFFAOYSA-N 0 1 382.392 0.769 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000826425149 607752121 /nfs/dbraw/zinc/75/21/21/607752121.db2.gz RMTCGORXXZQBRX-QWHCGFSZSA-N 0 1 386.416 0.946 20 0 GCADMN O=C([O-])c1csc(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000833784548 605405542 /nfs/dbraw/zinc/40/55/42/605405542.db2.gz BISMIKFTLAWODI-UHFFFAOYSA-N 0 1 390.483 0.294 20 0 GCADMN CC(C)C[C@@H](NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)[O-] ZINC000833476525 605503620 /nfs/dbraw/zinc/50/36/20/605503620.db2.gz CHVUBYIHABTARN-UJJTZGENSA-N 0 1 380.533 0.845 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 ZINC000833618903 605532791 /nfs/dbraw/zinc/53/27/91/605532791.db2.gz GJORKFBNULNVSY-LYRGGWFBSA-N 0 1 393.465 0.698 20 0 GCADMN O=C([O-])N1CCC[C@H](NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000739401524 605661696 /nfs/dbraw/zinc/66/16/96/605661696.db2.gz CGRXXELQHNRLOG-DLBZAZTESA-N 0 1 376.457 0.847 20 0 GCADMN COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000833707544 605691797 /nfs/dbraw/zinc/69/17/97/605691797.db2.gz LSKMVSOUYTVXAB-OCCSQVGLSA-N 0 1 377.397 0.452 20 0 GCADMN C/C(=C/C[NH+]1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C(=O)[O-] ZINC000833383786 605710860 /nfs/dbraw/zinc/71/08/60/605710860.db2.gz PQYCCDDLGODISS-SZCQRLSZSA-N 0 1 375.473 0.872 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-])CN1CC[NH+](C)CC1 ZINC000833516898 605918945 /nfs/dbraw/zinc/91/89/45/605918945.db2.gz ASMCCSDMENIUJW-LLVKDONJSA-N 0 1 398.410 0.601 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CSc3cnccn3)CC2)o1 ZINC000822423902 606050142 /nfs/dbraw/zinc/05/01/42/606050142.db2.gz QOUUAGDDIDHPHT-UHFFFAOYSA-N 0 1 387.429 0.394 20 0 GCADMN CCOC[C@@H](O)CN1CCN(c2nc3ccccc3cc2-c2nn[nH]n2)CC1 ZINC000821368154 606076989 /nfs/dbraw/zinc/07/69/89/606076989.db2.gz RJSSTRQWGATRQB-HNNXBMFYSA-N 0 1 383.456 0.934 20 0 GCADMN CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821188982 606144898 /nfs/dbraw/zinc/14/48/98/606144898.db2.gz HSJKMJCZYLBYDX-CYBMUJFWSA-N 0 1 395.489 0.383 20 0 GCADMN CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821188982 606144901 /nfs/dbraw/zinc/14/49/01/606144901.db2.gz HSJKMJCZYLBYDX-CYBMUJFWSA-N 0 1 395.489 0.383 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000821587381 606163709 /nfs/dbraw/zinc/16/37/09/606163709.db2.gz UUMHEMBKUPOCQN-UHFFFAOYSA-N 0 1 399.459 0.905 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000821587381 606163711 /nfs/dbraw/zinc/16/37/11/606163711.db2.gz UUMHEMBKUPOCQN-UHFFFAOYSA-N 0 1 399.459 0.905 20 0 GCADMN C[C@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820804370 606189335 /nfs/dbraw/zinc/18/93/35/606189335.db2.gz RMLXBFIXQZJHHH-DZGCQCFKSA-N 0 1 376.486 0.809 20 0 GCADMN O=S(=O)(CC1CC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000823557288 606201344 /nfs/dbraw/zinc/20/13/44/606201344.db2.gz ITNQIDCJEKVEKR-UHFFFAOYSA-N 0 1 379.446 0.594 20 0 GCADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000821629060 606280908 /nfs/dbraw/zinc/28/09/08/606280908.db2.gz XRLYBYFWAPXBNH-UHFFFAOYSA-N 0 1 381.444 0.282 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000821970148 606285897 /nfs/dbraw/zinc/28/58/97/606285897.db2.gz IZDNRPRRHPJLTL-VHSXEESVSA-N 0 1 393.473 0.216 20 0 GCADMN COC(=O)[C@H](c1cccc(-c2nn[nH]n2)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000821652539 606319419 /nfs/dbraw/zinc/31/94/19/606319419.db2.gz VDCPRWIZPHLDRB-ULQDDVLXSA-N 0 1 386.456 0.612 20 0 GCADMN CC[C@H](CO)N1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820907772 606330301 /nfs/dbraw/zinc/33/03/01/606330301.db2.gz HAAVHKFLMWHYGL-TZMCWYRMSA-N 0 1 391.501 0.422 20 0 GCADMN C[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1N1CCOCC1 ZINC000820750299 606333599 /nfs/dbraw/zinc/33/35/99/606333599.db2.gz ANMMOQXSNWVCGL-ZTFGCOKTSA-N 0 1 397.483 0.625 20 0 GCADMN C[C@@H]1CN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1N1CCOCC1 ZINC000820752682 606334005 /nfs/dbraw/zinc/33/40/05/606334005.db2.gz PRNMPAYLJJCEHA-RHSMWYFYSA-N 0 1 385.472 0.135 20 0 GCADMN C[NH+](C)CCNC(=O)C1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000821587347 606561558 /nfs/dbraw/zinc/56/15/58/606561558.db2.gz SQOAVQQAHYSRIA-UHFFFAOYSA-N 0 1 377.474 0.458 20 0 GCADMN CN(C[C@H]1CCOC1)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000821598024 606631610 /nfs/dbraw/zinc/63/16/10/606631610.db2.gz OEBUPNSCBVCLCF-CYBMUJFWSA-N 0 1 385.428 0.557 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCN1C(=O)c2ccccc2C1=O ZINC000821600440 606699964 /nfs/dbraw/zinc/69/99/64/606699964.db2.gz MVFNDJMUAPWUFJ-UHFFFAOYSA-N 0 1 395.427 0.333 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCN1C(=O)c2ccccc2C1=O ZINC000821600440 606699966 /nfs/dbraw/zinc/69/99/66/606699966.db2.gz MVFNDJMUAPWUFJ-UHFFFAOYSA-N 0 1 395.427 0.333 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCN1C(=O)c2ccccc2C1=O ZINC000821600440 606699968 /nfs/dbraw/zinc/69/99/68/606699968.db2.gz MVFNDJMUAPWUFJ-UHFFFAOYSA-N 0 1 395.427 0.333 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCN1C(=O)c2ccccc2C1=O ZINC000821600440 606699970 /nfs/dbraw/zinc/69/99/70/606699970.db2.gz MVFNDJMUAPWUFJ-UHFFFAOYSA-N 0 1 395.427 0.333 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc(=O)n2ccccc2n1 ZINC000821601712 606700910 /nfs/dbraw/zinc/70/09/10/606700910.db2.gz WCXNEQLTWMQWHE-UHFFFAOYSA-N 0 1 380.416 0.245 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)Cc1cc(=O)n2ccccc2n1 ZINC000821601712 606700912 /nfs/dbraw/zinc/70/09/12/606700912.db2.gz WCXNEQLTWMQWHE-UHFFFAOYSA-N 0 1 380.416 0.245 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(=O)n2ccccc2n1 ZINC000821601712 606700914 /nfs/dbraw/zinc/70/09/14/606700914.db2.gz WCXNEQLTWMQWHE-UHFFFAOYSA-N 0 1 380.416 0.245 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1cc(=O)n2ccccc2n1 ZINC000821601712 606700916 /nfs/dbraw/zinc/70/09/16/606700916.db2.gz WCXNEQLTWMQWHE-UHFFFAOYSA-N 0 1 380.416 0.245 20 0 GCADMN C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819856699 606701637 /nfs/dbraw/zinc/70/16/37/606701637.db2.gz LAAVVZDVPBHNOL-GFCCVEGCSA-N 0 1 375.481 0.828 20 0 GCADMN C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819856699 606701638 /nfs/dbraw/zinc/70/16/38/606701638.db2.gz LAAVVZDVPBHNOL-GFCCVEGCSA-N 0 1 375.481 0.828 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C(C)C)C3)CC2)o1 ZINC000822422633 606715136 /nfs/dbraw/zinc/71/51/36/606715136.db2.gz AQOBIXCHDUKHOX-CQSZACIVSA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C(C)C)C3)CC2)o1 ZINC000822422633 606715139 /nfs/dbraw/zinc/71/51/39/606715139.db2.gz AQOBIXCHDUKHOX-CQSZACIVSA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C(C)C)C3)CC2)o1 ZINC000822422633 606715140 /nfs/dbraw/zinc/71/51/40/606715140.db2.gz AQOBIXCHDUKHOX-CQSZACIVSA-N 0 1 388.476 0.790 20 0 GCADMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2Cl)C1 ZINC000821690319 606741310 /nfs/dbraw/zinc/74/13/10/606741310.db2.gz FQSCLWRKJJUMIR-LLVKDONJSA-N 0 1 393.835 0.296 20 0 GCADMN CC1(C2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)CC2)OCCO1 ZINC000820612948 606750298 /nfs/dbraw/zinc/75/02/98/606750298.db2.gz OIXOCOXAHKCMLK-UHFFFAOYSA-N 0 1 386.456 0.958 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000820788588 606782694 /nfs/dbraw/zinc/78/26/94/606782694.db2.gz KARYERSRDJKVDW-ZBFHGGJFSA-N 0 1 380.456 0.771 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000820788588 606782695 /nfs/dbraw/zinc/78/26/95/606782695.db2.gz KARYERSRDJKVDW-ZBFHGGJFSA-N 0 1 380.456 0.771 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC000820788588 606782697 /nfs/dbraw/zinc/78/26/97/606782697.db2.gz KARYERSRDJKVDW-ZBFHGGJFSA-N 0 1 380.456 0.771 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1C[C@@H](O)Cc1ccccc1 ZINC000820788588 606782699 /nfs/dbraw/zinc/78/26/99/606782699.db2.gz KARYERSRDJKVDW-ZBFHGGJFSA-N 0 1 380.456 0.771 20 0 GCADMN Cc1cc(CNC(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)n[nH]1 ZINC000822199829 606793708 /nfs/dbraw/zinc/79/37/08/606793708.db2.gz JHMMFZWISODVJC-LLVKDONJSA-N 0 1 383.420 0.109 20 0 GCADMN CCCS(=O)(=O)NC1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821139372 606852535 /nfs/dbraw/zinc/85/25/35/606852535.db2.gz VYMZNBAKIGLZPE-MRXNPFEDSA-N 0 1 394.501 0.694 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)cc1-c1nn[nH]n1 ZINC000821970226 606855615 /nfs/dbraw/zinc/85/56/15/606855615.db2.gz LVFNBQSVDJYHOT-VXGBXAGGSA-N 0 1 392.441 0.709 20 0 GCADMN CON(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000821696863 606867315 /nfs/dbraw/zinc/86/73/15/606867315.db2.gz RZRPEGWTQVSWNO-UHFFFAOYSA-N 0 1 393.201 0.964 20 0 GCADMN CC(=O)N1CCC(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1 ZINC000819789636 606884323 /nfs/dbraw/zinc/88/43/23/606884323.db2.gz WKNUUJGWQGVCCX-UHFFFAOYSA-N 0 1 386.384 0.434 20 0 GCADMN C[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)N1CCOCC1 ZINC000820274061 606886131 /nfs/dbraw/zinc/88/61/31/606886131.db2.gz CTNGRZAXFWYCHB-SECBINFHSA-N 0 1 388.400 0.144 20 0 GCADMN C[C@@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Cn1cccn1 ZINC000820275804 606886162 /nfs/dbraw/zinc/88/61/62/606886162.db2.gz RYRQGGUCOYCQFH-VIFPVBQESA-N 0 1 383.384 0.956 20 0 GCADMN O=S(=O)(NCc1nc(C2CC2)no1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823577827 606889208 /nfs/dbraw/zinc/88/92/08/606889208.db2.gz AKJGQZXVKLRFBL-UHFFFAOYSA-N 0 1 383.340 0.884 20 0 GCADMN CCOC(=O)C(C)(C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821315908 606890539 /nfs/dbraw/zinc/89/05/39/606890539.db2.gz ZFFGFBFVXFQVFT-UHFFFAOYSA-N 0 1 375.357 0.765 20 0 GCADMN O=S(=O)(NCCOC[C@@H]1CCOC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578254 606891201 /nfs/dbraw/zinc/89/12/01/606891201.db2.gz KLNVBPMBJMPWBM-SECBINFHSA-N 0 1 389.384 0.476 20 0 GCADMN CCCCOC(=O)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821071317 606892045 /nfs/dbraw/zinc/89/20/45/606892045.db2.gz AVNADXPHADJKCX-UHFFFAOYSA-N 0 1 375.357 0.767 20 0 GCADMN CCCOC(=O)CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821127332 606893392 /nfs/dbraw/zinc/89/33/92/606893392.db2.gz GDESHOZRUSNFHI-UHFFFAOYSA-N 0 1 375.357 0.767 20 0 GCADMN O=C([C@@H]1CCCCN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1 ZINC000822917291 606893820 /nfs/dbraw/zinc/89/38/20/606893820.db2.gz SARNSHLUHXGQFT-DLBZAZTESA-N 0 1 386.456 0.613 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC000821979759 606914856 /nfs/dbraw/zinc/91/48/56/606914856.db2.gz WGYYLYZYRKFPAG-GZMMTYOYSA-N 0 1 391.457 0.853 20 0 GCADMN CCN(C1CCN(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC000821165401 606926612 /nfs/dbraw/zinc/92/66/12/606926612.db2.gz QZJFRNCSIXKIKY-MRXNPFEDSA-N 0 1 394.501 0.646 20 0 GCADMN O=C([C@@H]1CCNC(=O)C1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823519922 607153419 /nfs/dbraw/zinc/15/34/19/607153419.db2.gz JYPQLTIMZWKVKG-MRXNPFEDSA-N 0 1 383.456 0.427 20 0 GCADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1cc(-c2nn[nH]n2)c[nH]1 ZINC000823160917 607172464 /nfs/dbraw/zinc/17/24/64/607172464.db2.gz ILDHKSJZPQHRMX-YOEHRIQHSA-N 0 1 381.440 0.808 20 0 GCADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)NCCc1cccc2cccnc21 ZINC000823123098 607173059 /nfs/dbraw/zinc/17/30/59/607173059.db2.gz NPJZXYMICPURBI-UHFFFAOYSA-N 0 1 375.392 0.936 20 0 GCADMN CC[C@@H]1CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820994984 607175078 /nfs/dbraw/zinc/17/50/78/607175078.db2.gz LTJBQTVEYICWTD-SJLPKXTDSA-N 0 1 399.499 0.526 20 0 GCADMN CC[C@@H]1CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820994955 607175105 /nfs/dbraw/zinc/17/51/05/607175105.db2.gz LTJBQTVEYICWTD-AEFFLSMTSA-N 0 1 399.499 0.526 20 0 GCADMN CC[C@@H]1CN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1N1CCOCC1 ZINC000820995249 607175148 /nfs/dbraw/zinc/17/51/48/607175148.db2.gz OSRFXUPULCLGNH-SJLPKXTDSA-N 0 1 399.499 0.526 20 0 GCADMN CCOc1ccccc1N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000821438338 607205330 /nfs/dbraw/zinc/20/53/30/607205330.db2.gz ZQIMORAGNVEYDO-UHFFFAOYSA-N 0 1 383.416 0.206 20 0 GCADMN Cn1ccnc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC000822694150 607206022 /nfs/dbraw/zinc/20/60/22/607206022.db2.gz XCPIWOAUWVWZMO-CYBMUJFWSA-N 0 1 398.818 0.751 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000823131143 607206194 /nfs/dbraw/zinc/20/61/94/607206194.db2.gz CGTNWTCSBMQOSO-UHFFFAOYSA-N 0 1 381.444 0.761 20 0 GCADMN CNC(=O)c1ccc(CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C2CC2)cc1 ZINC000821634932 607206298 /nfs/dbraw/zinc/20/62/98/607206298.db2.gz BSBJVEGUFOWRBL-UHFFFAOYSA-N 0 1 381.400 0.009 20 0 GCADMN Cn1ccnc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC000822693432 607206612 /nfs/dbraw/zinc/20/66/12/607206612.db2.gz DLDGOJHCFHARLZ-CYBMUJFWSA-N 0 1 382.363 0.237 20 0 GCADMN Cn1ccnc1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1F ZINC000822693433 607206727 /nfs/dbraw/zinc/20/67/27/607206727.db2.gz DLDGOJHCFHARLZ-ZDUSSCGKSA-N 0 1 382.363 0.237 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1C(=O)N1CCCCC1 ZINC000823136400 607206855 /nfs/dbraw/zinc/20/68/55/607206855.db2.gz ZAVHJONELJRGTM-UHFFFAOYSA-N 0 1 381.400 0.723 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000823127220 607207724 /nfs/dbraw/zinc/20/77/24/607207724.db2.gz WWYIBAXGDKNTBF-UHFFFAOYSA-N 0 1 381.444 0.282 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2nc3ccccc3s2)CC1 ZINC000823127268 607207752 /nfs/dbraw/zinc/20/77/52/607207752.db2.gz YGKLVTXBOBDTTD-UHFFFAOYSA-N 0 1 396.440 0.417 20 0 GCADMN CC[NH+](CC)CCOc1ccc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821189512 607208059 /nfs/dbraw/zinc/20/80/59/607208059.db2.gz NLUFOPXQBPTTPI-UHFFFAOYSA-N 0 1 385.432 0.818 20 0 GCADMN C[C@H](Cc1ccc(Br)cc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820292400 607208139 /nfs/dbraw/zinc/20/81/39/607208139.db2.gz FFDCXKAWEVUEHB-SECBINFHSA-N 0 1 391.233 0.968 20 0 GCADMN C[C@@H](Cc1ccc(Br)cc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820292401 607208159 /nfs/dbraw/zinc/20/81/59/607208159.db2.gz FFDCXKAWEVUEHB-VIFPVBQESA-N 0 1 391.233 0.968 20 0 GCADMN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821600586 607209039 /nfs/dbraw/zinc/20/90/39/607209039.db2.gz UEKKQMBQWKDYPV-UHFFFAOYSA-N 0 1 392.427 0.940 20 0 GCADMN COc1cccc(C[NH+]2CCC(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)c1 ZINC000821868671 607209071 /nfs/dbraw/zinc/20/90/71/607209071.db2.gz UOKJDLAIAPQXBY-UHFFFAOYSA-N 0 1 397.443 0.248 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccccc1OCC(F)(F)F ZINC000823131688 607209990 /nfs/dbraw/zinc/20/99/90/607209990.db2.gz LZKWCCBKUPRUID-UHFFFAOYSA-N 0 1 382.306 0.716 20 0 GCADMN CN(C)C(=O)c1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1Cl ZINC000821579920 607210203 /nfs/dbraw/zinc/21/02/03/607210203.db2.gz SCFIGZYCTKTPTF-UHFFFAOYSA-N 0 1 375.780 0.452 20 0 GCADMN CN(Cc1csc(Br)c1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821616933 607210230 /nfs/dbraw/zinc/21/02/30/607210230.db2.gz OSRFYYBKBWTKNP-UHFFFAOYSA-N 0 1 383.235 0.941 20 0 GCADMN Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OC[C@@H]2CCCO2)c1 ZINC000822248618 607210424 /nfs/dbraw/zinc/21/04/24/607210424.db2.gz HFEBPGPHNNCEEW-LBPRGKRZSA-N 0 1 384.400 0.963 20 0 GCADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(N2CCOC2=O)c1 ZINC000820333988 607210991 /nfs/dbraw/zinc/21/09/91/607210991.db2.gz IHVDGCYLKWNGCY-JTQLQIEISA-N 0 1 383.372 0.292 20 0 GCADMN C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821586193 607211487 /nfs/dbraw/zinc/21/14/87/607211487.db2.gz NIJFRLCCWLGSAG-UHFFFAOYSA-N 0 1 389.851 0.702 20 0 GCADMN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821015157 607211999 /nfs/dbraw/zinc/21/19/99/607211999.db2.gz OMZZMJNSSMBUHH-RYUDHWBXSA-N 0 1 375.437 0.002 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000821572253 607212319 /nfs/dbraw/zinc/21/23/19/607212319.db2.gz XMJQLFVTSVSIHD-OAHLLOKOSA-N 0 1 396.390 0.579 20 0 GCADMN COc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1Br ZINC000821798764 607212650 /nfs/dbraw/zinc/21/26/50/607212650.db2.gz MUUXYPNJWOPBOV-UHFFFAOYSA-N 0 1 393.205 0.546 20 0 GCADMN COc1ccc(Br)c(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821770191 607212748 /nfs/dbraw/zinc/21/27/48/607212748.db2.gz QJOLWMIEHSBNLD-UHFFFAOYSA-N 0 1 379.178 0.868 20 0 GCADMN O=C(CC1CCCCC1)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000822940850 607212725 /nfs/dbraw/zinc/21/27/25/607212725.db2.gz HDKHDBJFSSUDBC-UHFFFAOYSA-N 0 1 387.448 0.099 20 0 GCADMN COc1ccc(C2(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)CCOCC2)cc1 ZINC000821782637 607212804 /nfs/dbraw/zinc/21/28/04/607212804.db2.gz ISPAXYRLQDXRAU-UHFFFAOYSA-N 0 1 384.400 0.289 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000823126365 607213319 /nfs/dbraw/zinc/21/33/19/607213319.db2.gz JDRXGRRYZFHNIZ-UHFFFAOYSA-N 0 1 397.399 0.192 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000823136342 607213322 /nfs/dbraw/zinc/21/33/22/607213322.db2.gz WZJFUKUCSIOKAS-UHFFFAOYSA-N 0 1 377.372 0.759 20 0 GCADMN CCOCCCn1c2ccccc2nc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821378823 607213613 /nfs/dbraw/zinc/21/36/13/607213613.db2.gz USJDBYVLTGBBBD-UHFFFAOYSA-N 0 1 396.415 0.873 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000823125687 607213772 /nfs/dbraw/zinc/21/37/72/607213772.db2.gz AXAKDPGWDQMXOM-GFCCVEGCSA-N 0 1 376.327 0.337 20 0 GCADMN COC(=O)c1sc2ccccc2c1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821670978 607214212 /nfs/dbraw/zinc/21/42/12/607214212.db2.gz AJVNGPYQLHNTHE-UHFFFAOYSA-N 0 1 398.408 0.776 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nnc(Cc2ccccc2F)s1 ZINC000823136267 607215804 /nfs/dbraw/zinc/21/58/04/607215804.db2.gz RKHUTJURFQRVEI-UHFFFAOYSA-N 0 1 386.376 0.678 20 0 GCADMN CCc1ccc2c(c1)[C@H](CCNC(=O)Cn1cnc(-c3nn[nH]n3)n1)C(=O)N2 ZINC000821486808 607215993 /nfs/dbraw/zinc/21/59/93/607215993.db2.gz MJNOYLXTMYNATH-NSHDSACASA-N 0 1 381.400 0.263 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000823127141 607217348 /nfs/dbraw/zinc/21/73/48/607217348.db2.gz USKOPZYMKFGCRU-UHFFFAOYSA-N 0 1 391.505 0.326 20 0 GCADMN COc1cc(F)c([C@@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OC ZINC000821719727 607217709 /nfs/dbraw/zinc/21/77/09/607217709.db2.gz IMCCMIACBBQKLG-MRVPVSSYSA-N 0 1 376.352 0.492 20 0 GCADMN COC[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000821682826 607218034 /nfs/dbraw/zinc/21/80/34/607218034.db2.gz OKFFMCHCIISOEP-NSHDSACASA-N 0 1 396.333 0.981 20 0 GCADMN CCCS(=O)(=O)Nc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821138897 607218143 /nfs/dbraw/zinc/21/81/43/607218143.db2.gz JQABGDJDELKWSG-UHFFFAOYSA-N 0 1 391.417 0.249 20 0 GCADMN C[C@H]1C[C@H](N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655717 607218191 /nfs/dbraw/zinc/21/81/91/607218191.db2.gz BIKMVUQGBCAUTL-GOEBONIOSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@H]1C[C@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655717 607218192 /nfs/dbraw/zinc/21/81/92/607218192.db2.gz BIKMVUQGBCAUTL-GOEBONIOSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@H]1C[C@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655717 607218193 /nfs/dbraw/zinc/21/81/93/607218193.db2.gz BIKMVUQGBCAUTL-GOEBONIOSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@@H]1C[C@@H](N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655720 607218203 /nfs/dbraw/zinc/21/82/03/607218203.db2.gz BIKMVUQGBCAUTL-ZBFHGGJFSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@@H]1C[C@@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655720 607218204 /nfs/dbraw/zinc/21/82/04/607218204.db2.gz BIKMVUQGBCAUTL-ZBFHGGJFSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@@H]1C[C@@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655720 607218205 /nfs/dbraw/zinc/21/82/05/607218205.db2.gz BIKMVUQGBCAUTL-ZBFHGGJFSA-N 0 1 395.471 0.970 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2cccc(Br)c2C1 ZINC000823126918 607218464 /nfs/dbraw/zinc/21/84/64/607218464.db2.gz NRXLABNBMRMFCO-UHFFFAOYSA-N 0 1 389.217 0.806 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1CCN(C(=O)c2ccccc2)CC1 ZINC000823127101 607219000 /nfs/dbraw/zinc/21/90/00/607219000.db2.gz STZSYYXFTYCMAW-UHFFFAOYSA-N 0 1 395.427 0.127 20 0 GCADMN COc1ccc(C[C@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)cc1 ZINC000821791035 607219540 /nfs/dbraw/zinc/21/95/40/607219540.db2.gz ZOBSXXFEKMPHQI-CQSZACIVSA-N 0 1 382.428 0.948 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000823136350 607219881 /nfs/dbraw/zinc/21/98/81/607219881.db2.gz XHJJVFXCOPRFGR-UHFFFAOYSA-N 0 1 396.350 0.089 20 0 GCADMN CC(C)(C)OC(=O)Cc1cccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000819928423 607219928 /nfs/dbraw/zinc/21/99/28/607219928.db2.gz OTTDVZLWWXLHHO-UHFFFAOYSA-N 0 1 384.400 0.981 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000823126054 607221342 /nfs/dbraw/zinc/22/13/42/607221342.db2.gz GOGLVAAYDPSYLV-ZDUSSCGKSA-N 0 1 382.306 0.025 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1nccn1CCCc1ccccc1 ZINC000823131081 607222438 /nfs/dbraw/zinc/22/24/38/607222438.db2.gz BXGOUDNDEGXPHC-UHFFFAOYSA-N 0 1 392.427 0.604 20 0 GCADMN CCOC(=O)c1sc([C@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)nc1C ZINC000821346953 607222757 /nfs/dbraw/zinc/22/27/57/607222757.db2.gz RYQGLQYXJSISIR-QMMMGPOBSA-N 0 1 391.417 0.277 20 0 GCADMN CCS[C@H](C)c1noc(CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000821448191 607224266 /nfs/dbraw/zinc/22/42/66/607224266.db2.gz MAAINAUFWWDQQR-MRVPVSSYSA-N 0 1 378.422 0.314 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000823125708 607224327 /nfs/dbraw/zinc/22/43/27/607224327.db2.gz BSPKHWHKNLDNLD-JTQLQIEISA-N 0 1 382.306 0.327 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000823127212 607224638 /nfs/dbraw/zinc/22/46/38/607224638.db2.gz WQVRLFBCPRLOHC-VIFPVBQESA-N 0 1 383.199 0.615 20 0 GCADMN Cc1nn(C)c(C)c1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC000822487070 607239296 /nfs/dbraw/zinc/23/92/96/607239296.db2.gz ZVXLLDCOQRIMIQ-JTQLQIEISA-N 0 1 384.326 0.228 20 0 GCADMN O=C1[C@H](N2CCC(Cn3ccnn3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477150 607801873 /nfs/dbraw/zinc/80/18/73/607801873.db2.gz WPDXZUYWWYXRQR-QGZVFWFLSA-N 0 1 393.455 0.976 20 0 GCADMN O=S(=O)(CCN1CCC(c2nc[nH]n2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484396 607828942 /nfs/dbraw/zinc/82/89/42/607828942.db2.gz BGHSGRSVDDXTMU-UHFFFAOYSA-N 0 1 388.457 0.638 20 0 GCADMN CCn1nc2c(cc1=O)CN(Cc1cccc(C(=O)OC)c1-c1nn[nH]n1)CC2 ZINC000825806767 607923520 /nfs/dbraw/zinc/92/35/20/607923520.db2.gz CSFIXWSZTLQDRW-UHFFFAOYSA-N 0 1 395.423 0.788 20 0 GCADMN Cn1c(=O)cccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826354926 607933051 /nfs/dbraw/zinc/93/30/51/607933051.db2.gz BTLQPXOKOOYJTN-UHFFFAOYSA-N 0 1 396.411 0.393 20 0 GCADMN Cn1c(=O)c(-c2nnn[n-]2)c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n(C)c1=O ZINC000826029378 607968319 /nfs/dbraw/zinc/96/83/19/607968319.db2.gz RQRFICPNDRFIDH-GXTWGEPZSA-N 0 1 382.428 0.121 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n(C)c1=O ZINC000826029378 607968320 /nfs/dbraw/zinc/96/83/20/607968320.db2.gz RQRFICPNDRFIDH-GXTWGEPZSA-N 0 1 382.428 0.121 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n(C)c1=O ZINC000826029378 607968321 /nfs/dbraw/zinc/96/83/21/607968321.db2.gz RQRFICPNDRFIDH-GXTWGEPZSA-N 0 1 382.428 0.121 20 0 GCADMN Cc1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)ncn1 ZINC000826258614 607972373 /nfs/dbraw/zinc/97/23/73/607972373.db2.gz PNVLDESLALVXSR-UHFFFAOYSA-N 0 1 381.400 0.793 20 0 GCADMN CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826227849 608000890 /nfs/dbraw/zinc/00/08/90/608000890.db2.gz YPIVWWJIDKUGGM-LHLIQPBNSA-N 0 1 379.414 0.536 20 0 GCADMN COC(=O)C1=C(C)O[C@@H](CN2CCN(c3ncccc3-c3nn[nH]n3)CC2)C1 ZINC000826129729 608003886 /nfs/dbraw/zinc/00/38/86/608003886.db2.gz ZDLYDSHOPVSHLE-CYBMUJFWSA-N 0 1 385.428 0.620 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000826425501 608006400 /nfs/dbraw/zinc/00/64/00/608006400.db2.gz HBTOTATXPPBCML-UHFFFAOYSA-N 0 1 388.355 0.226 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826073046 608020234 /nfs/dbraw/zinc/02/02/34/608020234.db2.gz BNNWBYBUOXZNKO-RYUDHWBXSA-N 0 1 392.464 0.655 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826073046 608020235 /nfs/dbraw/zinc/02/02/35/608020235.db2.gz BNNWBYBUOXZNKO-RYUDHWBXSA-N 0 1 392.464 0.655 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)COCCc2ccccc2)c1-c1nnn[n-]1 ZINC000826077644 608020422 /nfs/dbraw/zinc/02/04/22/608020422.db2.gz PDTRRWGERVHHPH-UHFFFAOYSA-N 0 1 384.444 0.940 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)COCCc2ccccc2)c1-c1nn[n-]n1 ZINC000826077644 608020423 /nfs/dbraw/zinc/02/04/23/608020423.db2.gz PDTRRWGERVHHPH-UHFFFAOYSA-N 0 1 384.444 0.940 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)c1-c1nnn[n-]1 ZINC000826073286 608021708 /nfs/dbraw/zinc/02/17/08/608021708.db2.gz MVQVAAFOJJEJQN-CQSZACIVSA-N 0 1 389.464 0.327 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C(C)C)N2CCCC2=O)c1-c1nn[n-]n1 ZINC000826073286 608021709 /nfs/dbraw/zinc/02/17/09/608021709.db2.gz MVQVAAFOJJEJQN-CQSZACIVSA-N 0 1 389.464 0.327 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2OCCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077082 608021759 /nfs/dbraw/zinc/02/17/59/608021759.db2.gz AAAVTJSPNVWVDJ-HNNXBMFYSA-N 0 1 382.428 0.994 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2OCCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077082 608021760 /nfs/dbraw/zinc/02/17/60/608021760.db2.gz AAAVTJSPNVWVDJ-HNNXBMFYSA-N 0 1 382.428 0.994 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](CC(C)C)NC(=O)OC)c1-c1nnn[n-]1 ZINC000826073530 608021839 /nfs/dbraw/zinc/02/18/39/608021839.db2.gz WHHWZYAFXVVFMV-LLVKDONJSA-N 0 1 393.452 0.451 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](CC(C)C)NC(=O)OC)c1-c1nn[n-]n1 ZINC000826073530 608021840 /nfs/dbraw/zinc/02/18/40/608021840.db2.gz WHHWZYAFXVVFMV-LLVKDONJSA-N 0 1 393.452 0.451 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(CCC(C)C)nn2)c1-c1nnn[n-]1 ZINC000826083558 608022306 /nfs/dbraw/zinc/02/23/06/608022306.db2.gz MXHYGLWAZVFUGV-UHFFFAOYSA-N 0 1 387.452 0.632 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cn(CCC(C)C)nn2)c1-c1nn[n-]n1 ZINC000826083558 608022307 /nfs/dbraw/zinc/02/23/07/608022307.db2.gz MXHYGLWAZVFUGV-UHFFFAOYSA-N 0 1 387.452 0.632 20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC(S(N)(=O)=O)CC1 ZINC000826176027 608040255 /nfs/dbraw/zinc/04/02/55/608040255.db2.gz YEMACCGJPLBZJL-UHFFFAOYSA-N 0 1 382.446 0.007 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCC[C@H]3C(F)F)CC2)o1 ZINC000826322818 608044912 /nfs/dbraw/zinc/04/49/12/608044912.db2.gz CPVPOTOMHAUPRM-NSHDSACASA-N 0 1 396.402 0.541 20 0 GCADMN COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000826187707 608087736 /nfs/dbraw/zinc/08/77/36/608087736.db2.gz BZLJIUGWHDJCGR-KBXCAEBGSA-N 0 1 398.427 0.366 20 0 GCADMN CN1CCN(c2ccccc2NC[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000826045437 608112403 /nfs/dbraw/zinc/11/24/03/608112403.db2.gz VYPUPVQQNPFMNO-CQSZACIVSA-N 0 1 394.487 0.969 20 0 GCADMN C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825020478 608114650 /nfs/dbraw/zinc/11/46/50/608114650.db2.gz KDRWROQAUXISOO-CMPLNLGQSA-N 0 1 388.432 0.741 20 0 GCADMN CN(CCC(=O)Nc1ccccc1-c1nn[nH]n1)CC(C)(C)S(C)(=O)=O ZINC000825914447 608168787 /nfs/dbraw/zinc/16/87/87/608168787.db2.gz FTNZWGUTJAIPDA-UHFFFAOYSA-N 0 1 380.474 0.950 20 0 GCADMN O=C(CN1CCCC[C@@H]1[C@H]1CNC(=O)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826478429 608169858 /nfs/dbraw/zinc/16/98/58/608169858.db2.gz BIUSKIWFEGQQNK-ZYHUDNBSSA-N 0 1 375.458 0.857 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCCC3(C2)OCCO3)cc1-c1nn[nH]n1 ZINC000826229837 608195472 /nfs/dbraw/zinc/19/54/72/608195472.db2.gz TWTCYRNIVOUVFW-UHFFFAOYSA-N 0 1 378.414 0.668 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1-c1nn[n-]n1 ZINC000826229634 608205736 /nfs/dbraw/zinc/20/57/36/608205736.db2.gz LHPVBMGRLCBIDQ-MNOVXSKESA-N 0 1 395.514 0.807 20 0 GCADMN CCNS(=O)(=O)[C@@H]1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000825476403 608210561 /nfs/dbraw/zinc/21/05/61/608210561.db2.gz JAXCSXNEXRVFII-SNVBAGLBSA-N 0 1 399.502 0.270 20 0 GCADMN C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC000824039195 608212244 /nfs/dbraw/zinc/21/22/44/608212244.db2.gz CODKTUSGMJOGKX-LBPRGKRZSA-N 0 1 375.481 0.828 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000826425331 608250792 /nfs/dbraw/zinc/25/07/92/608250792.db2.gz YJQFWQKGJUEKAH-HNNXBMFYSA-N 0 1 379.359 0.898 20 0 GCADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCCN(CC(F)F)CC1 ZINC000826504416 608322943 /nfs/dbraw/zinc/32/29/43/608322943.db2.gz VNXBVUOIVUXKIN-AWEZNQCLSA-N 0 1 382.415 0.879 20 0 GCADMN CC[NH+](CC)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825413071 608338904 /nfs/dbraw/zinc/33/89/04/608338904.db2.gz XDKWVWVOFFNKJV-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN CC[NH+](CC)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825413071 608338906 /nfs/dbraw/zinc/33/89/06/608338906.db2.gz XDKWVWVOFFNKJV-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000824882373 608354981 /nfs/dbraw/zinc/35/49/81/608354981.db2.gz AQDFDNLMEYVKRT-WDEREUQCSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000824882373 608354983 /nfs/dbraw/zinc/35/49/83/608354983.db2.gz AQDFDNLMEYVKRT-WDEREUQCSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000824882373 608354985 /nfs/dbraw/zinc/35/49/85/608354985.db2.gz AQDFDNLMEYVKRT-WDEREUQCSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000824882373 608354988 /nfs/dbraw/zinc/35/49/88/608354988.db2.gz AQDFDNLMEYVKRT-WDEREUQCSA-N 0 1 389.464 0.356 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(C(=O)OC)c2)c1-c1nnn[n-]1 ZINC000826084278 608355564 /nfs/dbraw/zinc/35/55/64/608355564.db2.gz XNRPKVFBLDNWAF-UHFFFAOYSA-N 0 1 385.388 0.176 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cncc(C(=O)OC)c2)c1-c1nn[n-]n1 ZINC000826084278 608355567 /nfs/dbraw/zinc/35/55/67/608355567.db2.gz XNRPKVFBLDNWAF-UHFFFAOYSA-N 0 1 385.388 0.176 20 0 GCADMN C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000824967645 608355815 /nfs/dbraw/zinc/35/58/15/608355815.db2.gz LXSBAFQBTKDPTN-PWSUYJOCSA-N 0 1 389.464 0.165 20 0 GCADMN C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000824967645 608355817 /nfs/dbraw/zinc/35/58/17/608355817.db2.gz LXSBAFQBTKDPTN-PWSUYJOCSA-N 0 1 389.464 0.165 20 0 GCADMN C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@@H]1[NH+](C)C ZINC000824967644 608356181 /nfs/dbraw/zinc/35/61/81/608356181.db2.gz LXSBAFQBTKDPTN-JQWIXIFHSA-N 0 1 389.464 0.165 20 0 GCADMN C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@@H]1[NH+](C)C ZINC000824967644 608356183 /nfs/dbraw/zinc/35/61/83/608356183.db2.gz LXSBAFQBTKDPTN-JQWIXIFHSA-N 0 1 389.464 0.165 20 0 GCADMN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)NCCc1nc[nH]n1 ZINC000824319458 608361063 /nfs/dbraw/zinc/36/10/63/608361063.db2.gz RERRBORVIXQYBB-UHFFFAOYSA-N 0 1 385.388 0.069 20 0 GCADMN Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(C)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000826322606 608363453 /nfs/dbraw/zinc/36/34/53/608363453.db2.gz UFNRDZQIAMFEHI-LBPRGKRZSA-N 0 1 397.399 0.140 20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000826169297 608372256 /nfs/dbraw/zinc/37/22/56/608372256.db2.gz NQZHBDLUDGJIPV-GOSISDBHSA-N 0 1 385.428 0.780 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](C)C3)CC2)o1 ZINC000826323158 608377777 /nfs/dbraw/zinc/37/77/77/608377777.db2.gz SKGAAZSGSKXMEM-STQMWFEESA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@@H](C)C3)CC2)o1 ZINC000826323158 608377784 /nfs/dbraw/zinc/37/77/84/608377784.db2.gz SKGAAZSGSKXMEM-STQMWFEESA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](C)C3)CC2)o1 ZINC000826323158 608377786 /nfs/dbraw/zinc/37/77/86/608377786.db2.gz SKGAAZSGSKXMEM-STQMWFEESA-N 0 1 388.476 0.790 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000826424906 608385884 /nfs/dbraw/zinc/38/58/84/608385884.db2.gz HXRYHUDWZGEBQN-MRXNPFEDSA-N 0 1 388.819 0.318 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1N(C)C ZINC000826227421 608443481 /nfs/dbraw/zinc/44/34/81/608443481.db2.gz QWBRDSGXRUATAV-NWDGAFQWSA-N 0 1 386.478 0.672 20 0 GCADMN C[C@@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553871 608463809 /nfs/dbraw/zinc/46/38/09/608463809.db2.gz JONUODVEIYJAAW-CYBMUJFWSA-N 0 1 383.456 0.598 20 0 GCADMN CC(C)[NH+]1CCN(c2cccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)c2)CC1 ZINC000824300035 608474976 /nfs/dbraw/zinc/47/49/76/608474976.db2.gz AARQJWISOPUEER-UHFFFAOYSA-N 0 1 396.459 0.627 20 0 GCADMN C[C@H](N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000824532863 608481374 /nfs/dbraw/zinc/48/13/74/608481374.db2.gz XKPKISJMDVTDQS-MJVIPROJSA-N 0 1 378.458 0.209 20 0 GCADMN CCn1c(N)c(C(=O)CN[C@@H](C)c2cccc(-c3nn[nH]n3)c2)c(=O)[nH]c1=O ZINC000825788618 608485243 /nfs/dbraw/zinc/48/52/43/608485243.db2.gz SKBQXJRJBLXPSZ-VIFPVBQESA-N 0 1 384.400 0.265 20 0 GCADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCN(C(=O)C2CC2)CC1 ZINC000826412099 608531742 /nfs/dbraw/zinc/53/17/42/608531742.db2.gz BHYKBAVBPFZGOT-UHFFFAOYSA-N 0 1 395.467 0.526 20 0 GCADMN COCCCOCC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826156756 608581051 /nfs/dbraw/zinc/58/10/51/608581051.db2.gz SBZVFEKELUVRDA-UHFFFAOYSA-N 0 1 388.472 0.954 20 0 GCADMN O=C(CCc1nc[nH]n1)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826409997 608606506 /nfs/dbraw/zinc/60/65/06/608606506.db2.gz 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C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001571265233 945505438 /nfs/dbraw/zinc/50/54/38/945505438.db2.gz DAKRSVGRUZQVOA-ZIAGYGMSSA-N 0 1 385.476 0.213 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571265321 945506643 /nfs/dbraw/zinc/50/66/43/945506643.db2.gz HCUFOJBBTYMHJZ-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)CC2)C1 ZINC001571265321 945506651 /nfs/dbraw/zinc/50/66/51/945506651.db2.gz HCUFOJBBTYMHJZ-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571265321 945506658 /nfs/dbraw/zinc/50/66/58/945506658.db2.gz HCUFOJBBTYMHJZ-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001571265321 945506665 /nfs/dbraw/zinc/50/66/65/945506665.db2.gz HCUFOJBBTYMHJZ-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265281 945506942 /nfs/dbraw/zinc/50/69/42/945506942.db2.gz FWUYKCMTXCOYOB-AWEZNQCLSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265281 945506948 /nfs/dbraw/zinc/50/69/48/945506948.db2.gz FWUYKCMTXCOYOB-AWEZNQCLSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571265281 945506955 /nfs/dbraw/zinc/50/69/55/945506955.db2.gz FWUYKCMTXCOYOB-AWEZNQCLSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571265281 945506962 /nfs/dbraw/zinc/50/69/62/945506962.db2.gz FWUYKCMTXCOYOB-AWEZNQCLSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265463 945510606 /nfs/dbraw/zinc/51/06/06/945510606.db2.gz KLNPIZBAKMEYJY-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265463 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0.649 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[nH]n3)n2)CC[N@H+]1C ZINC001571265835 945520266 /nfs/dbraw/zinc/52/02/66/945520266.db2.gz QJJWQFDGOLEWQK-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC[N@@H+]1C ZINC001571265835 945520272 /nfs/dbraw/zinc/52/02/72/945520272.db2.gz QJJWQFDGOLEWQK-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001571265835 945520275 /nfs/dbraw/zinc/52/02/75/945520275.db2.gz QJJWQFDGOLEWQK-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001571265835 945520276 /nfs/dbraw/zinc/52/02/76/945520276.db2.gz QJJWQFDGOLEWQK-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2cncc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001571265835 945520278 /nfs/dbraw/zinc/52/02/78/945520278.db2.gz QJJWQFDGOLEWQK-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265914 945522933 /nfs/dbraw/zinc/52/29/33/945522933.db2.gz KUVZKOJDBGGVFI-SSDMNJCBSA-N 0 1 385.476 0.838 20 0 GCADMN CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265914 945522937 /nfs/dbraw/zinc/52/29/37/945522937.db2.gz KUVZKOJDBGGVFI-SSDMNJCBSA-N 0 1 385.476 0.838 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001571265869 945524569 /nfs/dbraw/zinc/52/45/69/945524569.db2.gz QYZHZUBFMPNJLZ-CYBMUJFWSA-N 0 1 385.476 0.344 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001571265869 945524577 /nfs/dbraw/zinc/52/45/77/945524577.db2.gz QYZHZUBFMPNJLZ-CYBMUJFWSA-N 0 1 385.476 0.344 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001571265869 945524585 /nfs/dbraw/zinc/52/45/85/945524585.db2.gz QYZHZUBFMPNJLZ-CYBMUJFWSA-N 0 1 385.476 0.344 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001571265869 945524586 /nfs/dbraw/zinc/52/45/86/945524586.db2.gz QYZHZUBFMPNJLZ-CYBMUJFWSA-N 0 1 385.476 0.344 20 0 GCADMN CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)[NH+](C)C ZINC001571265906 945525199 /nfs/dbraw/zinc/52/51/99/945525199.db2.gz KRZGKAPLUXPIDV-ILXRZTDVSA-N 0 1 385.476 0.567 20 0 GCADMN C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265929 945525768 /nfs/dbraw/zinc/52/57/68/945525768.db2.gz LBOKRUVRCVZBHS-XUXIUFHCSA-N 0 1 385.476 0.836 20 0 GCADMN C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265929 945525770 /nfs/dbraw/zinc/52/57/70/945525770.db2.gz LBOKRUVRCVZBHS-XUXIUFHCSA-N 0 1 385.476 0.836 20 0 GCADMN C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001571265942 945525853 /nfs/dbraw/zinc/52/58/53/945525853.db2.gz LHVRATBNFYFMKD-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001571265942 945525858 /nfs/dbraw/zinc/52/58/58/945525858.db2.gz LHVRATBNFYFMKD-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001571265941 945527366 /nfs/dbraw/zinc/52/73/66/945527366.db2.gz LHVRATBNFYFMKD-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001571265941 945527374 /nfs/dbraw/zinc/52/73/74/945527374.db2.gz LHVRATBNFYFMKD-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571265961 945527390 /nfs/dbraw/zinc/52/73/90/945527390.db2.gz LTMYWPZQYDQQDW-JSGCOSHPSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571265961 945527394 /nfs/dbraw/zinc/52/73/94/945527394.db2.gz LTMYWPZQYDQQDW-JSGCOSHPSA-N 0 1 385.476 0.472 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266173 945532807 /nfs/dbraw/zinc/53/28/07/945532807.db2.gz NCWLLVBJIYXRDG-ZFWWWQNUSA-N 0 1 385.476 0.568 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266173 945532817 /nfs/dbraw/zinc/53/28/17/945532817.db2.gz NCWLLVBJIYXRDG-ZFWWWQNUSA-N 0 1 385.476 0.568 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266183 945533705 /nfs/dbraw/zinc/53/37/05/945533705.db2.gz NFECBUYANTWWFP-DZGCQCFKSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266183 945533714 /nfs/dbraw/zinc/53/37/14/945533714.db2.gz NFECBUYANTWWFP-DZGCQCFKSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266183 945533723 /nfs/dbraw/zinc/53/37/23/945533723.db2.gz NFECBUYANTWWFP-DZGCQCFKSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266183 945533728 /nfs/dbraw/zinc/53/37/28/945533728.db2.gz NFECBUYANTWWFP-DZGCQCFKSA-N 0 1 385.476 0.790 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266303 945537262 /nfs/dbraw/zinc/53/72/62/945537262.db2.gz YXQCOZGMSZVXLP-ZIAGYGMSSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266303 945537265 /nfs/dbraw/zinc/53/72/65/945537265.db2.gz YXQCOZGMSZVXLP-ZIAGYGMSSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266303 945537268 /nfs/dbraw/zinc/53/72/68/945537268.db2.gz YXQCOZGMSZVXLP-ZIAGYGMSSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266303 945537271 /nfs/dbraw/zinc/53/72/71/945537271.db2.gz YXQCOZGMSZVXLP-ZIAGYGMSSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001571266247 945537494 /nfs/dbraw/zinc/53/74/94/945537494.db2.gz YJGMEJANFLBDNV-UKRRQHHQSA-N 0 1 385.476 0.852 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001571266247 945537501 /nfs/dbraw/zinc/53/75/01/945537501.db2.gz YJGMEJANFLBDNV-UKRRQHHQSA-N 0 1 385.476 0.852 20 0 GCADMN CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571266504 945544156 /nfs/dbraw/zinc/54/41/56/945544156.db2.gz SGUXJUHERADCLJ-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001571266620 945546754 /nfs/dbraw/zinc/54/67/54/945546754.db2.gz VJXIZNABQFEHBE-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001571266620 945546757 /nfs/dbraw/zinc/54/67/57/945546757.db2.gz VJXIZNABQFEHBE-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571266597 945546879 /nfs/dbraw/zinc/54/68/79/945546879.db2.gz UZAQCPZLAINFEY-OAHLLOKOSA-N 0 1 385.476 0.570 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571266597 945546883 /nfs/dbraw/zinc/54/68/83/945546883.db2.gz UZAQCPZLAINFEY-OAHLLOKOSA-N 0 1 385.476 0.570 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571266682 945548997 /nfs/dbraw/zinc/54/89/97/945548997.db2.gz WNMWUCNANNSKIH-UONOGXRCSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001571266691 945549485 /nfs/dbraw/zinc/54/94/85/945549485.db2.gz WQRLAFHTQIGATQ-ZIAGYGMSSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571266691 945549492 /nfs/dbraw/zinc/54/94/92/945549492.db2.gz WQRLAFHTQIGATQ-ZIAGYGMSSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571266691 945549499 /nfs/dbraw/zinc/54/94/99/945549499.db2.gz WQRLAFHTQIGATQ-ZIAGYGMSSA-N 0 1 385.476 0.615 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571266795 945551361 /nfs/dbraw/zinc/55/13/61/945551361.db2.gz ZJJPSCXATRGLGA-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571266795 945551367 /nfs/dbraw/zinc/55/13/67/945551367.db2.gz ZJJPSCXATRGLGA-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN Cc1cc(NC2CCN(C(=O)C[C@](C)(O)C3CC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266797 945552821 /nfs/dbraw/zinc/55/28/21/945552821.db2.gz ZJKFHQNDKWDDIM-IBGZPJMESA-N 0 1 385.472 0.946 20 0 GCADMN C[C@H]1CN(C(=O)c2ccc(F)c(F)c2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571266853 945554320 /nfs/dbraw/zinc/55/43/20/945554320.db2.gz AJFCSCARGLJLNG-TVQRCGJNSA-N 0 1 386.366 0.929 20 0 GCADMN C[C@H]1CN(C(=O)c2c(F)cncc2F)C[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571267251 945564663 /nfs/dbraw/zinc/56/46/63/945564663.db2.gz NUJJTCBETLGMMG-XPTSAGLGSA-N 0 1 386.366 0.929 20 0 GCADMN O=C(NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1ncc(F)cc1F ZINC001571267565 945573820 /nfs/dbraw/zinc/57/38/20/945573820.db2.gz YRYHEIXXYPKANE-UHFFFAOYSA-N 0 1 386.366 0.977 20 0 GCADMN O=C(N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1ncc(F)cc1F ZINC001571267564 945573878 /nfs/dbraw/zinc/57/38/78/945573878.db2.gz YRYHEIXXYPKANE-HOMQSWHASA-N 0 1 386.366 0.977 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2n[nH]cc2F)CC1 ZINC001571268245 945592462 /nfs/dbraw/zinc/59/24/62/945592462.db2.gz PKZQMVJCAUIYAP-UHFFFAOYSA-N 0 1 386.395 0.438 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCc3n[nH]c(=O)cc3C2)cc1-c1nn[nH]n1 ZINC001571268506 945598647 /nfs/dbraw/zinc/59/86/47/945598647.db2.gz UQFBWUJYOCIFPG-UHFFFAOYSA-N 0 1 386.397 0.383 20 0 GCADMN C[C@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(F)c(-c5nn[nH]n5)c4)C[C@H]32)CCOC1 ZINC001571268734 945603617 /nfs/dbraw/zinc/60/36/17/945603617.db2.gz JCGLHVZBDQENLS-ZDXGLAPJSA-N 0 1 386.431 0.979 20 0 GCADMN C[C@@H]1CO[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(-c5nn[nH]n5)c(F)c4)C[C@H]32)C1 ZINC001571269477 945620918 /nfs/dbraw/zinc/62/09/18/945620918.db2.gz ZKZTVOHEAVCUQJ-LVPNJAMISA-N 0 1 386.431 0.977 20 0 GCADMN Cc1cscc1C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571269609 945621898 /nfs/dbraw/zinc/62/18/98/945621898.db2.gz AAGGJEBGKAILBK-NSHDSACASA-N 0 1 386.441 0.402 20 0 GCADMN O=C(N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cn[nH]c(=O)c1 ZINC001571270093 945631735 /nfs/dbraw/zinc/63/17/35/945631735.db2.gz MWLOPUGJEZPSBH-NSHDSACASA-N 0 1 386.441 0.818 20 0 GCADMN O=C(c1c[nH]c(=O)cn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571270260 945632621 /nfs/dbraw/zinc/63/26/21/945632621.db2.gz OLOMSSJTGJXVRM-SNVBAGLBSA-N 0 1 386.441 0.263 20 0 GCADMN O=C(c1c[nH]c(=O)cn1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571270260 945632626 /nfs/dbraw/zinc/63/26/26/945632626.db2.gz OLOMSSJTGJXVRM-SNVBAGLBSA-N 0 1 386.441 0.263 20 0 GCADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)c1c[nH]c(=O)cn1 ZINC001571270338 945634534 /nfs/dbraw/zinc/63/45/34/945634534.db2.gz QORWDFCVDUXWFU-UWVGGRQHSA-N 0 1 386.441 0.404 20 0 GCADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)c1c[nH]c(=O)cn1 ZINC001571270338 945634538 /nfs/dbraw/zinc/63/45/38/945634538.db2.gz QORWDFCVDUXWFU-UWVGGRQHSA-N 0 1 386.441 0.404 20 0 GCADMN C[C@H]1CN(C(=O)c2cnsn2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571270685 945641265 /nfs/dbraw/zinc/64/12/65/945641265.db2.gz YWJQLHCXIRGCCO-VHSXEESVSA-N 0 1 386.445 0.140 20 0 GCADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)Cc1cnn(C)c1 ZINC001571271817 945650451 /nfs/dbraw/zinc/65/04/51/945650451.db2.gz KLMGIWZCZTWOOW-AAEUAGOBSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)Cc1cnn(C)c1 ZINC001571271817 945650456 /nfs/dbraw/zinc/65/04/56/945650456.db2.gz KLMGIWZCZTWOOW-AAEUAGOBSA-N 0 1 386.485 0.983 20 0 GCADMN Cc1nn(C)cc1CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272091 945656025 /nfs/dbraw/zinc/65/60/25/945656025.db2.gz PCKKGWCBGSWXPZ-ZDUSSCGKSA-N 0 1 386.485 0.903 20 0 GCADMN CN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571272235 945658618 /nfs/dbraw/zinc/65/86/18/945658618.db2.gz BOYLNSZGXWNLAD-NFAWXSAZSA-N 0 1 386.460 0.446 20 0 GCADMN CN1CCCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571272394 945661329 /nfs/dbraw/zinc/66/13/29/945661329.db2.gz CWMXFFCXSCWPJA-HIFRSBDPSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)Cc1cncn1C ZINC001571272490 945664303 /nfs/dbraw/zinc/66/43/03/945664303.db2.gz UQUZFQIPAMLSIJ-RYUDHWBXSA-N 0 1 386.485 0.983 20 0 GCADMN O=C(N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCCO1 ZINC001571272633 945668077 /nfs/dbraw/zinc/66/80/77/945668077.db2.gz GQORAUKCCDQKGY-IHRRRGAJSA-N 0 1 386.460 0.735 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)COC2CCCC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571272812 945671288 /nfs/dbraw/zinc/67/12/88/945671288.db2.gz ITIJIAPGYQPQCO-ZDUSSCGKSA-N 0 1 386.460 0.901 20 0 GCADMN CO[C@H]1CCC[C@H](C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571272952 945676336 /nfs/dbraw/zinc/67/63/36/945676336.db2.gz LOJMIVWQIDKVIV-JSGCOSHPSA-N 0 1 386.460 0.687 20 0 GCADMN CN(c1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)[C@@H]2CCCOCC2)CC1 ZINC001571273102 945679303 /nfs/dbraw/zinc/67/93/03/945679303.db2.gz PGKRRDWBRUMIIK-CYBMUJFWSA-N 0 1 386.460 0.901 20 0 GCADMN CN(C(=O)C[C@@H]1CC(C)(C)CO1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571273155 945680224 /nfs/dbraw/zinc/68/02/24/945680224.db2.gz QTCJZJYFXLDVOG-CHWSQXEVSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC[N@H+]1C ZINC001571273230 945682254 /nfs/dbraw/zinc/68/22/54/945682254.db2.gz SXIRVAJYTDDKPT-MHDGFBEUSA-N 0 1 386.460 0.160 20 0 GCADMN CNC(=O)CN1CCC[C@@H]2[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)[C@H]21 ZINC001571273266 945683127 /nfs/dbraw/zinc/68/31/27/945683127.db2.gz UGSHCDGCMABTNN-UGFHNGPFSA-N 0 1 386.460 0.160 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@@H]1CCCNC1=O ZINC001571273364 945685363 /nfs/dbraw/zinc/68/53/63/945685363.db2.gz WEJOIIQZFLGXMJ-UKRRQHHQSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CN1C(=O)C1=NC(=O)N(C)C1 ZINC001571274274 945694235 /nfs/dbraw/zinc/69/42/35/945694235.db2.gz DFLWKFUMXNRVAF-PSASIEDQSA-N 0 1 387.379 0.555 20 0 GCADMN C[C@H]1C[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CN1C(=O)C1=NC(=O)N(C)C1 ZINC001571274277 945694405 /nfs/dbraw/zinc/69/44/05/945694405.db2.gz DFLWKFUMXNRVAF-WPRPVWTQSA-N 0 1 387.379 0.555 20 0 GCADMN C[C@H]1C[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CN1C(=O)C1=NC(=O)N(C)C1 ZINC001571274276 945695584 /nfs/dbraw/zinc/69/55/84/945695584.db2.gz DFLWKFUMXNRVAF-WCBMZHEXSA-N 0 1 387.379 0.555 20 0 GCADMN O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1c(F)cncc1F ZINC001571275359 945705026 /nfs/dbraw/zinc/70/50/26/945705026.db2.gz SMONSMQFNANIAO-KYZUINATSA-N 0 1 387.354 0.372 20 0 GCADMN CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CCN(CCN2CCCC2=O)C1 ZINC001571275790 945716269 /nfs/dbraw/zinc/71/62/69/945716269.db2.gz CJPLRHIWIWHVCX-CQSZACIVSA-N 0 1 386.460 0.354 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CN(C(=O)CCC2CCC2)CCO1 ZINC001571275947 945719822 /nfs/dbraw/zinc/71/98/22/945719822.db2.gz GGTPUSOFFQGUQL-GXTWGEPZSA-N 0 1 386.460 0.687 20 0 GCADMN O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001571275979 945720155 /nfs/dbraw/zinc/72/01/55/945720155.db2.gz AWXIVVXWQZTBAZ-WFASDCNBSA-N 0 1 387.419 0.223 20 0 GCADMN O=C(NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001571275979 945720162 /nfs/dbraw/zinc/72/01/62/945720162.db2.gz AWXIVVXWQZTBAZ-WFASDCNBSA-N 0 1 387.419 0.223 20 0 GCADMN O=C([C@H]1CCCC(=O)N1)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571276256 945730862 /nfs/dbraw/zinc/73/08/62/945730862.db2.gz GFKCIQOFKFFXPT-UKRRQHHQSA-N 0 1 387.419 0.365 20 0 GCADMN CC1(C)CO[C@@H](CC(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571276640 945734093 /nfs/dbraw/zinc/73/40/93/945734093.db2.gz KAIKIOYTCUZEMW-OLZOCXBDSA-N 0 1 386.460 0.687 20 0 GCADMN O=C(C[C@H]1CCC(=O)N1)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571277036 945739181 /nfs/dbraw/zinc/73/91/81/945739181.db2.gz NIFULHYAICGMAJ-KGLIPLIRSA-N 0 1 387.419 0.365 20 0 GCADMN C[C@]1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCCOC1 ZINC001571277513 945742640 /nfs/dbraw/zinc/74/26/40/945742640.db2.gz LFDBXCXCNRRLMQ-ACJLOTCBSA-N 0 1 386.460 0.546 20 0 GCADMN CCO[C@@H]1CN(C(=O)C2(C)CCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571277647 945744239 /nfs/dbraw/zinc/74/42/39/945744239.db2.gz MVRGKPROVKSJDW-CHWSQXEVSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001571277649 945744257 /nfs/dbraw/zinc/74/42/57/945744257.db2.gz MYPFSJQIKUEFKZ-JSGCOSHPSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@]1(CNc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC001571277614 945745087 /nfs/dbraw/zinc/74/50/87/945745087.db2.gz MMKLYPWEQTYHBO-ACJLOTCBSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@H]1C[C@H](C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001571278362 945751745 /nfs/dbraw/zinc/75/17/45/945751745.db2.gz MYPFSJQIKUEFKZ-TZMCWYRMSA-N 0 1 386.460 0.544 20 0 GCADMN CC1(C)CC(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001571278452 945752672 /nfs/dbraw/zinc/75/26/72/945752672.db2.gz NGMBBFQBCATEIE-OLZOCXBDSA-N 0 1 386.460 0.539 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CCC(=O)N2)CCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001571278440 945753121 /nfs/dbraw/zinc/75/31/21/945753121.db2.gz ZYZDEXQODFCGEL-WKPIXPDZSA-N 0 1 387.419 0.363 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000821627130 945755456 /nfs/dbraw/zinc/75/54/56/945755456.db2.gz OMQDNTNIGXKKDS-UHFFFAOYSA-N 0 1 388.480 0.092 20 0 GCADMN C[C@]1(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCCOC1 ZINC001571278744 945760380 /nfs/dbraw/zinc/76/03/80/945760380.db2.gz BDRBEIXYMNRJLX-UGSOOPFHSA-N 0 1 387.444 0.140 20 0 GCADMN CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CCCCC1 ZINC001571278972 945764379 /nfs/dbraw/zinc/76/43/79/945764379.db2.gz TXNUFZYHDHCUJQ-CHWSQXEVSA-N 0 1 386.460 0.683 20 0 GCADMN O=C(C[C@H]1CCCOC1)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571278941 945765506 /nfs/dbraw/zinc/76/55/06/945765506.db2.gz SCCRWCUBQRABOU-OIISXLGYSA-N 0 1 386.456 0.345 20 0 GCADMN CCC[C@@H]1C[C@H](C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001571278966 945765828 /nfs/dbraw/zinc/76/58/28/945765828.db2.gz SSMOIWVYTWFMSA-ZIAGYGMSSA-N 0 1 386.460 0.901 20 0 GCADMN CCC[C@H]1C[C@@H](C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001571278963 945765868 /nfs/dbraw/zinc/76/58/68/945765868.db2.gz SSMOIWVYTWFMSA-KBPBESRZSA-N 0 1 386.460 0.901 20 0 GCADMN Cc1cc(N2CCO[C@H](CNC(=O)c3cnsn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571279126 945769375 /nfs/dbraw/zinc/76/93/75/945769375.db2.gz JHDQYDAGOURAMV-SNVBAGLBSA-N 0 1 387.429 0.057 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCN1CCN1CCCC1=O ZINC001571279328 945775582 /nfs/dbraw/zinc/77/55/82/945775582.db2.gz UYWLDMOLJHCKSK-OCCSQVGLSA-N 0 1 386.460 0.400 20 0 GCADMN COc1ccc(CN2CC[C@H](NC(=O)C3(C)CC3)[C@@H](O)C2)cc1-c1nn[nH]n1 ZINC001571280031 945794784 /nfs/dbraw/zinc/79/47/84/945794784.db2.gz ZUSBQGZSEYDTCW-GJZGRUSLSA-N 0 1 386.456 0.727 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573447458 945800509 /nfs/dbraw/zinc/80/05/09/945800509.db2.gz YXGIDFBCTLNQNI-BXUZGUMPSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573447458 945800526 /nfs/dbraw/zinc/80/05/26/945800526.db2.gz YXGIDFBCTLNQNI-BXUZGUMPSA-N 0 1 391.501 0.781 20 0 GCADMN Cn1cnc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571282173 945830786 /nfs/dbraw/zinc/83/07/86/945830786.db2.gz SZFBNGIYVCJSQN-GHMZBOCLSA-N 0 1 387.473 0.745 20 0 GCADMN Cn1cnc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571282173 945830801 /nfs/dbraw/zinc/83/08/01/945830801.db2.gz SZFBNGIYVCJSQN-GHMZBOCLSA-N 0 1 387.473 0.745 20 0 GCADMN Cc1c(C(=O)N(C)[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)nnn1C ZINC001571282186 945831964 /nfs/dbraw/zinc/83/19/64/945831964.db2.gz TXMADSNLDYYYJO-LLVKDONJSA-N 0 1 387.473 0.712 20 0 GCADMN C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571282168 945832555 /nfs/dbraw/zinc/83/25/55/945832555.db2.gz SXSUUMARSRUWPV-ZYHUDNBSSA-N 0 1 387.473 0.697 20 0 GCADMN C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282168 945832567 /nfs/dbraw/zinc/83/25/67/945832567.db2.gz SXSUUMARSRUWPV-ZYHUDNBSSA-N 0 1 387.473 0.697 20 0 GCADMN Cn1ncc(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571282247 945834283 /nfs/dbraw/zinc/83/42/83/945834283.db2.gz VXLFBTJBWSCFKA-NSHDSACASA-N 0 1 387.473 0.793 20 0 GCADMN Cn1ncc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571282247 945834299 /nfs/dbraw/zinc/83/42/99/945834299.db2.gz VXLFBTJBWSCFKA-NSHDSACASA-N 0 1 387.473 0.793 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001571282376 945841393 /nfs/dbraw/zinc/84/13/93/945841393.db2.gz WSBJEPYQSMSBCN-RYUDHWBXSA-N 0 1 387.473 0.862 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001571282376 945841403 /nfs/dbraw/zinc/84/14/03/945841403.db2.gz WSBJEPYQSMSBCN-RYUDHWBXSA-N 0 1 387.473 0.862 20 0 GCADMN CCn1nncc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571282386 945842248 /nfs/dbraw/zinc/84/22/48/945842248.db2.gz WXTZBWGAXOYUBW-XYPYZODXSA-N 0 1 387.473 0.838 20 0 GCADMN CCn1nncc1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571282386 945842267 /nfs/dbraw/zinc/84/22/67/945842267.db2.gz WXTZBWGAXOYUBW-XYPYZODXSA-N 0 1 387.473 0.838 20 0 GCADMN O=C([C@H]1COCCO1)N1CCC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571282895 945865453 /nfs/dbraw/zinc/86/54/53/945865453.db2.gz UWPWHWYLBWDFJU-XJKSGUPXSA-N 0 1 387.444 0.140 20 0 GCADMN CC(=O)N[C@](C)(C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573453828 945868487 /nfs/dbraw/zinc/86/84/87/945868487.db2.gz RAAVKKWJKONHSA-XIKOKIGWSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)N[C@H](C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573454229 945872149 /nfs/dbraw/zinc/87/21/49/945872149.db2.gz VGAQDBFESRHOIE-INIZCTEOSA-N 0 1 386.460 0.509 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573455267 945880349 /nfs/dbraw/zinc/88/03/49/945880349.db2.gz BCWAQISLNSPNFZ-INIZCTEOSA-N 0 1 385.472 0.814 20 0 GCADMN CC(C)[C@@H](C(=O)N1CC[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1)[NH+](C)C ZINC001571283340 945884791 /nfs/dbraw/zinc/88/47/91/945884791.db2.gz CUUQFDIDKJPMRN-YJBOKZPZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573455584 945885086 /nfs/dbraw/zinc/88/50/86/945885086.db2.gz FHMZLVCVNGKMTQ-INIZCTEOSA-N 0 1 385.472 0.814 20 0 GCADMN CC(C)[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[NH+](C)C ZINC001571284240 945899459 /nfs/dbraw/zinc/89/94/59/945899459.db2.gz NYAMUWSSYXMPLS-CZUORRHYSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[C@H](C(=O)N1CCC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[NH+](C)C ZINC001571284240 945899462 /nfs/dbraw/zinc/89/94/62/945899462.db2.gz NYAMUWSSYXMPLS-CZUORRHYSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[NH+](C)C ZINC001571284238 945900539 /nfs/dbraw/zinc/90/05/39/945900539.db2.gz NYAMUWSSYXMPLS-BBRMVZONSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[C@@H](C(=O)N1CCC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[NH+](C)C ZINC001571284238 945900547 /nfs/dbraw/zinc/90/05/47/945900547.db2.gz NYAMUWSSYXMPLS-BBRMVZONSA-N 0 1 387.492 0.893 20 0 GCADMN COc1ccccc1N1CCC(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000821899394 945901633 /nfs/dbraw/zinc/90/16/33/945901633.db2.gz YEPWLZWJSWJTMK-UHFFFAOYSA-N 0 1 383.416 0.252 20 0 GCADMN 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/nfs/dbraw/zinc/03/16/39/946031639.db2.gz GXZTUQKTDWTVQW-PIGZYNQJSA-N 0 1 391.501 0.781 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290215 946036649 /nfs/dbraw/zinc/03/66/49/946036649.db2.gz XUBWTEUYVRSQOS-NWDGAFQWSA-N 0 1 388.461 0.084 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)Cn2ncnn2)CC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001571290215 946036668 /nfs/dbraw/zinc/03/66/68/946036668.db2.gz XUBWTEUYVRSQOS-NWDGAFQWSA-N 0 1 388.461 0.084 20 0 GCADMN C[C@@H]1CN(C(=O)c2cnn(C)c2Cl)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571290465 946043601 /nfs/dbraw/zinc/04/36/01/946043601.db2.gz FZPMSJPNMMKLEF-PSASIEDQSA-N 0 1 388.823 0.038 20 0 GCADMN CCn1ncc(Cl)c1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571290572 946048198 /nfs/dbraw/zinc/04/81/98/946048198.db2.gz JANMWTWGGKRVAL-UHFFFAOYSA-N 0 1 388.823 0.489 20 0 GCADMN Cn1cc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(Cl)n1 ZINC001571290698 946053684 /nfs/dbraw/zinc/05/36/84/946053684.db2.gz MFFWYTHIRHWGKS-SECBINFHSA-N 0 1 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CC(=O)N(C)CC(=O)N[C@H]1CC[C@@H](C)N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573398149 947977723 /nfs/dbraw/zinc/97/77/23/947977723.db2.gz HGDHFWZAGGNNPZ-OCCSQVGLSA-N 0 1 386.460 0.522 20 0 GCADMN C[C@@H](C(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573655958 947983353 /nfs/dbraw/zinc/98/33/53/947983353.db2.gz AIIBNHLITIBYAP-KZULUSFZSA-N 0 1 379.428 0.940 20 0 GCADMN Cc1onc(CC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)c1-c1nn[n-]n1 ZINC000826343703 947995811 /nfs/dbraw/zinc/99/58/11/947995811.db2.gz KQTWLPSNVUDAPI-UHFFFAOYSA-N 0 1 388.476 0.192 20 0 GCADMN Cc1onc(CC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1-c1nnn[n-]1 ZINC000826344468 948007441 /nfs/dbraw/zinc/00/74/41/948007441.db2.gz IWUVQOGOQPPCHD-CQSZACIVSA-N 0 1 388.476 0.334 20 0 GCADMN Cc1onc(CC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1-c1nnn[n-]1 ZINC000826344468 948007445 /nfs/dbraw/zinc/00/74/45/948007445.db2.gz IWUVQOGOQPPCHD-CQSZACIVSA-N 0 1 388.476 0.334 20 0 GCADMN Cc1onc(CC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1-c1nn[n-]n1 ZINC000826344468 948007451 /nfs/dbraw/zinc/00/74/51/948007451.db2.gz IWUVQOGOQPPCHD-CQSZACIVSA-N 0 1 388.476 0.334 20 0 GCADMN Cc1onc(CC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1-c1nn[n-]n1 ZINC000826344468 948007455 /nfs/dbraw/zinc/00/74/55/948007455.db2.gz IWUVQOGOQPPCHD-CQSZACIVSA-N 0 1 388.476 0.334 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001573403462 948012173 /nfs/dbraw/zinc/01/21/73/948012173.db2.gz MYYKPECDMDHCOI-CYBMUJFWSA-N 0 1 379.490 0.637 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001573403462 948012182 /nfs/dbraw/zinc/01/21/82/948012182.db2.gz MYYKPECDMDHCOI-CYBMUJFWSA-N 0 1 379.490 0.637 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573403814 948013761 /nfs/dbraw/zinc/01/37/61/948013761.db2.gz OPINOMHXDYHQCR-QMMMGPOBSA-N 0 1 384.853 0.150 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1(Nc2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001573404236 948018459 /nfs/dbraw/zinc/01/84/59/948018459.db2.gz AVWLFJQFRWRNMJ-UHFFFAOYSA-N 0 1 384.853 0.516 20 0 GCADMN C[C@H](C(=O)N[C@H](COC(N)=O)Cc1ccccc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573660119 948020108 /nfs/dbraw/zinc/02/01/08/948020108.db2.gz ZABOJMKUQZKAIB-PWSUYJOCSA-N 0 1 385.388 0.256 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H](C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573404841 948032652 /nfs/dbraw/zinc/03/26/52/948032652.db2.gz WVBTVWVGUGIVFD-ZETCQYMHSA-N 0 1 386.869 0.396 20 0 GCADMN C[C@@H](C(=O)NC1CC1)N1CCC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573663341 948033751 /nfs/dbraw/zinc/03/37/51/948033751.db2.gz LTEBWGMMWDRSCX-NSHDSACASA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H](C(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573663326 948034456 /nfs/dbraw/zinc/03/44/56/948034456.db2.gz LKPODGHGPLUDLS-SGTLLEGYSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@@H](C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573663313 948035644 /nfs/dbraw/zinc/03/56/44/948035644.db2.gz LCLOYYKJZAKLHB-LKSINWNRSA-N 0 1 381.444 0.528 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573405334 948041410 /nfs/dbraw/zinc/04/14/10/948041410.db2.gz PHMUJXXBRMTZHV-CQSZACIVSA-N 0 1 386.460 0.381 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001573405299 948041669 /nfs/dbraw/zinc/04/16/69/948041669.db2.gz OKMOTQSXWDLRFF-UHFFFAOYSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001573405299 948041673 /nfs/dbraw/zinc/04/16/73/948041673.db2.gz OKMOTQSXWDLRFF-UHFFFAOYSA-N 0 1 391.501 0.925 20 0 GCADMN Cc1onc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826346578 948042245 /nfs/dbraw/zinc/04/22/45/948042245.db2.gz PQCCRSIADVZCSS-HUUCEWRRSA-N 0 1 389.460 0.590 20 0 GCADMN Cc1onc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826346578 948042255 /nfs/dbraw/zinc/04/22/55/948042255.db2.gz PQCCRSIADVZCSS-HUUCEWRRSA-N 0 1 389.460 0.590 20 0 GCADMN Cc1onc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826346577 948044221 /nfs/dbraw/zinc/04/42/21/948044221.db2.gz PQCCRSIADVZCSS-GJZGRUSLSA-N 0 1 389.460 0.590 20 0 GCADMN Cc1onc(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826346577 948044230 /nfs/dbraw/zinc/04/42/30/948044230.db2.gz PQCCRSIADVZCSS-GJZGRUSLSA-N 0 1 389.460 0.590 20 0 GCADMN C[C@@H](C(=O)NC1CC1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573664032 948045312 /nfs/dbraw/zinc/04/53/12/948045312.db2.gz RDQDLDALZMDWRB-RYUDHWBXSA-N 0 1 386.460 0.304 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573405747 948047444 /nfs/dbraw/zinc/04/74/44/948047444.db2.gz VQCBOKYQJYTIRE-UHFFFAOYSA-N 0 1 386.460 0.381 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573405791 948048523 /nfs/dbraw/zinc/04/85/23/948048523.db2.gz XGNBOMXGRZRVJZ-CQSZACIVSA-N 0 1 389.435 0.565 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)cc1F ZINC001573405910 948049765 /nfs/dbraw/zinc/04/97/65/948049765.db2.gz YRPFVVWBSRWTAF-HNNXBMFYSA-N 0 1 389.435 0.565 20 0 GCADMN C[C@@H](C(=O)NC1CC1)N(C)C[C@@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573664454 948055544 /nfs/dbraw/zinc/05/55/44/948055544.db2.gz VAAHXJUNKBUDDB-AAEUAGOBSA-N 0 1 386.460 0.398 20 0 GCADMN Cc1onc(CC(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1-c1nn[n-]n1 ZINC000826347673 948058092 /nfs/dbraw/zinc/05/80/92/948058092.db2.gz ZNHAVGWUYXBXJJ-RYUDHWBXSA-N 0 1 377.449 0.711 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H](C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573406768 948059047 /nfs/dbraw/zinc/05/90/47/948059047.db2.gz RRPHFANIEBLYQY-GFCCVEGCSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573664905 948065662 /nfs/dbraw/zinc/06/56/62/948065662.db2.gz YXPSFAVUTSSMCX-VOMCLLRMSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573664905 948065672 /nfs/dbraw/zinc/06/56/72/948065672.db2.gz YXPSFAVUTSSMCX-VOMCLLRMSA-N 0 1 387.473 0.765 20 0 GCADMN CC(=O)N1CC(C(=O)N2CC[C@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573413409 948081236 /nfs/dbraw/zinc/08/12/36/948081236.db2.gz DIHGSLKHOQPAGD-CYBMUJFWSA-N 0 1 384.444 0.025 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573666472 948087224 /nfs/dbraw/zinc/08/72/24/948087224.db2.gz TYUWXORATLBPPF-CHWSQXEVSA-N 0 1 382.432 0.590 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)C2CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001573415468 948109686 /nfs/dbraw/zinc/10/96/86/948109686.db2.gz UHHGNOHENHWXEU-UHFFFAOYSA-N 0 1 384.444 0.167 20 0 GCADMN Cn1cc([C@H](O)C[C@@H]2CCCN2[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359259 948116291 /nfs/dbraw/zinc/11/62/91/948116291.db2.gz AXUMBEAHBMRQTF-BBWFWOEESA-N 0 1 396.455 0.715 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573418627 948119697 /nfs/dbraw/zinc/11/96/97/948119697.db2.gz HPGXWWTUUNGSSB-UWVGGRQHSA-N 0 1 377.474 0.389 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573418627 948119701 /nfs/dbraw/zinc/11/97/01/948119701.db2.gz HPGXWWTUUNGSSB-UWVGGRQHSA-N 0 1 377.474 0.389 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001573419162 948121956 /nfs/dbraw/zinc/12/19/56/948121956.db2.gz KKPWVBFIROSKBR-KRWDZBQOSA-N 0 1 383.456 0.426 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)C1 ZINC001573421476 948138569 /nfs/dbraw/zinc/13/85/69/948138569.db2.gz GJNCEQPAGKIPQS-CQSZACIVSA-N 0 1 389.485 0.391 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)C1 ZINC001573421476 948138572 /nfs/dbraw/zinc/13/85/72/948138572.db2.gz GJNCEQPAGKIPQS-CQSZACIVSA-N 0 1 389.485 0.391 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573423155 948143331 /nfs/dbraw/zinc/14/33/31/948143331.db2.gz NZCOLDDFYBTMFK-LBPRGKRZSA-N 0 1 389.485 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573423155 948143335 /nfs/dbraw/zinc/14/33/35/948143335.db2.gz NZCOLDDFYBTMFK-LBPRGKRZSA-N 0 1 389.485 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573423155 948143341 /nfs/dbraw/zinc/14/33/41/948143341.db2.gz NZCOLDDFYBTMFK-LBPRGKRZSA-N 0 1 389.485 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573423155 948143347 /nfs/dbraw/zinc/14/33/47/948143347.db2.gz NZCOLDDFYBTMFK-LBPRGKRZSA-N 0 1 389.485 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573423218 948143463 /nfs/dbraw/zinc/14/34/63/948143463.db2.gz OPLQENCHKNEKLT-HZPDHXFCSA-N 0 1 384.444 0.001 20 0 GCADMN CC(=O)N1CC(C(=O)NCCC[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573423214 948144149 /nfs/dbraw/zinc/14/41/49/948144149.db2.gz OMPYWRUFKTYANU-UHFFFAOYSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)NCCC[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573423214 948144160 /nfs/dbraw/zinc/14/41/60/948144160.db2.gz OMPYWRUFKTYANU-UHFFFAOYSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)NCCC[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573423214 948144164 /nfs/dbraw/zinc/14/41/64/948144164.db2.gz OMPYWRUFKTYANU-UHFFFAOYSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)NCCC[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573423214 948144170 /nfs/dbraw/zinc/14/41/70/948144170.db2.gz OMPYWRUFKTYANU-UHFFFAOYSA-N 0 1 377.474 0.345 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001573679191 948158614 /nfs/dbraw/zinc/15/86/14/948158614.db2.gz JUCPYEWCYMDOLO-KBPBESRZSA-N 0 1 387.492 0.862 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573428939 948168546 /nfs/dbraw/zinc/16/85/46/948168546.db2.gz DTIFHLWAMWFNCB-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC001573428939 948168548 /nfs/dbraw/zinc/16/85/48/948168548.db2.gz DTIFHLWAMWFNCB-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573428939 948168551 /nfs/dbraw/zinc/16/85/51/948168551.db2.gz DTIFHLWAMWFNCB-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001573428939 948168554 /nfs/dbraw/zinc/16/85/54/948168554.db2.gz DTIFHLWAMWFNCB-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1CCC(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)CC1 ZINC001573429351 948170297 /nfs/dbraw/zinc/17/02/97/948170297.db2.gz HHNCJLHRQXAILT-UHFFFAOYSA-N 0 1 384.444 0.003 20 0 GCADMN CC(=O)N1CCC(C(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573430654 948177777 /nfs/dbraw/zinc/17/77/77/948177777.db2.gz SPCALMZBLZHNBK-GFCCVEGCSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@@H](C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cnn(C)c1 ZINC001573680569 948182600 /nfs/dbraw/zinc/18/26/00/948182600.db2.gz ONAPPEUURXOGED-BZNIZROVSA-N 0 1 381.444 0.528 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573432884 948194961 /nfs/dbraw/zinc/19/49/61/948194961.db2.gz HWWPBIBRCKYRJY-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573432884 948194967 /nfs/dbraw/zinc/19/49/67/948194967.db2.gz HWWPBIBRCKYRJY-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc(-c4nnn[n-]4)nn3)c2)C1 ZINC000826389968 948197982 /nfs/dbraw/zinc/19/79/82/948197982.db2.gz MQTPDUDOJOBJLK-HNNXBMFYSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ccc(-c4nnn[n-]4)nn3)c2)C1 ZINC000826389968 948197986 /nfs/dbraw/zinc/19/79/86/948197986.db2.gz MQTPDUDOJOBJLK-HNNXBMFYSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3ccc(-c4nn[n-]n4)nn3)c2)C1 ZINC000826389968 948197991 /nfs/dbraw/zinc/19/79/91/948197991.db2.gz MQTPDUDOJOBJLK-HNNXBMFYSA-N 0 1 393.455 0.966 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ccc(-c4nn[n-]n4)nn3)c2)C1 ZINC000826389968 948197996 /nfs/dbraw/zinc/19/79/96/948197996.db2.gz MQTPDUDOJOBJLK-HNNXBMFYSA-N 0 1 393.455 0.966 20 0 GCADMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573681382 948202159 /nfs/dbraw/zinc/20/21/59/948202159.db2.gz VESUNGVANIPMLD-WCQYABFASA-N 0 1 384.448 0.169 20 0 GCADMN CC(=O)N1CC[C@@H](N2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)CC2)C1 ZINC001573434045 948207328 /nfs/dbraw/zinc/20/73/28/948207328.db2.gz OHSLQEWHPLXADO-SNVBAGLBSA-N 0 1 382.881 0.719 20 0 GCADMN CC(=O)N1CC[C@H](N2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)CC2)C1 ZINC001573434039 948207667 /nfs/dbraw/zinc/20/76/67/948207667.db2.gz OHSLQEWHPLXADO-JTQLQIEISA-N 0 1 382.881 0.719 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573434184 948209575 /nfs/dbraw/zinc/20/95/75/948209575.db2.gz ORFCQTYWZCTVCJ-XIKOKIGWSA-N 0 1 386.460 0.106 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434656 948217026 /nfs/dbraw/zinc/21/70/26/948217026.db2.gz SBAXLAKRZZNMPJ-SGTLLEGYSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573435302 948229258 /nfs/dbraw/zinc/22/92/58/948229258.db2.gz VKQMQCBEZMBOAK-SFHVURJKSA-N 0 1 386.460 0.415 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573435412 948229312 /nfs/dbraw/zinc/22/93/12/948229312.db2.gz WROQVNJFOVTRIQ-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573435412 948229320 /nfs/dbraw/zinc/22/93/20/948229320.db2.gz WROQVNJFOVTRIQ-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001573690852 948231715 /nfs/dbraw/zinc/23/17/15/948231715.db2.gz FUSBCJPTUDRIAN-QWRGUYRKSA-N 0 1 376.442 0.892 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1ccco1 ZINC001573690852 948231722 /nfs/dbraw/zinc/23/17/22/948231722.db2.gz FUSBCJPTUDRIAN-QWRGUYRKSA-N 0 1 376.442 0.892 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccn1 ZINC001573691092 948234059 /nfs/dbraw/zinc/23/40/59/948234059.db2.gz HLZUCCJMFRANKK-FZMZJTMJSA-N 0 1 388.407 0.030 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573438431 948234695 /nfs/dbraw/zinc/23/46/95/948234695.db2.gz AKNODDYPEMJLTN-JSGCOSHPSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC001573691515 948244234 /nfs/dbraw/zinc/24/42/34/948244234.db2.gz JOBUWDPKFSWIEL-KWQFWETISA-N 0 1 390.341 0.771 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cccc(F)c1 ZINC001573691931 948250721 /nfs/dbraw/zinc/25/07/21/948250721.db2.gz LFRSOKRBYUPKCO-RISCZKNCSA-N 0 1 385.403 0.515 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N(C)C[C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573439869 948254051 /nfs/dbraw/zinc/25/40/51/948254051.db2.gz VGYJWISPXVHOLF-OCCSQVGLSA-N 0 1 386.460 0.201 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826425203 948273889 /nfs/dbraw/zinc/27/38/89/948273889.db2.gz UBXVVZCTZRZZBO-SKDRFNHKSA-N 0 1 376.327 0.071 20 0 GCADMN C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573693576 948282693 /nfs/dbraw/zinc/28/26/93/948282693.db2.gz AEIBMJRIABCJCV-VFZGTOFNSA-N 0 1 382.375 0.005 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573442231 948289086 /nfs/dbraw/zinc/28/90/86/948289086.db2.gz FWZBMBRNYHGQJL-JSGCOSHPSA-N 0 1 386.460 0.106 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(F)F ZINC001573695648 948308853 /nfs/dbraw/zinc/30/88/53/948308853.db2.gz YGSMBBNKEURQTE-JOYOIKCWSA-N 0 1 386.378 0.864 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001573444398 948314842 /nfs/dbraw/zinc/31/48/42/948314842.db2.gz TXRDZYDZUXQGBJ-ZDUSSCGKSA-N 0 1 384.444 0.003 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001573444397 948315388 /nfs/dbraw/zinc/31/53/88/948315388.db2.gz TXRDZYDZUXQGBJ-CYBMUJFWSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573696390 948323962 /nfs/dbraw/zinc/32/39/62/948323962.db2.gz PKULLXXPIUGOPX-DCBWTQNWSA-N 0 1 379.428 0.584 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573446280 948326045 /nfs/dbraw/zinc/32/60/45/948326045.db2.gz CNSACVBLWOQGHB-JKSUJKDBSA-N 0 1 384.444 0.001 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573446629 948333752 /nfs/dbraw/zinc/33/37/52/948333752.db2.gz KUKGTDMCWIXHEJ-OAHLLOKOSA-N 0 1 384.444 0.230 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573704088 948363249 /nfs/dbraw/zinc/36/32/49/948363249.db2.gz OVMAULRVFSKQPH-CHWSQXEVSA-N 0 1 382.432 0.447 20 0 GCADMN O=C1[C@@H](N2CCN(CCCCO)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476227 948378983 /nfs/dbraw/zinc/37/89/83/948378983.db2.gz CXHQLIYUPBBRTE-SFHVURJKSA-N 0 1 399.499 0.752 20 0 GCADMN O=C1[C@@H](N2CC[C@H](N3CCOCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476587 948383137 /nfs/dbraw/zinc/38/31/37/948383137.db2.gz KSQBWGFNLZCIIS-ROUUACIJSA-N 0 1 397.483 0.769 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[nH]n2)n1 ZINC001573705421 948400292 /nfs/dbraw/zinc/40/02/92/948400292.db2.gz WQDYWVXOYPZLLW-NWDGAFQWSA-N 0 1 376.421 0.111 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573705487 948401896 /nfs/dbraw/zinc/40/18/96/948401896.db2.gz HVDLZCHDJYHAFE-VXGBXAGGSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573705487 948401901 /nfs/dbraw/zinc/40/19/01/948401901.db2.gz HVDLZCHDJYHAFE-VXGBXAGGSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573705487 948401905 /nfs/dbraw/zinc/40/19/05/948401905.db2.gz HVDLZCHDJYHAFE-VXGBXAGGSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573705487 948401909 /nfs/dbraw/zinc/40/19/09/948401909.db2.gz HVDLZCHDJYHAFE-VXGBXAGGSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573706680 948422374 /nfs/dbraw/zinc/42/23/74/948422374.db2.gz KTKJCOFZWJMCAI-GFCCVEGCSA-N 0 1 382.432 0.235 20 0 GCADMN C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573707423 948433820 /nfs/dbraw/zinc/43/38/20/948433820.db2.gz NRLGMCXBMGVZAT-SECBINFHSA-N 0 1 384.366 0.975 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573707935 948441703 /nfs/dbraw/zinc/44/17/03/948441703.db2.gz QISVBISFCQLTFS-CYBMUJFWSA-N 0 1 380.456 0.952 20 0 GCADMN C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573708726 948457669 /nfs/dbraw/zinc/45/76/69/948457669.db2.gz XOFYXAHXZXMUDI-LBPRGKRZSA-N 0 1 382.432 0.235 20 0 GCADMN C[C@H](C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)[C@H]1CCC(=O)N1 ZINC001573714933 948478774 /nfs/dbraw/zinc/47/87/74/948478774.db2.gz LNYCZVBUCLHEGG-XHDPSFHLSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](C(=O)NCCc1ccc2c(c1)OCCCO2)n1cnc(-c2nn[nH]n2)n1 ZINC001573717317 948506878 /nfs/dbraw/zinc/50/68/78/948506878.db2.gz LFFCELPFYODCTO-LLVKDONJSA-N 0 1 384.400 0.539 20 0 GCADMN C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)n1cncn1 ZINC001573717483 948508903 /nfs/dbraw/zinc/50/89/03/948508903.db2.gz CXGHEWZKQBPYIT-NSHDSACASA-N 0 1 387.473 0.862 20 0 GCADMN C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccnc1 ZINC001573717512 948511095 /nfs/dbraw/zinc/51/10/95/948511095.db2.gz DSLLZHPZTFWOHS-GFCCVEGCSA-N 0 1 379.428 0.940 20 0 GCADMN C[C@H](C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573728140 948558893 /nfs/dbraw/zinc/55/88/93/948558893.db2.gz PITISENWWHDIEH-MXWKQRLJSA-N 0 1 391.436 0.439 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573729580 948569072 /nfs/dbraw/zinc/56/90/72/948569072.db2.gz VCBUWMLMPLALLF-KXUCPTDWSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)n1cncn1 ZINC001573730165 948577480 /nfs/dbraw/zinc/57/74/80/948577480.db2.gz YZTASVHKVDPNLM-JHJVBQTASA-N 0 1 382.432 0.303 20 0 GCADMN C[C@H](NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)c1ccc(S(C)(=O)=O)cc1 ZINC001573732095 948599515 /nfs/dbraw/zinc/59/95/15/948599515.db2.gz LAZCYMKKVVTPSM-UWVGGRQHSA-N 0 1 390.429 0.300 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)n1cccc1 ZINC001573740162 948629066 /nfs/dbraw/zinc/62/90/66/948629066.db2.gz GKMXQYFRJZMAMA-KBRIMQKVSA-N 0 1 381.440 0.591 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1ccccc1F ZINC001573741076 948648760 /nfs/dbraw/zinc/64/87/60/948648760.db2.gz SCIFZSRGWWDIGG-HONMWMINSA-N 0 1 398.402 0.265 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1ccsc1 ZINC001573741164 948650539 /nfs/dbraw/zinc/65/05/39/948650539.db2.gz UNESSRVBPJZGKS-JLLWLGSASA-N 0 1 386.441 0.188 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cncn1 ZINC001573741856 948657096 /nfs/dbraw/zinc/65/70/96/948657096.db2.gz GDWXTFUVQSDPBL-CJNGLKHVSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573746861 948685705 /nfs/dbraw/zinc/68/57/05/948685705.db2.gz MALUFDISEZEXFQ-OBJOEFQTSA-N 0 1 379.428 0.584 20 0 GCADMN C[C@H](C(N)=O)N1CCC2(C[C@@H](C)N(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573754994 948752169 /nfs/dbraw/zinc/75/21/69/948752169.db2.gz MHQLBAPRZZDQAA-VXGBXAGGSA-N 0 1 386.460 0.385 20 0 GCADMN CC(F)(F)C1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)CC1 ZINC001575222302 948758711 /nfs/dbraw/zinc/75/87/11/948758711.db2.gz HYOCUSMCHMFYJZ-UHFFFAOYSA-N 0 1 378.387 0.965 20 0 GCADMN CC(C)[C@@H](NS(C)(=O)=O)C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001574078704 948761583 /nfs/dbraw/zinc/76/15/83/948761583.db2.gz GTHWNPUFLUVQMC-LLVKDONJSA-N 0 1 378.418 0.255 20 0 GCADMN CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574417176 948764993 /nfs/dbraw/zinc/76/49/93/948764993.db2.gz MWBZCGKCKACTAH-CQSZACIVSA-N 0 1 382.428 0.405 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CC1 ZINC001575223993 948777404 /nfs/dbraw/zinc/77/74/04/948777404.db2.gz SDAFQIRIRQJBKT-RTCCRHLQSA-N 0 1 390.398 0.891 20 0 GCADMN C[C@H](C(=O)Nc1cc(Cl)cc(F)c1C(N)=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573755771 948782009 /nfs/dbraw/zinc/78/20/09/948782009.db2.gz HYBXIVNBGISKFN-RXMQYKEDSA-N 0 1 379.743 0.549 20 0 GCADMN CC(C)c1ccccc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574419318 948782716 /nfs/dbraw/zinc/78/27/16/948782716.db2.gz BECMYVUTRFRNAX-LBPRGKRZSA-N 0 1 382.428 0.405 20 0 GCADMN C[C@@H](C(=O)Nc1cc(Cl)cc(F)c1C(N)=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573755772 948784069 /nfs/dbraw/zinc/78/40/69/948784069.db2.gz HYBXIVNBGISKFN-YFKPBYRVSA-N 0 1 379.743 0.549 20 0 GCADMN C[C@H](C(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756068 948797281 /nfs/dbraw/zinc/79/72/81/948797281.db2.gz LTWPINBSIBPCPM-SECBINFHSA-N 0 1 395.383 0.178 20 0 GCADMN C[C@H](CNC(=O)CCc1ccnn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917334 948819457 /nfs/dbraw/zinc/81/94/57/948819457.db2.gz WRICRSKMQGOWEM-GFCCVEGCSA-N 0 1 386.435 0.966 20 0 GCADMN C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574683102 948839677 /nfs/dbraw/zinc/83/96/77/948839677.db2.gz UNNOMQQSAGKPRY-GFCCVEGCSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574683102 948839698 /nfs/dbraw/zinc/83/96/98/948839698.db2.gz UNNOMQQSAGKPRY-GFCCVEGCSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574683102 948839713 /nfs/dbraw/zinc/83/97/13/948839713.db2.gz UNNOMQQSAGKPRY-GFCCVEGCSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574683102 948839728 /nfs/dbraw/zinc/83/97/28/948839728.db2.gz UNNOMQQSAGKPRY-GFCCVEGCSA-N 0 1 375.481 0.941 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573761299 948841104 /nfs/dbraw/zinc/84/11/04/948841104.db2.gz GOEAXIFQTCMPKN-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001574918992 948864624 /nfs/dbraw/zinc/86/46/24/948864624.db2.gz SWVDSDZXTFMZPF-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001574918992 948864638 /nfs/dbraw/zinc/86/46/38/948864638.db2.gz SWVDSDZXTFMZPF-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574919193 948870460 /nfs/dbraw/zinc/87/04/60/948870460.db2.gz WFKOVRJIBNIIDU-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574919193 948870480 /nfs/dbraw/zinc/87/04/80/948870480.db2.gz WFKOVRJIBNIIDU-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN CC(C)c1nc(CN(C)[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001574425268 948871096 /nfs/dbraw/zinc/87/10/96/948871096.db2.gz BSEHHVSPTAGBRH-LBPRGKRZSA-N 0 1 384.448 0.783 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnnn1C ZINC001574684488 948872945 /nfs/dbraw/zinc/87/29/45/948872945.db2.gz HIJCNLVDXBKPOR-ZCFIWIBFSA-N 0 1 382.841 0.726 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnnn1C ZINC001574684487 948874712 /nfs/dbraw/zinc/87/47/12/948874712.db2.gz HIJCNLVDXBKPOR-LURJTMIESA-N 0 1 382.841 0.726 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1COCCO1 ZINC001574684653 948875956 /nfs/dbraw/zinc/87/59/56/948875956.db2.gz KCEQLGQVKCXNSQ-JGVFFNPUSA-N 0 1 387.853 0.699 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCC1 ZINC001573763933 948878423 /nfs/dbraw/zinc/87/84/23/948878423.db2.gz IUYWMNGJPRPIIY-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)c1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 ZINC001574425546 948880850 /nfs/dbraw/zinc/88/08/50/948880850.db2.gz IVMKQJASPSDRFP-MSRIBSCDSA-N 0 1 382.432 0.297 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001573764298 948886365 /nfs/dbraw/zinc/88/63/65/948886365.db2.gz LWOJHGKJPGLDJG-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573764298 948886377 /nfs/dbraw/zinc/88/63/77/948886377.db2.gz LWOJHGKJPGLDJG-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cn(C)nn1 ZINC001574684845 948892181 /nfs/dbraw/zinc/89/21/81/948892181.db2.gz NNEUXEDNAJJZEL-ZCFIWIBFSA-N 0 1 382.841 0.726 20 0 GCADMN CC(C)c1nc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)n[nH]1 ZINC001574427078 948900875 /nfs/dbraw/zinc/90/08/75/948900875.db2.gz YTRQVRAUWCLIHG-PWSUYJOCSA-N 0 1 384.448 0.829 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920952 948912940 /nfs/dbraw/zinc/91/29/40/948912940.db2.gz RUMJDGFRANJMLM-LBPRGKRZSA-N 0 1 386.435 0.966 20 0 GCADMN CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)n1 ZINC001574921127 948918159 /nfs/dbraw/zinc/91/81/59/948918159.db2.gz SSHVCFUKHZLQTD-NSHDSACASA-N 0 1 385.432 0.739 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921190 948918459 /nfs/dbraw/zinc/91/84/59/948918459.db2.gz VACVFVFGGQALIL-JTQLQIEISA-N 0 1 375.462 0.284 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574921190 948918470 /nfs/dbraw/zinc/91/84/70/948918470.db2.gz VACVFVFGGQALIL-JTQLQIEISA-N 0 1 375.462 0.284 20 0 GCADMN CC(C)(C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573765650 948921195 /nfs/dbraw/zinc/92/11/95/948921195.db2.gz VLHIMTHUTKDCJK-SECBINFHSA-N 0 1 382.375 0.009 20 0 GCADMN CC(C)c1ncncc1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574431730 948924212 /nfs/dbraw/zinc/92/42/12/948924212.db2.gz ADJVSZQKLFITKY-NSHDSACASA-N 0 1 382.432 0.825 20 0 GCADMN CC(F)(F)CC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001575235613 948925302 /nfs/dbraw/zinc/92/53/02/948925302.db2.gz WNUFHNKIHPRAJZ-ZIAGYGMSSA-N 0 1 380.399 0.963 20 0 GCADMN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001573766020 948930349 /nfs/dbraw/zinc/93/03/49/948930349.db2.gz UHGHDWMGLYQPBT-STQMWFEESA-N 0 1 383.460 0.321 20 0 GCADMN CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573771822 948946171 /nfs/dbraw/zinc/94/61/71/948946171.db2.gz LZFXCJCPDJONAS-UHFFFAOYSA-N 0 1 385.476 0.260 20 0 GCADMN CC(C)(C(=O)N[C@@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)[NH+]1CCCC1 ZINC001573771837 948946367 /nfs/dbraw/zinc/94/63/67/948946367.db2.gz MDWVSJLJJKUBFT-ZDUSSCGKSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)N[C@@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)[NH+]1CCCC1 ZINC001573771837 948946379 /nfs/dbraw/zinc/94/63/79/948946379.db2.gz MDWVSJLJJKUBFT-ZDUSSCGKSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573771705 948947575 /nfs/dbraw/zinc/94/75/75/948947575.db2.gz LEXNTQDOTLDEPO-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433170 948948531 /nfs/dbraw/zinc/94/85/31/948948531.db2.gz JWGGSMIHZWSNFW-XYPYZODXSA-N 0 1 382.432 0.308 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574433466 948959844 /nfs/dbraw/zinc/95/98/44/948959844.db2.gz OKEOAMMFSOPLBQ-GFCCVEGCSA-N 0 1 381.444 0.867 20 0 GCADMN CC(F)(F)CCC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O ZINC001575239410 948960394 /nfs/dbraw/zinc/96/03/94/948960394.db2.gz RNMBHQATUCTXPH-ZIAGYGMSSA-N 0 1 380.399 0.963 20 0 GCADMN CC(F)(F)CCC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575239416 948960597 /nfs/dbraw/zinc/96/05/97/948960597.db2.gz RPNZLVURGGDSGD-JTQLQIEISA-N 0 1 382.375 0.414 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433611 948960930 /nfs/dbraw/zinc/96/09/30/948960930.db2.gz YXYZNRKLLKTSKT-NSHDSACASA-N 0 1 380.416 0.579 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433759 948964541 /nfs/dbraw/zinc/96/45/41/948964541.db2.gz PILIERLOPSJSCB-MNOVXSKESA-N 0 1 384.448 0.554 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574433845 948966167 /nfs/dbraw/zinc/96/61/67/948966167.db2.gz SHVPTARPYFLSHJ-NSHDSACASA-N 0 1 384.448 0.508 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574925562 948973114 /nfs/dbraw/zinc/97/31/14/948973114.db2.gz BCIAXXDKCVXMNE-GFCCVEGCSA-N 0 1 387.448 0.000 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573773567 948986860 /nfs/dbraw/zinc/98/68/60/948986860.db2.gz MAGYZFOCQZRUGF-OLZOCXBDSA-N 0 1 386.460 0.947 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCCO1 ZINC001573773699 948992342 /nfs/dbraw/zinc/99/23/42/948992342.db2.gz DXWMFZCBPXJUMU-GFCCVEGCSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574926290 948994708 /nfs/dbraw/zinc/99/47/08/948994708.db2.gz MSHDBZUDZGTRJD-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574926290 948994721 /nfs/dbraw/zinc/99/47/21/948994721.db2.gz MSHDBZUDZGTRJD-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574926290 948994729 /nfs/dbraw/zinc/99/47/29/948994729.db2.gz MSHDBZUDZGTRJD-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574926290 948994742 /nfs/dbraw/zinc/99/47/42/948994742.db2.gz MSHDBZUDZGTRJD-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN CC(C)c1nnc(CNC[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001574435433 948995618 /nfs/dbraw/zinc/99/56/18/948995618.db2.gz VFWNLIVXWZFMNU-LLVKDONJSA-N 0 1 385.432 0.953 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001574926396 948996677 /nfs/dbraw/zinc/99/66/77/948996677.db2.gz PKEOGHUJUISEMB-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574926396 948996687 /nfs/dbraw/zinc/99/66/87/948996687.db2.gz PKEOGHUJUISEMB-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574926396 948996698 /nfs/dbraw/zinc/99/66/98/948996698.db2.gz PKEOGHUJUISEMB-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573774091 948999160 /nfs/dbraw/zinc/99/91/60/948999160.db2.gz KBKQWQWELADBPO-CYBMUJFWSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)c1nnsc1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574440473 949028765 /nfs/dbraw/zinc/02/87/65/949028765.db2.gz PMCGBYRZGNRPAX-SECBINFHSA-N 0 1 388.461 0.886 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574926981 949029237 /nfs/dbraw/zinc/02/92/37/949029237.db2.gz DVLLRNVJAITRRY-NSHDSACASA-N 0 1 391.451 0.762 20 0 GCADMN C[C@H](CNC(=O)CN1CCCC1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926923 949029717 /nfs/dbraw/zinc/02/97/17/949029717.db2.gz ZTWSHDLBBXRUME-LLVKDONJSA-N 0 1 378.868 0.952 20 0 GCADMN CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574440658 949034940 /nfs/dbraw/zinc/03/49/40/949034940.db2.gz BDGYUSANKQEFPV-LBPRGKRZSA-N 0 1 385.428 0.945 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602786480 971535293 /nfs/dbraw/zinc/53/52/93/971535293.db2.gz UABBZGPXYADDLX-XGKMFUNXSA-N 0 1 390.436 0.706 20 0 GCADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[C@H]1CCCCO1 ZINC001573775666 949048701 /nfs/dbraw/zinc/04/87/01/949048701.db2.gz ZRZZCMKRGGHDEK-SWLSCSKDSA-N 0 1 389.460 0.168 20 0 GCADMN C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574927827 949049510 /nfs/dbraw/zinc/04/95/10/949049510.db2.gz LPYRBIRVHMNECE-ZDUSSCGKSA-N 0 1 378.440 0.663 20 0 GCADMN C[C@@H](CN(C)C(=O)C(=O)NCC1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574693330 949053688 /nfs/dbraw/zinc/05/36/88/949053688.db2.gz GSUGEYBMRXALKH-NSHDSACASA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574928308 949058402 /nfs/dbraw/zinc/05/84/02/949058402.db2.gz OPNZFWHKTVBJPV-JTQLQIEISA-N 0 1 379.490 0.685 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574928308 949058385 /nfs/dbraw/zinc/05/83/85/949058385.db2.gz OPNZFWHKTVBJPV-JTQLQIEISA-N 0 1 379.490 0.685 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575504481 949072052 /nfs/dbraw/zinc/07/20/52/949072052.db2.gz VMMUCUVOKYPSKO-ZZKXABKFSA-N 0 1 381.400 0.025 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575504495 949075725 /nfs/dbraw/zinc/07/57/25/949075725.db2.gz WCAMPXXGKJFTSF-LBPRGKRZSA-N 0 1 383.416 0.414 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574929091 949076462 /nfs/dbraw/zinc/07/64/62/949076462.db2.gz YCXLGYNAZFCICZ-GFCCVEGCSA-N 0 1 388.476 0.755 20 0 GCADMN C[C@H](CNC(=O)CN1CCOCC1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574929135 949078951 /nfs/dbraw/zinc/07/89/51/949078951.db2.gz ZCHFCLBRUAJSND-CYBMUJFWSA-N 0 1 391.451 0.275 20 0 GCADMN C[C@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574694678 949086422 /nfs/dbraw/zinc/08/64/22/949086422.db2.gz UKEYSKGQODYBDV-CYBMUJFWSA-N 0 1 388.476 0.053 20 0 GCADMN C[C@@H](CN(C)C(=O)C(C)(C)N1CCOCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574694679 949087642 /nfs/dbraw/zinc/08/76/42/949087642.db2.gz UKEYSKGQODYBDV-ZDUSSCGKSA-N 0 1 388.476 0.053 20 0 GCADMN C[C@H](CCS(C)(=O)=O)NC(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001574694704 949093291 /nfs/dbraw/zinc/09/32/91/949093291.db2.gz UVZADXJFQCHFGI-RXMQYKEDSA-N 0 1 379.855 0.921 20 0 GCADMN C[C@@H](CNC(=O)COC[C@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574931169 949113709 /nfs/dbraw/zinc/11/37/09/949113709.db2.gz OCDXLZXQBNKLEA-SWLSCSKDSA-N 0 1 392.435 0.796 20 0 GCADMN CC(C)c1ocnc1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001574446039 949119435 /nfs/dbraw/zinc/11/94/35/949119435.db2.gz GHUHJTGQSPSPHR-UHFFFAOYSA-N 0 1 386.416 0.342 20 0 GCADMN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574932066 949130626 /nfs/dbraw/zinc/13/06/26/949130626.db2.gz UNZHKGQIWLJIKK-SMDDNHRTSA-N 0 1 378.408 0.406 20 0 GCADMN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932371 949141813 /nfs/dbraw/zinc/14/18/13/949141813.db2.gz YNUJOYQPXHZRIT-NWDGAFQWSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932371 949141825 /nfs/dbraw/zinc/14/18/25/949141825.db2.gz YNUJOYQPXHZRIT-NWDGAFQWSA-N 0 1 380.474 0.670 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573786830 949149505 /nfs/dbraw/zinc/14/95/05/949149505.db2.gz DWDSIHOPEBZYPG-JOCQHMNTSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nnn[n-]4)n3)C[C@H]21)[NH+]1CCCC1 ZINC001573786815 949151038 /nfs/dbraw/zinc/15/10/38/949151038.db2.gz DFAXSHRBWXDSLH-JYAVWHMHSA-N 0 1 383.460 0.082 20 0 GCADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21)[NH+]1CCCC1 ZINC001573786815 949151044 /nfs/dbraw/zinc/15/10/44/949151044.db2.gz DFAXSHRBWXDSLH-JYAVWHMHSA-N 0 1 383.460 0.082 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574697759 949161160 /nfs/dbraw/zinc/16/11/60/949161160.db2.gz BOOVUXHUQGRMHS-WDEREUQCSA-N 0 1 385.432 0.373 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCC1 ZINC001573787215 949170518 /nfs/dbraw/zinc/17/05/18/949170518.db2.gz POUHPQJZNLTRRN-BETUJISGSA-N 0 1 385.476 0.980 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCC1 ZINC001573787215 949170526 /nfs/dbraw/zinc/17/05/26/949170526.db2.gz POUHPQJZNLTRRN-BETUJISGSA-N 0 1 385.476 0.980 20 0 GCADMN CC(C)[C@@H]1N(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC12CCOCC2 ZINC001574099120 949171258 /nfs/dbraw/zinc/17/12/58/949171258.db2.gz ICZQXUBXNWPJND-LBPRGKRZSA-N 0 1 375.437 0.305 20 0 GCADMN CC(C)[C@H]1N(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)CC12CCOCC2 ZINC001574099119 949171859 /nfs/dbraw/zinc/17/18/59/949171859.db2.gz ICZQXUBXNWPJND-GFCCVEGCSA-N 0 1 375.437 0.305 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001574698114 949176526 /nfs/dbraw/zinc/17/65/26/949176526.db2.gz GDVFWRDRCJDUHK-WDEREUQCSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001574698114 949176534 /nfs/dbraw/zinc/17/65/34/949176534.db2.gz GDVFWRDRCJDUHK-WDEREUQCSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575253180 949182901 /nfs/dbraw/zinc/18/29/01/949182901.db2.gz SVLDOTBVZMNPAT-OLZOCXBDSA-N 0 1 387.492 0.648 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253177 949184146 /nfs/dbraw/zinc/18/41/46/949184146.db2.gz SVLDOTBVZMNPAT-CHWSQXEVSA-N 0 1 387.492 0.648 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C1CCOCC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575253413 949186215 /nfs/dbraw/zinc/18/62/15/949186215.db2.gz TVPVMCNYKDONPB-VXGBXAGGSA-N 0 1 388.476 0.837 20 0 GCADMN C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccncc1-c1nn[nH]n1 ZINC001574936869 949221507 /nfs/dbraw/zinc/22/15/07/949221507.db2.gz LRWBKTMZLPCPGP-LLVKDONJSA-N 0 1 382.428 0.956 20 0 GCADMN C[C@@H]1CCC[C@@]1(C)C(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576151532 949228539 /nfs/dbraw/zinc/22/85/39/949228539.db2.gz GGYQKACMGLEMAD-FZKQIMNGSA-N 0 1 388.476 0.792 20 0 GCADMN C[C@H](CNC(=O)Cc1c[nH]c2ccccc12)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574937691 949231209 /nfs/dbraw/zinc/23/12/09/949231209.db2.gz PRWSYNNEUPMQES-LBPRGKRZSA-N 0 1 391.439 0.967 20 0 GCADMN CC(C)c1oncc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574451521 949232980 /nfs/dbraw/zinc/23/29/80/949232980.db2.gz QUOVHMHIYQLZNU-GFCCVEGCSA-N 0 1 383.416 0.811 20 0 GCADMN C[C@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574938065 949234697 /nfs/dbraw/zinc/23/46/97/949234697.db2.gz RGKBJQVKUHEENF-JTQLQIEISA-N 0 1 388.382 0.764 20 0 GCADMN C[C@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574940256 949257377 /nfs/dbraw/zinc/25/73/77/949257377.db2.gz CQXGWWUYGXGGLF-LLVKDONJSA-N 0 1 380.412 0.173 20 0 GCADMN CC(C)n1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574453021 949277459 /nfs/dbraw/zinc/27/74/59/949277459.db2.gz WBRVZZDUCTXASQ-CYBMUJFWSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001575257818 949283168 /nfs/dbraw/zinc/28/31/68/949283168.db2.gz BXXFUJFYFAOXMQ-LBPRGKRZSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575257648 949283893 /nfs/dbraw/zinc/28/38/93/949283893.db2.gz BQBMZNMCBOIAOF-CHWSQXEVSA-N 0 1 385.428 0.871 20 0 GCADMN CC(C)n1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)cn1 ZINC001574455358 949303399 /nfs/dbraw/zinc/30/33/99/949303399.db2.gz OUINHMXSEGMYNO-YPMHNXCESA-N 0 1 382.432 0.831 20 0 GCADMN CC(C)(C)C(=O)C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001573793773 949306710 /nfs/dbraw/zinc/30/67/10/949306710.db2.gz YXHRPNXFEFCYLD-ZMZPIMSZSA-N 0 1 384.444 0.557 20 0 GCADMN CC(C)(C)C(=O)N1CCOC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001573794041 949313805 /nfs/dbraw/zinc/31/38/05/949313805.db2.gz AONVZEGHKRPWES-UHFFFAOYSA-N 0 1 386.460 0.901 20 0 GCADMN CC(C)n1ccc(CC(=O)NC[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574941729 949315345 /nfs/dbraw/zinc/31/53/45/949315345.db2.gz GSBJVTKBWPHJRT-LBPRGKRZSA-N 0 1 384.448 0.263 20 0 GCADMN C[C@H](NC(=O)C1CCCC1)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575258750 949315462 /nfs/dbraw/zinc/31/54/62/949315462.db2.gz JWRAORAUUMHJNX-LBPRGKRZSA-N 0 1 386.460 0.509 20 0 GCADMN CC(C)n1ccc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574457240 949316865 /nfs/dbraw/zinc/31/68/65/949316865.db2.gz DGVQKHWWMAROHQ-GFCCVEGCSA-N 0 1 382.432 0.430 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574703332 949321298 /nfs/dbraw/zinc/32/12/98/949321298.db2.gz UOHXMOZRBHKENU-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCC(=O)NC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574703332 949321318 /nfs/dbraw/zinc/32/13/18/949321318.db2.gz UOHXMOZRBHKENU-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574458799 949348614 /nfs/dbraw/zinc/34/86/14/949348614.db2.gz YSBYSKDTWNHXNT-GFCCVEGCSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703956 949359965 /nfs/dbraw/zinc/35/99/65/949359965.db2.gz IICUPUKMDPTBGC-FZMZJTMJSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574703955 949360309 /nfs/dbraw/zinc/36/03/09/949360309.db2.gz IICUPUKMDPTBGC-BXUZGUMPSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cnon1 ZINC001576154826 949367055 /nfs/dbraw/zinc/36/70/55/949367055.db2.gz FMVACIAFZGGPLB-QFYYESIMSA-N 0 1 384.404 0.252 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccn(C)n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574943036 949369858 /nfs/dbraw/zinc/36/98/58/949369858.db2.gz VHBFMYXAQZIKHV-ZETCQYMHSA-N 0 1 381.853 0.869 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574704347 949382662 /nfs/dbraw/zinc/38/26/62/949382662.db2.gz MTTMBIDALVPBGV-GHMZBOCLSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574704347 949382686 /nfs/dbraw/zinc/38/26/86/949382686.db2.gz MTTMBIDALVPBGV-GHMZBOCLSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](NC(=O)CC(C)(C)C)C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575263086 949386224 /nfs/dbraw/zinc/38/62/24/949386224.db2.gz DMZDUOZHRHMTRM-NWDGAFQWSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CCCCN1C)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575263107 949386885 /nfs/dbraw/zinc/38/68/85/949386885.db2.gz DQHGJQFLXJYSCA-NHYWBVRUSA-N 0 1 386.460 0.256 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574463909 949391940 /nfs/dbraw/zinc/39/19/40/949391940.db2.gz AXLJWACEXQRKJK-GFCCVEGCSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@@H](NC(=O)[C@H]1COC(=O)N1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263716 949403421 /nfs/dbraw/zinc/40/34/21/949403421.db2.gz IYDBQVGXDLKZQN-YMTOWFKASA-N 0 1 389.391 0.051 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCOC1 ZINC001575533164 949410522 /nfs/dbraw/zinc/41/05/22/949410522.db2.gz DRCYDXGMQZLFOY-JCGVRSQUSA-N 0 1 384.444 0.653 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574464343 949411637 /nfs/dbraw/zinc/41/16/37/949411637.db2.gz LPSWCEMSPVNPHY-GFCCVEGCSA-N 0 1 382.432 0.690 20 0 GCADMN CC(C)n1cnc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574464372 949411667 /nfs/dbraw/zinc/41/16/67/949411667.db2.gz MHWAJZLCCRJSCR-LBPRGKRZSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](CNC(=O)Cc1nnc[nH]1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574945548 949416248 /nfs/dbraw/zinc/41/62/48/949416248.db2.gz LYVQDUVOXCJOCK-QMMMGPOBSA-N 0 1 376.812 0.440 20 0 GCADMN C[C@H](NC(=O)[C@H]1COCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264956 949437052 /nfs/dbraw/zinc/43/70/52/949437052.db2.gz RFNMGOQRUFMILY-GXFFZTMASA-N 0 1 378.458 0.280 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)c1 ZINC001574468025 949454190 /nfs/dbraw/zinc/45/41/90/949454190.db2.gz FDSHLEVKMNMHNU-VIKVFOODSA-N 0 1 379.428 0.904 20 0 GCADMN C[C@]1(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CCNC(=O)C1 ZINC001575535746 949454445 /nfs/dbraw/zinc/45/44/45/949454445.db2.gz ANDJJZGHHAKZFU-SFHVURJKSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccncc1-c1nn[nH]n1 ZINC001574948239 949459678 /nfs/dbraw/zinc/45/96/78/949459678.db2.gz GZKXAFGVXOQZPK-NSHDSACASA-N 0 1 382.432 0.017 20 0 GCADMN C[C@@H](NC(=O)[C@H]1CCNC(=O)C1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575266192 949472998 /nfs/dbraw/zinc/47/29/98/949472998.db2.gz XWEXMFUZSDCNMB-MNOVXSKESA-N 0 1 389.485 0.391 20 0 GCADMN CC[C@@H](C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001589626479 949482273 /nfs/dbraw/zinc/48/22/73/949482273.db2.gz KMUNDJUGDYMNGT-UAGQMJEPSA-N 0 1 395.500 0.800 20 0 GCADMN CC[C@@H](C(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001589626479 949482288 /nfs/dbraw/zinc/48/22/88/949482288.db2.gz KMUNDJUGDYMNGT-UAGQMJEPSA-N 0 1 395.500 0.800 20 0 GCADMN C[C@@H](CNC(=O)Cn1cncn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949161 949486922 /nfs/dbraw/zinc/48/69/22/949486922.db2.gz RJDFKIDWKWJAIZ-ZETCQYMHSA-N 0 1 382.841 0.209 20 0 GCADMN CC(C)CC(=O)NCCC(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574118005 949487744 /nfs/dbraw/zinc/48/77/44/949487744.db2.gz CPUDWZABUCDECQ-CYBMUJFWSA-N 0 1 388.476 0.755 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccncc1-c1nn[nH]n1 ZINC001574708234 949489738 /nfs/dbraw/zinc/48/97/38/949489738.db2.gz UMFVUOPCLLAFCO-QWRGUYRKSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCCc2nn[nH]c21)Nc1ccncc1-c1nn[nH]n1 ZINC001574708233 949489962 /nfs/dbraw/zinc/48/99/62/949489962.db2.gz UMFVUOPCLLAFCO-MNOVXSKESA-N 0 1 382.432 0.181 20 0 GCADMN C[C@@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccncc1-c1nn[nH]n1 ZINC001574949339 949490905 /nfs/dbraw/zinc/49/09/05/949490905.db2.gz UHVRQLQTKOCFCS-SNVBAGLBSA-N 0 1 375.824 0.398 20 0 GCADMN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574949564 949499267 /nfs/dbraw/zinc/49/92/67/949499267.db2.gz XWMJZNIULUWBNZ-NSHDSACASA-N 0 1 382.432 0.372 20 0 GCADMN CC(C)n1ncnc1CNC1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001574470379 949499963 /nfs/dbraw/zinc/49/99/63/949499963.db2.gz BUINNKWQCMVXLM-UHFFFAOYSA-N 0 1 384.448 0.762 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)NC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574708856 949502311 /nfs/dbraw/zinc/50/23/11/949502311.db2.gz XWGKHXBAKROFQS-RISCZKNCSA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574121934 949515190 /nfs/dbraw/zinc/51/51/90/949515190.db2.gz RVLXJXWQLQWGNO-STQMWFEESA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnon1 ZINC001576159965 949519152 /nfs/dbraw/zinc/51/91/52/949519152.db2.gz YFPQGFUBLJLJHP-PIGZYNQJSA-N 0 1 383.416 0.857 20 0 GCADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[NH+](C)C ZINC001576159461 949521983 /nfs/dbraw/zinc/52/19/83/949521983.db2.gz XJTWROLGKNERAU-ACJLOTCBSA-N 0 1 387.492 0.507 20 0 GCADMN CC(C)(C)[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)CN1CCCC1 ZINC001573808715 949524856 /nfs/dbraw/zinc/52/48/56/949524856.db2.gz IRWSZZLWSGFZPL-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574950209 949533152 /nfs/dbraw/zinc/53/31/52/949533152.db2.gz MQMJGNXHQWLHRF-HZMBPMFUSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1COc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711487 949542506 /nfs/dbraw/zinc/54/25/06/949542506.db2.gz HTIGXQWSGMTNGN-DGCLKSJQSA-N 0 1 380.412 0.514 20 0 GCADMN C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574471899 949543256 /nfs/dbraw/zinc/54/32/56/949543256.db2.gz OVEYMQLVVIMPDP-HIFPTAJRSA-N 0 1 382.432 0.328 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(F)CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872396 949546177 /nfs/dbraw/zinc/54/61/77/949546177.db2.gz IUWYKGSLBDDZJX-VXGBXAGGSA-N 0 1 390.423 0.649 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574950795 949546713 /nfs/dbraw/zinc/54/67/13/949546713.db2.gz UMIAPPDMJTVIJF-BQBZGAKWSA-N 0 1 384.853 0.196 20 0 GCADMN C[C@@H]1CCCCN1C(=O)CNC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001576164489 949554867 /nfs/dbraw/zinc/55/48/67/949554867.db2.gz GQGBCGVJXGWPJQ-GFCCVEGCSA-N 0 1 386.460 0.448 20 0 GCADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574951420 949556515 /nfs/dbraw/zinc/55/65/15/949556515.db2.gz ZZBICFAIYZAMQL-DOMZBBRYSA-N 0 1 386.460 0.602 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872941 949560974 /nfs/dbraw/zinc/56/09/74/949560974.db2.gz MHNMDMLWCDVZFZ-JSGCOSHPSA-N 0 1 386.460 0.947 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001574711973 949563303 /nfs/dbraw/zinc/56/33/03/949563303.db2.gz OUZMOEBYPKCCSJ-CYBMUJFWSA-N 0 1 387.492 0.458 20 0 GCADMN C[C@H](CC(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574475564 949570902 /nfs/dbraw/zinc/57/09/02/949570902.db2.gz BGTHIGAGHGHFPE-LLVKDONJSA-N 0 1 389.464 0.027 20 0 GCADMN C[C@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270181 949577805 /nfs/dbraw/zinc/57/78/05/949577805.db2.gz BQCWABSGRIVGOZ-STQMWFEESA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873309 949578659 /nfs/dbraw/zinc/57/86/59/949578659.db2.gz BFJLXGJUOXJHAK-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873309 949578674 /nfs/dbraw/zinc/57/86/74/949578674.db2.gz BFJLXGJUOXJHAK-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574956759 949589569 /nfs/dbraw/zinc/58/95/69/949589569.db2.gz NFHRGYNPGYKXMF-ABAIWWIYSA-N 0 1 384.444 0.001 20 0 GCADMN CC(C)C[C@@H](C(N)=O)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001574125551 949590632 /nfs/dbraw/zinc/59/06/32/949590632.db2.gz SMFGMWAMSKDNFS-LBPRGKRZSA-N 0 1 391.501 0.814 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001573811316 949597356 /nfs/dbraw/zinc/59/73/56/949597356.db2.gz JYHMMABLELLBDU-PWSUYJOCSA-N 0 1 392.489 0.230 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001573811316 949597374 /nfs/dbraw/zinc/59/73/74/949597374.db2.gz JYHMMABLELLBDU-PWSUYJOCSA-N 0 1 392.489 0.230 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574957043 949598004 /nfs/dbraw/zinc/59/80/04/949598004.db2.gz RAPFSTNZNVVMTD-HZMBPMFUSA-N 0 1 375.408 0.221 20 0 GCADMN CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574126089 949600921 /nfs/dbraw/zinc/60/09/21/949600921.db2.gz ZGSCYDHKKYNPDW-NDBYEHHHSA-N 0 1 399.459 0.030 20 0 GCADMN CC(C)C[C@@H](C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001574126090 949600981 /nfs/dbraw/zinc/60/09/81/949600981.db2.gz ZGSCYDHKKYNPDW-VOAKCMCISA-N 0 1 399.459 0.030 20 0 GCADMN CC(C)C[C@H](C(N)=O)C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001574126031 949602272 /nfs/dbraw/zinc/60/22/72/949602272.db2.gz WWSZTJNIRGGGNP-CYBMUJFWSA-N 0 1 388.476 0.694 20 0 GCADMN CC(C)(C)[C@H](CNCc1cnns1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573811576 949602922 /nfs/dbraw/zinc/60/29/22/949602922.db2.gz LZNZDAAATQGFDA-LBPRGKRZSA-N 0 1 375.462 0.981 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874238 949605869 /nfs/dbraw/zinc/60/58/69/949605869.db2.gz SKJALCLEHNHDDB-STQMWFEESA-N 0 1 385.476 0.615 20 0 GCADMN CC1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575546453 949610176 /nfs/dbraw/zinc/61/01/76/949610176.db2.gz QLAJQYQCKVYUDU-CYBMUJFWSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@H](NC(=O)CCCc1cccnc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575271062 949611374 /nfs/dbraw/zinc/61/13/74/949611374.db2.gz HUASLBCHWLWPRB-QWHCGFSZSA-N 0 1 381.444 0.802 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCCc1cccnc1 ZINC001575271061 949611896 /nfs/dbraw/zinc/61/18/96/949611896.db2.gz HUASLBCHWLWPRB-OLZOCXBDSA-N 0 1 381.444 0.802 20 0 GCADMN C[C@]1(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCCOC1 ZINC001575547225 949621942 /nfs/dbraw/zinc/62/19/42/949621942.db2.gz WDRWADVNHGSHLK-UGSOOPFHSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575875202 949628343 /nfs/dbraw/zinc/62/83/43/949628343.db2.gz VLHZKOYHOBTJDW-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H](NC(=O)CCNC(N)=O)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575272085 949633700 /nfs/dbraw/zinc/63/37/00/949633700.db2.gz NHRZUHJZEJATIA-PHDIDXHHSA-N 0 1 387.857 0.340 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575875403 949634019 /nfs/dbraw/zinc/63/40/19/949634019.db2.gz WGRIXRMWKCVFRP-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575875403 949634028 /nfs/dbraw/zinc/63/40/28/949634028.db2.gz WGRIXRMWKCVFRP-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1ccncc1-c1nn[nH]n1 ZINC001574957852 949638567 /nfs/dbraw/zinc/63/85/67/949638567.db2.gz AXMADMCCRCUCRG-VHDGCEQUSA-N 0 1 385.472 0.911 20 0 GCADMN C[C@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575272142 949638764 /nfs/dbraw/zinc/63/87/64/949638764.db2.gz NZNTVEIIUUNIJK-BQBZGAKWSA-N 0 1 386.869 0.937 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575272417 949645903 /nfs/dbraw/zinc/64/59/03/949645903.db2.gz QOOZLOLEQROXHX-KBPBESRZSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575272417 949645916 /nfs/dbraw/zinc/64/59/16/949645916.db2.gz QOOZLOLEQROXHX-KBPBESRZSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575876826 949653267 /nfs/dbraw/zinc/65/32/67/949653267.db2.gz YPFSIJZSHFHBCW-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575876826 949653279 /nfs/dbraw/zinc/65/32/79/949653279.db2.gz YPFSIJZSHFHBCW-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168970 949656370 /nfs/dbraw/zinc/65/63/70/949656370.db2.gz DEXHZYSONBGNAC-JSGCOSHPSA-N 0 1 381.444 0.688 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001573815825 949658331 /nfs/dbraw/zinc/65/83/31/949658331.db2.gz KJAFGAWMGOLUGB-BPCQOVAHSA-N 0 1 388.476 0.573 20 0 GCADMN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576169033 949663484 /nfs/dbraw/zinc/66/34/84/949663484.db2.gz XCLKPYIIWTXVEK-NEPJUHHUSA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCCCC(N)=O ZINC001573816006 949666973 /nfs/dbraw/zinc/66/69/73/949666973.db2.gz OETPGRVSGOPIDN-LLVKDONJSA-N 0 1 389.464 0.067 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CCc1cnc[nH]1 ZINC001573815932 949667758 /nfs/dbraw/zinc/66/77/58/949667758.db2.gz LZXYIIPTFUGRAC-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(F)CCOCC1 ZINC001573816008 949669599 /nfs/dbraw/zinc/66/95/99/949669599.db2.gz OHCXKQJUZLYFEX-LLVKDONJSA-N 0 1 392.439 0.540 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001573816133 949669980 /nfs/dbraw/zinc/66/99/80/949669980.db2.gz OOXHPQXHKHWADW-LBPRGKRZSA-N 0 1 384.448 0.377 20 0 GCADMN C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(N)=O ZINC001574477670 949670803 /nfs/dbraw/zinc/67/08/03/949670803.db2.gz UEKDQOWOTZZAEF-NSHDSACASA-N 0 1 392.439 0.343 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575878208 949676122 /nfs/dbraw/zinc/67/61/22/949676122.db2.gz NWPOSHLGHXFHHA-RISCZKNCSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575878806 949680507 /nfs/dbraw/zinc/68/05/07/949680507.db2.gz PGKWKHJAHGJGJM-DGCLKSJQSA-N 0 1 383.416 0.751 20 0 GCADMN C[C@@H]1CCCN(C(=O)C(N)=O)[C@H]1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001576169521 949680891 /nfs/dbraw/zinc/68/08/91/949680891.db2.gz YLHJYIJYIIIXCT-YGRLFVJLSA-N 0 1 375.408 0.208 20 0 GCADMN C[C@H](NC(=O)CCc1cnc[nH]1)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575274564 949689395 /nfs/dbraw/zinc/68/93/95/949689395.db2.gz ALRDDSDEBXZTFL-JTQLQIEISA-N 0 1 383.416 0.127 20 0 GCADMN C[C@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@@H]1CCCO1 ZINC001574478205 949703074 /nfs/dbraw/zinc/70/30/74/949703074.db2.gz WGLHEJFMFXBWOM-CJNGLKHVSA-N 0 1 389.460 0.122 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cccnc1 ZINC001573817763 949705677 /nfs/dbraw/zinc/70/56/77/949705677.db2.gz AUUHWKNWWPDSMW-ZDUSSCGKSA-N 0 1 381.444 0.659 20 0 GCADMN C[C@@H](NC(=O)CCc1nc[nH]n1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575276144 949710859 /nfs/dbraw/zinc/71/08/59/949710859.db2.gz HAAZCGPDWOYLGN-BDAKNGLRSA-N 0 1 390.839 0.971 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2nc[nH]n2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575881258 949711668 /nfs/dbraw/zinc/71/16/68/949711668.db2.gz WVTGEHHNMPTCJZ-WCQYABFASA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575881274 949712225 /nfs/dbraw/zinc/71/22/25/949712225.db2.gz XAMBGHSCNXUBMM-OCCSQVGLSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881274 949712245 /nfs/dbraw/zinc/71/22/45/949712245.db2.gz XAMBGHSCNXUBMM-OCCSQVGLSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881274 949712264 /nfs/dbraw/zinc/71/22/64/949712264.db2.gz XAMBGHSCNXUBMM-OCCSQVGLSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574133480 949714623 /nfs/dbraw/zinc/71/46/23/949714623.db2.gz FATFSVYDJIQGDK-KGLIPLIRSA-N 0 1 375.477 0.987 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccco2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170494 949716742 /nfs/dbraw/zinc/71/67/42/949716742.db2.gz LJHVIPLRXQCNFK-GXTWGEPZSA-N 0 1 382.428 0.953 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1COC(=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716951 949718425 /nfs/dbraw/zinc/71/84/25/949718425.db2.gz MSDPQJQZMXYHKW-NEPJUHHUSA-N 0 1 390.419 0.896 20 0 GCADMN C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001574478846 949721904 /nfs/dbraw/zinc/72/19/04/949721904.db2.gz BJTFICZQMDUDCO-TZMCWYRMSA-N 0 1 386.460 0.687 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717132 949726608 /nfs/dbraw/zinc/72/66/08/949726608.db2.gz URIFAWOVMGCNQL-QWRGUYRKSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717132 949726616 /nfs/dbraw/zinc/72/66/16/949726616.db2.gz URIFAWOVMGCNQL-QWRGUYRKSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717130 949727276 /nfs/dbraw/zinc/72/72/76/949727276.db2.gz URIFAWOVMGCNQL-GHMZBOCLSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717130 949727298 /nfs/dbraw/zinc/72/72/98/949727298.db2.gz URIFAWOVMGCNQL-GHMZBOCLSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](NC(=O)CCOC1CCOCC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575276768 949729088 /nfs/dbraw/zinc/72/90/88/949729088.db2.gz LBBDTUFVVIKOOT-QWHCGFSZSA-N 0 1 389.460 0.574 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574717682 949737687 /nfs/dbraw/zinc/73/76/87/949737687.db2.gz WJHYIVJUQAWBSZ-OLZOCXBDSA-N 0 1 383.460 0.870 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574962865 949741770 /nfs/dbraw/zinc/74/17/70/949741770.db2.gz DCCNTWHPIONBOS-TUAOUCFPSA-N 0 1 391.501 0.766 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574962865 949741781 /nfs/dbraw/zinc/74/17/81/949741781.db2.gz DCCNTWHPIONBOS-TUAOUCFPSA-N 0 1 391.501 0.766 20 0 GCADMN C[C@H]1CCCN(C(=O)CNC2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001576170914 949742573 /nfs/dbraw/zinc/74/25/73/949742573.db2.gz OJBILJMTHZBFII-LBPRGKRZSA-N 0 1 386.460 0.305 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575558767 949743020 /nfs/dbraw/zinc/74/30/20/949743020.db2.gz RVMFXMMOUZHIAV-KZULUSFZSA-N 0 1 388.476 0.838 20 0 GCADMN CC(C)(C)[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573818995 949743757 /nfs/dbraw/zinc/74/37/57/949743757.db2.gz QKABUXORMBLHQF-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)(C)[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573818995 949743779 /nfs/dbraw/zinc/74/37/79/949743779.db2.gz QKABUXORMBLHQF-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574962923 949746732 /nfs/dbraw/zinc/74/67/32/949746732.db2.gz FLUBMKDPLKZPMU-WZRBSPASSA-N 0 1 389.435 0.502 20 0 GCADMN C[C@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575882001 949746967 /nfs/dbraw/zinc/74/69/67/949746967.db2.gz FDPCXIKONPRSTA-JQWIXIFHSA-N 0 1 385.407 0.840 20 0 GCADMN C[C@H](CC(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574480221 949747587 /nfs/dbraw/zinc/74/75/87/949747587.db2.gz HLRGXXKRLYUIAQ-SNVBAGLBSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)NC(N)=O ZINC001574480221 949747601 /nfs/dbraw/zinc/74/76/01/949747601.db2.gz HLRGXXKRLYUIAQ-SNVBAGLBSA-N 0 1 392.489 0.456 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1COCCO1 ZINC001573819267 949750279 /nfs/dbraw/zinc/75/02/79/949750279.db2.gz SAAPCTRDBGBGHK-KBPBESRZSA-N 0 1 375.433 0.042 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574480444 949751290 /nfs/dbraw/zinc/75/12/90/949751290.db2.gz ILYRGNXNANQZRU-JSGCOSHPSA-N 0 1 379.428 0.680 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574480504 949752868 /nfs/dbraw/zinc/75/28/68/949752868.db2.gz JHUQCJFFITWHRV-VHSXEESVSA-N 0 1 384.366 0.928 20 0 GCADMN C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171498 949765686 /nfs/dbraw/zinc/76/56/86/949765686.db2.gz RGQCZJUXEVROJE-RLPMIEJPSA-N 0 1 384.444 0.010 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481389 949777027 /nfs/dbraw/zinc/77/70/27/949777027.db2.gz PCQGFTFNBJLUOD-MNOVXSKESA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574481389 949777049 /nfs/dbraw/zinc/77/70/49/949777049.db2.gz PCQGFTFNBJLUOD-MNOVXSKESA-N 0 1 392.489 0.313 20 0 GCADMN C[C@]1(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)CCOC1 ZINC001575560569 949793020 /nfs/dbraw/zinc/79/30/20/949793020.db2.gz SDUDLYNSUTXCAI-PXAZEXFGSA-N 0 1 384.444 0.558 20 0 GCADMN C[C@H](CNC(=O)c1c(C2CC2)cnn1C)CNc1ccncc1-c1nn[nH]n1 ZINC001574965637 949807321 /nfs/dbraw/zinc/80/73/21/949807321.db2.gz IKQBNXNOLZOVFA-NSHDSACASA-N 0 1 381.444 0.773 20 0 GCADMN C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172545 949807099 /nfs/dbraw/zinc/80/70/99/949807099.db2.gz WUDBPGHQEQTGDL-KGLIPLIRSA-N 0 1 387.492 0.459 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574965760 949810629 /nfs/dbraw/zinc/81/06/29/949810629.db2.gz LNYNWAUQJMUJTL-VOJFVSQTSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481925 949811144 /nfs/dbraw/zinc/81/11/44/949811144.db2.gz XQKMRGRPOIUYCA-UWVGGRQHSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574481925 949811166 /nfs/dbraw/zinc/81/11/66/949811166.db2.gz XQKMRGRPOIUYCA-UWVGGRQHSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574965797 949817268 /nfs/dbraw/zinc/81/72/68/949817268.db2.gz LYSXNMBIZQVSHS-QGHHPUGFSA-N 0 1 375.408 0.269 20 0 GCADMN C[C@@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574721514 949822746 /nfs/dbraw/zinc/82/27/46/949822746.db2.gz MUULJMXEQYLCNE-LBPRGKRZSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574721514 949822764 /nfs/dbraw/zinc/82/27/64/949822764.db2.gz MUULJMXEQYLCNE-LBPRGKRZSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576172952 949825952 /nfs/dbraw/zinc/82/59/52/949825952.db2.gz ZUQPUTSHNPOPCS-YIUHCBHRSA-N 0 1 383.456 0.615 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575883660 949826893 /nfs/dbraw/zinc/82/68/93/949826893.db2.gz SCBSITHUHVGBFI-YPMHNXCESA-N 0 1 382.432 0.106 20 0 GCADMN C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172919 949827626 /nfs/dbraw/zinc/82/76/26/949827626.db2.gz ZMXWYBZMXGIXGB-HIFRSBDPSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](NC(=O)CN1CCCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575282446 949840057 /nfs/dbraw/zinc/84/00/57/949840057.db2.gz BOGPOFKEFXOJAD-CHWSQXEVSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574722559 949842806 /nfs/dbraw/zinc/84/28/06/949842806.db2.gz UXKLLNCRVAUBBW-JTQLQIEISA-N 0 1 386.503 0.299 20 0 GCADMN C[C@@H](CN(C)C(=O)CCS(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574722559 949842831 /nfs/dbraw/zinc/84/28/31/949842831.db2.gz UXKLLNCRVAUBBW-JTQLQIEISA-N 0 1 386.503 0.299 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574483959 949849077 /nfs/dbraw/zinc/84/90/77/949849077.db2.gz AONXUJZIRRPILP-CHWSQXEVSA-N 0 1 382.432 0.329 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282988 949849536 /nfs/dbraw/zinc/84/95/36/949849536.db2.gz DOARXABDJUUDKX-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282988 949849555 /nfs/dbraw/zinc/84/95/55/949849555.db2.gz DOARXABDJUUDKX-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282988 949849574 /nfs/dbraw/zinc/84/95/74/949849574.db2.gz DOARXABDJUUDKX-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282988 949849587 /nfs/dbraw/zinc/84/95/87/949849587.db2.gz DOARXABDJUUDKX-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282986 949850872 /nfs/dbraw/zinc/85/08/72/949850872.db2.gz DOARXABDJUUDKX-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282986 949850891 /nfs/dbraw/zinc/85/08/91/949850891.db2.gz DOARXABDJUUDKX-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282986 949850914 /nfs/dbraw/zinc/85/09/14/949850914.db2.gz DOARXABDJUUDKX-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282986 949850943 /nfs/dbraw/zinc/85/09/43/949850943.db2.gz DOARXABDJUUDKX-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)C1CC1 ZINC001575282969 949851669 /nfs/dbraw/zinc/85/16/69/949851669.db2.gz CZBGECIWTNRPBX-NEPJUHHUSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574723651 949858899 /nfs/dbraw/zinc/85/88/99/949858899.db2.gz ANBCXFIANKPIRO-SNVBAGLBSA-N 0 1 390.839 0.278 20 0 GCADMN C[C@@H]1CCCc2ncc(C(=O)N(C)CCNc3ccncc3-c3nn[nH]n3)n21 ZINC001576177815 949861064 /nfs/dbraw/zinc/86/10/64/949861064.db2.gz BYATVISOCLWIGU-GFCCVEGCSA-N 0 1 381.444 0.962 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574484204 949863767 /nfs/dbraw/zinc/86/37/67/949863767.db2.gz FHZRPWKDEBABNX-STQMWFEESA-N 0 1 382.432 0.329 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575283319 949864269 /nfs/dbraw/zinc/86/42/69/949864269.db2.gz FFZGMGBVKJOFAN-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283319 949864292 /nfs/dbraw/zinc/86/42/92/949864292.db2.gz FFZGMGBVKJOFAN-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283319 949864315 /nfs/dbraw/zinc/86/43/15/949864315.db2.gz FFZGMGBVKJOFAN-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283319 949864336 /nfs/dbraw/zinc/86/43/36/949864336.db2.gz FFZGMGBVKJOFAN-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283319 949864352 /nfs/dbraw/zinc/86/43/52/949864352.db2.gz FFZGMGBVKJOFAN-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)CCn1ccnn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283439 949869806 /nfs/dbraw/zinc/86/98/06/949869806.db2.gz GGCVNLUUMJGIPE-CYBMUJFWSA-N 0 1 381.444 0.485 20 0 GCADMN CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3ccncc3-c3nn[nH]n3)(C1)C2 ZINC001573825298 949871600 /nfs/dbraw/zinc/87/16/00/949871600.db2.gz QOVXNCILVRNKRP-PIHIASKNSA-N 0 1 385.472 0.789 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178038 949874717 /nfs/dbraw/zinc/87/47/17/949874717.db2.gz AOYHQWIBIYTSMX-NXEZZACHSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574724839 949876331 /nfs/dbraw/zinc/87/63/31/949876331.db2.gz KMAJFVXOGAAMCL-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574724839 949876348 /nfs/dbraw/zinc/87/63/48/949876348.db2.gz KMAJFVXOGAAMCL-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574724882 949885121 /nfs/dbraw/zinc/88/51/21/949885121.db2.gz LAVLYJZGJWTRQD-LLVKDONJSA-N 0 1 389.851 0.883 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178469 949887012 /nfs/dbraw/zinc/88/70/12/949887012.db2.gz BPPBJNHIRXNYOO-YPMHNXCESA-N 0 1 382.432 0.165 20 0 GCADMN CC(C)C[C@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574143338 949892498 /nfs/dbraw/zinc/89/24/98/949892498.db2.gz GOBLLECIUNCLGW-DOMZBBRYSA-N 0 1 388.476 0.550 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](C)C[C@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC001589667092 949897954 /nfs/dbraw/zinc/89/79/54/949897954.db2.gz HFCXCHFLRMOAJX-NSHDSACASA-N 0 1 383.449 0.337 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574725644 949903331 /nfs/dbraw/zinc/90/33/31/949903331.db2.gz UQRJFTLBSKSWPM-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574725644 949903351 /nfs/dbraw/zinc/90/33/51/949903351.db2.gz UQRJFTLBSKSWPM-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](NC(=O)CN1CCC(C)(C)C1)[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575284501 949905478 /nfs/dbraw/zinc/90/54/78/949905478.db2.gz IXMWORDPOLALEJ-VXGBXAGGSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725697 949907521 /nfs/dbraw/zinc/90/75/21/949907521.db2.gz BBZMYOFLAFPZOL-LBPRGKRZSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@@H](CN(C)C(=O)CN1CCOCC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725697 949907538 /nfs/dbraw/zinc/90/75/38/949907538.db2.gz BBZMYOFLAFPZOL-LBPRGKRZSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCNC(=O)C1 ZINC001575569154 949915827 /nfs/dbraw/zinc/91/58/27/949915827.db2.gz GWNABNBPFPUKDK-HNAYVOBHSA-N 0 1 383.456 0.474 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574484962 949916883 /nfs/dbraw/zinc/91/68/83/949916883.db2.gz SJOHPFQOJNTLQV-WDEREUQCSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574484962 949916895 /nfs/dbraw/zinc/91/68/95/949916895.db2.gz SJOHPFQOJNTLQV-WDEREUQCSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576179699 949922097 /nfs/dbraw/zinc/92/20/97/949922097.db2.gz BVQOHCPVYPQDBN-TZMCWYRMSA-N 0 1 382.428 0.811 20 0 GCADMN CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574146268 949939208 /nfs/dbraw/zinc/93/92/08/949939208.db2.gz XCMDICPYTIIKPH-MELADBBJSA-N 0 1 388.476 0.979 20 0 GCADMN C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574488069 949944351 /nfs/dbraw/zinc/94/43/51/949944351.db2.gz DBJYVHUNYKFJLO-GXTWGEPZSA-N 0 1 381.444 0.838 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575285543 949946024 /nfs/dbraw/zinc/94/60/24/949946024.db2.gz OJBFHDFBYRRXQW-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575285543 949946044 /nfs/dbraw/zinc/94/60/44/949946044.db2.gz OJBFHDFBYRRXQW-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H](CN(C)C(=O)COc1ccccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574727018 949950537 /nfs/dbraw/zinc/95/05/37/949950537.db2.gz NISZUPCFYLFWGM-LLVKDONJSA-N 0 1 386.391 0.556 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575285569 949953200 /nfs/dbraw/zinc/95/32/00/949953200.db2.gz OWBZBAZTTIAMTL-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575285569 949953221 /nfs/dbraw/zinc/95/32/21/949953221.db2.gz OWBZBAZTTIAMTL-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575285568 949954004 /nfs/dbraw/zinc/95/40/04/949954004.db2.gz OWBZBAZTTIAMTL-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575285568 949954020 /nfs/dbraw/zinc/95/40/20/949954020.db2.gz OWBZBAZTTIAMTL-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575285988 949971080 /nfs/dbraw/zinc/97/10/80/949971080.db2.gz SAIGOAKFNJTMRZ-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575285988 949971106 /nfs/dbraw/zinc/97/11/06/949971106.db2.gz SAIGOAKFNJTMRZ-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575285988 949971126 /nfs/dbraw/zinc/97/11/26/949971126.db2.gz SAIGOAKFNJTMRZ-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575285988 949971149 /nfs/dbraw/zinc/97/11/49/949971149.db2.gz SAIGOAKFNJTMRZ-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@@H](NC(=O)CN1CCCCCC1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575286390 949978975 /nfs/dbraw/zinc/97/89/75/949978975.db2.gz VUMJOWKSMAVIDX-QWHCGFSZSA-N 0 1 386.460 0.391 20 0 GCADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574490188 949979702 /nfs/dbraw/zinc/97/97/02/949979702.db2.gz 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ZINC001576196256 950352628 /nfs/dbraw/zinc/35/26/28/950352628.db2.gz BSRHZUXMSYTAQC-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576196264 950356612 /nfs/dbraw/zinc/35/66/12/950356612.db2.gz BVAKXIBRLDYGNC-CQSZACIVSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576196636 950364511 /nfs/dbraw/zinc/36/45/11/950364511.db2.gz FLTGBZJBOZIUFU-KBPBESRZSA-N 0 1 385.476 0.069 20 0 GCADMN CC1(C(=O)NC[C@@H]2COCCN2c2ccnc(-c3nn[nH]n3)n2)CCCCC1 ZINC001575595998 950367023 /nfs/dbraw/zinc/36/70/23/950367023.db2.gz RHSWRTQCUGPSPM-CYBMUJFWSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576196760 950374244 /nfs/dbraw/zinc/37/42/44/950374244.db2.gz HJICTFXEAIKJQW-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001589715562 950374213 /nfs/dbraw/zinc/37/42/13/950374213.db2.gz TVGAQRLZQXJJPL-AUUYWEPGSA-N 0 1 399.488 0.877 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576196760 950374263 /nfs/dbraw/zinc/37/42/63/950374263.db2.gz HJICTFXEAIKJQW-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576196760 950374282 /nfs/dbraw/zinc/37/42/82/950374282.db2.gz HJICTFXEAIKJQW-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576196760 950374301 /nfs/dbraw/zinc/37/43/01/950374301.db2.gz HJICTFXEAIKJQW-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576196990 950378322 /nfs/dbraw/zinc/37/83/22/950378322.db2.gz LBIBTDSULALAIK-STQMWFEESA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576196990 950378344 /nfs/dbraw/zinc/37/83/44/950378344.db2.gz LBIBTDSULALAIK-STQMWFEESA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576196990 950378365 /nfs/dbraw/zinc/37/83/65/950378365.db2.gz LBIBTDSULALAIK-STQMWFEESA-N 0 1 385.476 0.069 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001573855515 950379909 /nfs/dbraw/zinc/37/99/09/950379909.db2.gz WPFGYPOXZUOWBV-UHFFFAOYSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CS(C)(=O)=O ZINC001575908889 950383701 /nfs/dbraw/zinc/38/37/01/950383701.db2.gz WUYXAJDFRKMNME-KOLCDFICSA-N 0 1 384.487 0.052 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574502822 950389148 /nfs/dbraw/zinc/38/91/48/950389148.db2.gz QRFUMLFPNNCWBG-VXGBXAGGSA-N 0 1 387.448 0.041 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576197287 950390774 /nfs/dbraw/zinc/39/07/74/950390774.db2.gz MTSLCNYKGATMCL-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576197287 950390793 /nfs/dbraw/zinc/39/07/93/950390793.db2.gz MTSLCNYKGATMCL-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576197287 950390810 /nfs/dbraw/zinc/39/08/10/950390810.db2.gz MTSLCNYKGATMCL-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576197287 950390832 /nfs/dbraw/zinc/39/08/32/950390832.db2.gz MTSLCNYKGATMCL-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576197416 950393623 /nfs/dbraw/zinc/39/36/23/950393623.db2.gz NJDXUFOOTLYSMN-FZKQIMNGSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576197416 950393643 /nfs/dbraw/zinc/39/36/43/950393643.db2.gz NJDXUFOOTLYSMN-FZKQIMNGSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576197416 950393661 /nfs/dbraw/zinc/39/36/61/950393661.db2.gz NJDXUFOOTLYSMN-FZKQIMNGSA-N 0 1 385.476 0.071 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574162728 950399457 /nfs/dbraw/zinc/39/94/57/950399457.db2.gz HWIYZTHPCLQUFC-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574162728 950399475 /nfs/dbraw/zinc/39/94/75/950399475.db2.gz HWIYZTHPCLQUFC-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574162728 950399497 /nfs/dbraw/zinc/39/94/97/950399497.db2.gz HWIYZTHPCLQUFC-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574162728 950399518 /nfs/dbraw/zinc/39/95/18/950399518.db2.gz HWIYZTHPCLQUFC-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN C[C@@H]1[C@H](NCc2ncc(Cl)n2C)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575909551 950400505 /nfs/dbraw/zinc/40/05/05/950400505.db2.gz HKQVOCYVUOUFIB-NXEZZACHSA-N 0 1 389.851 0.975 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576197910 950401370 /nfs/dbraw/zinc/40/13/70/950401370.db2.gz PLVZAOCJWMMQET-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576197910 950401379 /nfs/dbraw/zinc/40/13/79/950401379.db2.gz PLVZAOCJWMMQET-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)Cn1cnc(-c3nn[nH]n3)n1)C2 ZINC001573857679 950406998 /nfs/dbraw/zinc/40/69/98/950406998.db2.gz WOESNEWMORWSII-MXWKQRLJSA-N 0 1 389.420 0.115 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576198445 950411175 /nfs/dbraw/zinc/41/11/75/950411175.db2.gz STIJJTYUBMIRHU-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576198445 950411186 /nfs/dbraw/zinc/41/11/86/950411186.db2.gz STIJJTYUBMIRHU-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576198445 950411197 /nfs/dbraw/zinc/41/11/97/950411197.db2.gz STIJJTYUBMIRHU-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576198445 950411210 /nfs/dbraw/zinc/41/12/10/950411210.db2.gz STIJJTYUBMIRHU-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576198866 950415565 /nfs/dbraw/zinc/41/55/65/950415565.db2.gz WASHWEZCLVDTKS-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576198866 950415575 /nfs/dbraw/zinc/41/55/75/950415575.db2.gz WASHWEZCLVDTKS-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576198866 950415587 /nfs/dbraw/zinc/41/55/87/950415587.db2.gz WASHWEZCLVDTKS-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576198866 950415596 /nfs/dbraw/zinc/41/55/96/950415596.db2.gz WASHWEZCLVDTKS-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576199504 950422523 /nfs/dbraw/zinc/42/25/23/950422523.db2.gz ZVIZQGSGIDHUQB-FZKQIMNGSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576199504 950422537 /nfs/dbraw/zinc/42/25/37/950422537.db2.gz ZVIZQGSGIDHUQB-FZKQIMNGSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)(C)OC(=O)NC1CC(CC(=O)NCCn2cnc(-c3nn[nH]n3)n2)C1 ZINC001573860325 950422772 /nfs/dbraw/zinc/42/27/72/950422772.db2.gz GCAFHLGUFJOOQZ-UHFFFAOYSA-N 0 1 391.436 0.268 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576199330 950423649 /nfs/dbraw/zinc/42/36/49/950423649.db2.gz YTRUEPXKKFXFNK-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576199330 950423666 /nfs/dbraw/zinc/42/36/66/950423666.db2.gz YTRUEPXKKFXFNK-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576199330 950423677 /nfs/dbraw/zinc/42/36/77/950423677.db2.gz YTRUEPXKKFXFNK-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576199330 950423691 /nfs/dbraw/zinc/42/36/91/950423691.db2.gz YTRUEPXKKFXFNK-SCLBCKFNSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576199304 950425126 /nfs/dbraw/zinc/42/51/26/950425126.db2.gz YHHIXYGIIWDJGS-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576199304 950425135 /nfs/dbraw/zinc/42/51/35/950425135.db2.gz YHHIXYGIIWDJGS-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)C1 ZINC001576203251 950438761 /nfs/dbraw/zinc/43/87/61/950438761.db2.gz FTSIMCMUPMOVJD-BFHYXJOUSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3cncc(-c4nnn[n-]4)n3)[C@H](C)C2)C1 ZINC001576203251 950438774 /nfs/dbraw/zinc/43/87/74/950438774.db2.gz FTSIMCMUPMOVJD-BFHYXJOUSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)C1 ZINC001576203251 950438787 /nfs/dbraw/zinc/43/87/87/950438787.db2.gz FTSIMCMUPMOVJD-BFHYXJOUSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)C1 ZINC001576203251 950438799 /nfs/dbraw/zinc/43/87/99/950438799.db2.gz FTSIMCMUPMOVJD-BFHYXJOUSA-N 0 1 385.476 0.505 20 0 GCADMN 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381.444 0.647 20 0 GCADMN CC1(C)C(C)(C)C1(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001575624901 950679344 /nfs/dbraw/zinc/67/93/44/950679344.db2.gz QFEQECDIPBCLJT-GHMZBOCLSA-N 0 1 386.460 0.395 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001575925140 950679742 /nfs/dbraw/zinc/67/97/42/950679742.db2.gz SVIBZCVHDGMLEB-JSGCOSHPSA-N 0 1 386.460 0.687 20 0 GCADMN CC(C)n1nccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001575925283 950681152 /nfs/dbraw/zinc/68/11/52/950681152.db2.gz UCJSDMHBEQHRSY-NWDGAFQWSA-N 0 1 382.432 0.571 20 0 GCADMN C[C@@H](CNC(=O)c1cc2cc(F)ccc2[nH]1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575005485 950686432 /nfs/dbraw/zinc/68/64/32/950686432.db2.gz GBNOMAGNDFCRBQ-VIFPVBQESA-N 0 1 381.375 0.929 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574760996 950689641 /nfs/dbraw/zinc/68/96/41/950689641.db2.gz PVVYMRPPSHHCKY-LBPRGKRZSA-N 0 1 381.444 0.789 20 0 GCADMN 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ZINC001575926747 950721237 /nfs/dbraw/zinc/72/12/37/950721237.db2.gz LICFFFTZBAYMDW-YPMHNXCESA-N 0 1 379.428 0.541 20 0 GCADMN CC1(C)CC(C(=O)N[C@@]2(CO)CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575628542 950723975 /nfs/dbraw/zinc/72/39/75/950723975.db2.gz FDRPOPLJVLMUJL-SFHVURJKSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216297 950727198 /nfs/dbraw/zinc/72/71/98/950727198.db2.gz HOPJPJPMWQLVPW-WDEREUQCSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575926898 950728662 /nfs/dbraw/zinc/72/86/62/950728662.db2.gz ZAFONMWUSYJUNB-JQWIXIFHSA-N 0 1 385.457 0.569 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575927021 950730778 /nfs/dbraw/zinc/73/07/78/950730778.db2.gz ZSAJGPGQOKCKHS-DTWKUNHWSA-N 0 1 390.358 0.385 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001575927063 950732455 /nfs/dbraw/zinc/73/24/55/950732455.db2.gz ZWZBBOVHWNCPGB-JQWIXIFHSA-N 0 1 390.411 0.670 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001575927062 950732565 /nfs/dbraw/zinc/73/25/65/950732565.db2.gz ZWZBBOVHWNCPGB-CMPLNLGQSA-N 0 1 390.411 0.670 20 0 GCADMN CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001573879783 950732848 /nfs/dbraw/zinc/73/28/48/950732848.db2.gz MLFUDKYAAFLWNS-SNVBAGLBSA-N 0 1 383.416 0.951 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763875 950739259 /nfs/dbraw/zinc/73/92/59/950739259.db2.gz MVABURUMELQQNW-SECBINFHSA-N 0 1 377.359 0.848 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575927329 950739300 /nfs/dbraw/zinc/73/93/00/950739300.db2.gz PBQYNRTWGNYTNB-SMDDNHRTSA-N 0 1 380.412 0.097 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574182488 950761698 /nfs/dbraw/zinc/76/16/98/950761698.db2.gz WSTZJZUFZAEXDQ-OLZOCXBDSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576217515 950762702 /nfs/dbraw/zinc/76/27/02/950762702.db2.gz IJCCPIDDCLVKFD-QWHCGFSZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576217515 950762714 /nfs/dbraw/zinc/76/27/14/950762714.db2.gz IJCCPIDDCLVKFD-QWHCGFSZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n[nH]nc2c1 ZINC001575927922 950764197 /nfs/dbraw/zinc/76/41/97/950764197.db2.gz WHEHSAVHIHEGMQ-CABZTGNLSA-N 0 1 391.399 0.065 20 0 GCADMN C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574765618 950795529 /nfs/dbraw/zinc/79/55/29/950795529.db2.gz IRANXNLXUOTSPX-SECBINFHSA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](CN(C)C(=O)c1coc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574765618 950795551 /nfs/dbraw/zinc/79/55/51/950795551.db2.gz IRANXNLXUOTSPX-SECBINFHSA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](CN(C)[C@H]1CCN(C(C)(C)C)C1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765890 950799741 /nfs/dbraw/zinc/79/97/41/950799741.db2.gz FTRNMVDVXTWMKL-RISCZKNCSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H](CN(C)[C@@H]1CCN(C(C)(C)C)C1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765887 950801614 /nfs/dbraw/zinc/80/16/14/950801614.db2.gz FTRNMVDVXTWMKL-BXUZGUMPSA-N 0 1 388.476 0.644 20 0 GCADMN CC(C)CCCC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574186465 950814045 /nfs/dbraw/zinc/81/40/45/950814045.db2.gz DSGTVGMQCXROMZ-GOSISDBHSA-N 0 1 388.476 0.670 20 0 GCADMN CC(C)CCCC(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574186689 950815880 /nfs/dbraw/zinc/81/58/80/950815880.db2.gz ILDYGHYAXHCVSZ-KGLIPLIRSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574766376 950817782 /nfs/dbraw/zinc/81/77/82/950817782.db2.gz JEFIMDYCGHGWFO-SECBINFHSA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766778 950826602 /nfs/dbraw/zinc/82/66/02/950826602.db2.gz KURSCVCGIHCOBL-JTQLQIEISA-N 0 1 383.416 0.518 20 0 GCADMN C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccnc(-c4nn[nH]n4)n3)c2C1 ZINC001576221038 950839225 /nfs/dbraw/zinc/83/92/25/950839225.db2.gz YXALFHJPSPOCSY-SNVBAGLBSA-N 0 1 382.432 0.111 20 0 GCADMN C[C@@H](CN(C)[C@H]1CCN(C2CCC2)C1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767162 950842715 /nfs/dbraw/zinc/84/27/15/950842715.db2.gz MOEIKYGWSGTQJV-NHYWBVRUSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576222144 950862103 /nfs/dbraw/zinc/86/21/03/950862103.db2.gz XIELPHDWARVQCQ-VHSXEESVSA-N 0 1 378.387 0.773 20 0 GCADMN C[C@H](CN(C)C(=O)c1nccnc1N)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574767922 950873999 /nfs/dbraw/zinc/87/39/99/950873999.db2.gz VCJFBMDDYZWQLW-SNVBAGLBSA-N 0 1 385.407 0.628 20 0 GCADMN CC(C)(C)n1ncnc1CN[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573893357 950881582 /nfs/dbraw/zinc/88/15/82/950881582.db2.gz BHCCPXUJXCVTJR-PHIMTYICSA-N 0 1 384.448 0.592 20 0 GCADMN CC(C)(C)n1ncnc1CN[C@H]1C[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573893422 950883164 /nfs/dbraw/zinc/88/31/64/950883164.db2.gz FKRCDKZNSKLRHP-TXEJJXNPSA-N 0 1 384.448 0.592 20 0 GCADMN CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1 ZINC001590208421 950888015 /nfs/dbraw/zinc/88/80/15/950888015.db2.gz LSMLDPINQQLJLR-HOCLYGCPSA-N 0 1 378.425 0.779 20 0 GCADMN CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1 ZINC001590208421 950888022 /nfs/dbraw/zinc/88/80/22/950888022.db2.gz LSMLDPINQQLJLR-HOCLYGCPSA-N 0 1 378.425 0.779 20 0 GCADMN CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001590209596 950896517 /nfs/dbraw/zinc/89/65/17/950896517.db2.gz XNABVKKKLFHRKN-PPXVZNSRSA-N 0 1 382.457 0.790 20 0 GCADMN CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001590209596 950896530 /nfs/dbraw/zinc/89/65/30/950896530.db2.gz XNABVKKKLFHRKN-PPXVZNSRSA-N 0 1 382.457 0.790 20 0 GCADMN CC(C)(C)n1ncnc1CN[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573893736 950897699 /nfs/dbraw/zinc/89/76/99/950897699.db2.gz UCDODPXREWQUEV-HAQNSBGRSA-N 0 1 384.448 0.592 20 0 GCADMN CC1(C)C[C@@H](NC(=O)c2cnn[nH]2)CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575640812 950902168 /nfs/dbraw/zinc/90/21/68/950902168.db2.gz KRIAYLWPTNYVDI-NSHDSACASA-N 0 1 382.432 0.805 20 0 GCADMN CC(C)(C)n1cc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001573893915 950912613 /nfs/dbraw/zinc/91/26/13/950912613.db2.gz BYWSASLJGBIIQU-UHFFFAOYSA-N 0 1 382.432 0.405 20 0 GCADMN CC(C)(C)n1cc(CN[C@H]2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001573894441 950928618 /nfs/dbraw/zinc/92/86/18/950928618.db2.gz RRPDJDAUIZXDQJ-TXEJJXNPSA-N 0 1 384.448 0.592 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228067 950929824 /nfs/dbraw/zinc/92/98/24/950929824.db2.gz IMFRLYMVMRCANE-TZMCWYRMSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575937294 950940708 /nfs/dbraw/zinc/94/07/08/950940708.db2.gz JWRKWBLRDNZBOJ-OCCSQVGLSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575937294 950940729 /nfs/dbraw/zinc/94/07/29/950940729.db2.gz JWRKWBLRDNZBOJ-OCCSQVGLSA-N 0 1 385.476 0.790 20 0 GCADMN CC1(C)C[C@H]1C(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001575642916 950949801 /nfs/dbraw/zinc/94/98/01/950949801.db2.gz JKGZJVWEMYESGH-SGTLLEGYSA-N 0 1 384.444 0.511 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576228684 950953773 /nfs/dbraw/zinc/95/37/73/950953773.db2.gz IJLPGEHHLXMVNY-QWHCGFSZSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576228684 950953782 /nfs/dbraw/zinc/95/37/82/950953782.db2.gz IJLPGEHHLXMVNY-QWHCGFSZSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H](C[C@H](C)NCc1nnnn1C1CC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574530604 950987548 /nfs/dbraw/zinc/98/75/48/950987548.db2.gz CMMZOTBRKWNLRU-VHSXEESVSA-N 0 1 385.436 0.203 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CCn1cncn1 ZINC001574774592 951005987 /nfs/dbraw/zinc/00/59/87/951005987.db2.gz DKVAJYYLHWUHDX-GFCCVEGCSA-N 0 1 387.423 0.624 20 0 GCADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574774604 951007685 /nfs/dbraw/zinc/00/76/85/951007685.db2.gz DPAZBRHBLCTXND-VOJFVSQTSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575018123 951016689 /nfs/dbraw/zinc/01/66/89/951016689.db2.gz KWSZTXMTXONMKV-SECBINFHSA-N 0 1 386.391 0.341 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@@H](C)C(=O)Nc1nccs1 ZINC001575018910 951027557 /nfs/dbraw/zinc/02/75/57/951027557.db2.gz RPCXTGDYZAGHJI-BDAKNGLRSA-N 0 1 389.445 0.386 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575022075 951068643 /nfs/dbraw/zinc/06/86/43/951068643.db2.gz GWPZHYTVFOCXJK-SECBINFHSA-N 0 1 387.375 0.606 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024401 951101817 /nfs/dbraw/zinc/10/18/17/951101817.db2.gz DBDBOHRSLOPVEM-GFCCVEGCSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024779 951114366 /nfs/dbraw/zinc/11/43/66/951114366.db2.gz MOQYREYIKWRCFQ-LLVKDONJSA-N 0 1 382.432 0.018 20 0 GCADMN CCOC(=O)c1sc(NC(=O)C[N@H+](C)CCC(=O)NC)c(C(=O)[O-])c1C ZINC001591425411 951133568 /nfs/dbraw/zinc/13/35/68/951133568.db2.gz DTJYAUFXPOKZIS-UHFFFAOYSA-N 0 1 385.442 0.938 20 0 GCADMN CCOC(=O)c1sc(NC(=O)C[N@@H+](C)CCC(=O)NC)c(C(=O)[O-])c1C ZINC001591425411 951133576 /nfs/dbraw/zinc/13/35/76/951133576.db2.gz DTJYAUFXPOKZIS-UHFFFAOYSA-N 0 1 385.442 0.938 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575026223 951140367 /nfs/dbraw/zinc/14/03/67/951140367.db2.gz HAHFUEUNNUSJOC-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575026223 951140372 /nfs/dbraw/zinc/14/03/72/951140372.db2.gz HAHFUEUNNUSJOC-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CO1 ZINC001595002088 951143025 /nfs/dbraw/zinc/14/30/25/951143025.db2.gz ROJFOGVZQZDZKY-YESZJQIVSA-N 0 1 383.489 0.169 20 0 GCADMN C[C@H](CNC(=O)c1cccc(=O)n1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575026992 951150651 /nfs/dbraw/zinc/15/06/51/951150651.db2.gz ORJLNUYJPGTFKK-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1cccc2n[nH]cc21)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027170 951153536 /nfs/dbraw/zinc/15/35/36/951153536.db2.gz CUTZAPUMAFWVDQ-SNVBAGLBSA-N 0 1 378.400 0.788 20 0 GCADMN C[C@H](CNC(=O)c1ccc2nncn2c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575027523 951157772 /nfs/dbraw/zinc/15/77/72/951157772.db2.gz RIQSUNOPZJCQMP-SNVBAGLBSA-N 0 1 383.441 0.879 20 0 GCADMN C[C@H](CNC(=O)c1ccc2nncn2c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575027523 951157779 /nfs/dbraw/zinc/15/77/79/951157779.db2.gz RIQSUNOPZJCQMP-SNVBAGLBSA-N 0 1 383.441 0.879 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575027547 951160762 /nfs/dbraw/zinc/16/07/62/951160762.db2.gz RVAUKSSDPGDSBO-SNVBAGLBSA-N 0 1 385.453 0.935 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C(N)=O)c1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575027547 951160773 /nfs/dbraw/zinc/16/07/73/951160773.db2.gz RVAUKSSDPGDSBO-SNVBAGLBSA-N 0 1 385.453 0.935 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028565 951177976 /nfs/dbraw/zinc/17/79/76/951177976.db2.gz OGIGMOWXQCRFSM-NSHDSACASA-N 0 1 380.412 0.382 20 0 GCADMN C[C@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575031563 951197017 /nfs/dbraw/zinc/19/70/17/951197017.db2.gz DBVXXZHPMGNRKB-SNVBAGLBSA-N 0 1 381.400 0.010 20 0 GCADMN C[C@@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575032166 951218678 /nfs/dbraw/zinc/21/86/78/951218678.db2.gz SFVONMASMSQKJO-NSHDSACASA-N 0 1 382.432 0.372 20 0 GCADMN C[C@@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575033840 951228696 /nfs/dbraw/zinc/22/86/96/951228696.db2.gz CKAFSICCRNSSLT-SECBINFHSA-N 0 1 392.374 0.018 20 0 GCADMN O=C([O-])CC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001595008394 951232029 /nfs/dbraw/zinc/23/20/29/951232029.db2.gz LHNIOYICJMAVGI-SJORKVTESA-N 0 1 395.500 0.946 20 0 GCADMN C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575035508 951275801 /nfs/dbraw/zinc/27/58/01/951275801.db2.gz JLDPTWJAVYDBGP-GFCCVEGCSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575035509 951276238 /nfs/dbraw/zinc/27/62/38/951276238.db2.gz JLDPTWJAVYDBGP-LBPRGKRZSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575037020 951305590 /nfs/dbraw/zinc/30/55/90/951305590.db2.gz ZPLIDSWMDJETFE-VIFPVBQESA-N 0 1 377.359 0.376 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575038814 951325309 /nfs/dbraw/zinc/32/53/09/951325309.db2.gz LUXFWAUZTDHQGD-NSHDSACASA-N 0 1 384.448 0.863 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575042713 951369969 /nfs/dbraw/zinc/36/99/69/951369969.db2.gz BCWYKUIGARMBSF-MNOVXSKESA-N 0 1 382.432 0.403 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(C2CC2)s1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575042987 951377363 /nfs/dbraw/zinc/37/73/63/951377363.db2.gz FDTUMARFLBSCBG-SECBINFHSA-N 0 1 385.457 0.891 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043065 951381191 /nfs/dbraw/zinc/38/11/91/951381191.db2.gz NYPASPKGFORQKL-SECBINFHSA-N 0 1 375.824 0.903 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575043509 951396410 /nfs/dbraw/zinc/39/64/10/951396410.db2.gz SHYSYMUPIKUBNA-SNVBAGLBSA-N 0 1 382.432 0.310 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575043669 951398858 /nfs/dbraw/zinc/39/88/58/951398858.db2.gz LMYDGNXQINFOGO-VIFPVBQESA-N 0 1 385.457 0.718 20 0 GCADMN C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575043576 951401304 /nfs/dbraw/zinc/40/13/04/951401304.db2.gz UYEUFSXVHSLOGY-MRVPVSSYSA-N 0 1 391.823 0.832 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575044335 951412944 /nfs/dbraw/zinc/41/29/44/951412944.db2.gz YWPYZNKRDAIGEX-SNVBAGLBSA-N 0 1 384.448 0.340 20 0 GCADMN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccncc1-c1nn[nH]n1 ZINC001575044602 951415475 /nfs/dbraw/zinc/41/54/75/951415475.db2.gz SOWQGXYIUPCGJX-NSHDSACASA-N 0 1 382.432 0.018 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]nc1-c1ccco1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575045051 951422605 /nfs/dbraw/zinc/42/26/05/951422605.db2.gz ZJPILTMCKAFSCY-SECBINFHSA-N 0 1 380.372 0.292 20 0 GCADMN C[C@H](CNC(=O)c1cncc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575045952 951434581 /nfs/dbraw/zinc/43/45/81/951434581.db2.gz JUMAIENODSLSSQ-LLVKDONJSA-N 0 1 375.396 0.857 20 0 GCADMN CC(C)c1ncncc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575045893 951436151 /nfs/dbraw/zinc/43/61/51/951436151.db2.gz JEHJQBKIIJFWPB-NSHDSACASA-N 0 1 382.432 0.470 20 0 GCADMN C[C@@H](CNC(=O)c1cncn1C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575046392 951441352 /nfs/dbraw/zinc/44/13/52/951441352.db2.gz NQMWMFGPKWKJJE-ZETCQYMHSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575052497 951465656 /nfs/dbraw/zinc/46/56/56/951465656.db2.gz KHGXZMHPSRLSMK-LLVKDONJSA-N 0 1 382.432 0.163 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575053078 951473589 /nfs/dbraw/zinc/47/35/89/951473589.db2.gz QFMBVDQUOWWXGG-VIFPVBQESA-N 0 1 375.824 0.903 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575053815 951483367 /nfs/dbraw/zinc/48/33/67/951483367.db2.gz FGHVFXDNZDWPPU-GFCCVEGCSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@@H](CNC(=O)c1cnoc1-c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575054312 951491672 /nfs/dbraw/zinc/49/16/72/951491672.db2.gz IMTSJANSTRFLDU-NSHDSACASA-N 0 1 391.395 0.964 20 0 GCADMN C[C@@H](CNC(=O)c1conc1C1CCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575059038 951537455 /nfs/dbraw/zinc/53/74/55/951537455.db2.gz YAKKNIPAJLZNJV-JTQLQIEISA-N 0 1 383.416 0.955 20 0 GCADMN C[C@H](CNC(=O)c1ncc(F)cc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575060958 951551598 /nfs/dbraw/zinc/55/15/98/951551598.db2.gz KIUGXRJRTBDKCK-QMMMGPOBSA-N 0 1 375.343 0.230 20 0 GCADMN C[C@@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575061256 951554954 /nfs/dbraw/zinc/55/49/54/951554954.db2.gz MCWGRGXDLSUNRB-LURJTMIESA-N 0 1 382.310 0.051 20 0 GCADMN C[C@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575064648 951576091 /nfs/dbraw/zinc/57/60/91/951576091.db2.gz CAZFQOKEZLGHPQ-LLVKDONJSA-N 0 1 381.444 0.526 20 0 GCADMN C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575065405 951583618 /nfs/dbraw/zinc/58/36/18/951583618.db2.gz CGWYPCPJUHBWTN-LBPRGKRZSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575065400 951583807 /nfs/dbraw/zinc/58/38/07/951583807.db2.gz CGWYPCPJUHBWTN-GFCCVEGCSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@@H](CNC(=O)c1nn(C)c2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001575065957 951589044 /nfs/dbraw/zinc/58/90/44/951589044.db2.gz JIWAFWLNIQRAMS-NSHDSACASA-N 0 1 377.412 0.801 20 0 GCADMN C[C@@H](CNC(=O)c1ncn(C)n1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575067099 951601987 /nfs/dbraw/zinc/60/19/87/951601987.db2.gz IBBUJZZCXWSEDX-LURJTMIESA-N 0 1 382.841 0.360 20 0 GCADMN C[C@@H](CNC(=O)c1noc2c1CCCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575067477 951613434 /nfs/dbraw/zinc/61/34/34/951613434.db2.gz TUUNZRGVMONMPD-JTQLQIEISA-N 0 1 383.416 0.566 20 0 GCADMN C[C@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575067727 951621807 /nfs/dbraw/zinc/62/18/07/951621807.db2.gz XAUAMMUZGDHNIO-ZCFIWIBFSA-N 0 1 383.294 0.316 20 0 GCADMN C[C@H](CNC(=O)c1onc2c1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575069473 951644010 /nfs/dbraw/zinc/64/40/10/951644010.db2.gz JICACOZAMMZBNC-SNVBAGLBSA-N 0 1 383.416 0.778 20 0 GCADMN C[C@@H](CNC(=O)c1scnc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575070618 951652767 /nfs/dbraw/zinc/65/27/67/951652767.db2.gz SPGXVUFFUDXNMT-LURJTMIESA-N 0 1 381.372 0.703 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1=O ZINC001595082283 951695360 /nfs/dbraw/zinc/69/53/60/951695360.db2.gz GLWWNJLFWOPRRH-IRXDYDNUSA-N 0 1 389.452 0.193 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1=O ZINC001595089896 951762380 /nfs/dbraw/zinc/76/23/80/951762380.db2.gz COSQHZBSUFBJPZ-HOTGVXAUSA-N 0 1 380.489 0.873 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1nccnc1N ZINC001575091113 951767877 /nfs/dbraw/zinc/76/78/77/951767877.db2.gz PENJGWFAAIXXLI-JTQLQIEISA-N 0 1 385.407 0.628 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575091117 951770561 /nfs/dbraw/zinc/77/05/61/951770561.db2.gz PISRRGUDVZRHOC-PXAZEXFGSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575091117 951770566 /nfs/dbraw/zinc/77/05/66/951770566.db2.gz PISRRGUDVZRHOC-PXAZEXFGSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575091312 951773541 /nfs/dbraw/zinc/77/35/41/951773541.db2.gz QVWWYPNYIUAFQY-DYVFJYSZSA-N 0 1 392.485 0.718 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575091312 951773549 /nfs/dbraw/zinc/77/35/49/951773549.db2.gz QVWWYPNYIUAFQY-DYVFJYSZSA-N 0 1 392.485 0.718 20 0 GCADMN C[C@H](C(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cncn1 ZINC001575091552 951778637 /nfs/dbraw/zinc/77/86/37/951778637.db2.gz UZONKZFZRFEECJ-NWDGAFQWSA-N 0 1 387.423 0.795 20 0 GCADMN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098083 951818633 /nfs/dbraw/zinc/81/86/33/951818633.db2.gz AHDAIOPQELIBED-WDEREUQCSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098083 951818640 /nfs/dbraw/zinc/81/86/40/951818640.db2.gz AHDAIOPQELIBED-WDEREUQCSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098081 951819072 /nfs/dbraw/zinc/81/90/72/951819072.db2.gz AHDAIOPQELIBED-MNOVXSKESA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098081 951819082 /nfs/dbraw/zinc/81/90/82/951819082.db2.gz AHDAIOPQELIBED-MNOVXSKESA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575098407 951822495 /nfs/dbraw/zinc/82/24/95/951822495.db2.gz CMQOIFUPBPDUQL-AAEUAGOBSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575098407 951822498 /nfs/dbraw/zinc/82/24/98/951822498.db2.gz CMQOIFUPBPDUQL-AAEUAGOBSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098471 951823225 /nfs/dbraw/zinc/82/32/25/951823225.db2.gz DMOHEQYRULAVKP-WCQYABFASA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098471 951823231 /nfs/dbraw/zinc/82/32/31/951823231.db2.gz DMOHEQYRULAVKP-WCQYABFASA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098421 951823662 /nfs/dbraw/zinc/82/36/62/951823662.db2.gz COLBKEYJZKDMFJ-ZYHUDNBSSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098421 951823668 /nfs/dbraw/zinc/82/36/68/951823668.db2.gz COLBKEYJZKDMFJ-ZYHUDNBSSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098710 951824929 /nfs/dbraw/zinc/82/49/29/951824929.db2.gz FIBQNEVGZFXCIW-MNOVXSKESA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098710 951824936 /nfs/dbraw/zinc/82/49/36/951824936.db2.gz FIBQNEVGZFXCIW-MNOVXSKESA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098687 951826190 /nfs/dbraw/zinc/82/61/90/951826190.db2.gz FDFAMACOPIMLLQ-QWRGUYRKSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098687 951826195 /nfs/dbraw/zinc/82/61/95/951826195.db2.gz FDFAMACOPIMLLQ-QWRGUYRKSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCS(C)(=O)=O ZINC001575098996 951827205 /nfs/dbraw/zinc/82/72/05/951827205.db2.gz GTLCOFDSFDOOHE-SNVBAGLBSA-N 0 1 386.503 0.299 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCS(C)(=O)=O ZINC001575098996 951827210 /nfs/dbraw/zinc/82/72/10/951827210.db2.gz GTLCOFDSFDOOHE-SNVBAGLBSA-N 0 1 386.503 0.299 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575099061 951830379 /nfs/dbraw/zinc/83/03/79/951830379.db2.gz IAJDRDBNFAGBHR-GHMZBOCLSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575099061 951830390 /nfs/dbraw/zinc/83/03/90/951830390.db2.gz IAJDRDBNFAGBHR-GHMZBOCLSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099375 951833078 /nfs/dbraw/zinc/83/30/78/951833078.db2.gz KXEXRHNYITWFBB-SNVBAGLBSA-N 0 1 390.473 0.121 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099375 951833084 /nfs/dbraw/zinc/83/30/84/951833084.db2.gz KXEXRHNYITWFBB-SNVBAGLBSA-N 0 1 390.473 0.121 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575099358 951833422 /nfs/dbraw/zinc/83/34/22/951833422.db2.gz KNZAMEZWLZMWPL-RYUDHWBXSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCC(=O)NC1 ZINC001575099358 951833435 /nfs/dbraw/zinc/83/34/35/951833435.db2.gz KNZAMEZWLZMWPL-RYUDHWBXSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575099410 951834306 /nfs/dbraw/zinc/83/43/06/951834306.db2.gz LLRBURGJDVGDEK-NEPJUHHUSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575099410 951834314 /nfs/dbraw/zinc/83/43/14/951834314.db2.gz LLRBURGJDVGDEK-NEPJUHHUSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099408 951834524 /nfs/dbraw/zinc/83/45/24/951834524.db2.gz LKYYDWURQNNZGJ-JTQLQIEISA-N 0 1 388.457 0.178 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099408 951834535 /nfs/dbraw/zinc/83/45/35/951834535.db2.gz LKYYDWURQNNZGJ-JTQLQIEISA-N 0 1 388.457 0.178 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575099442 951834621 /nfs/dbraw/zinc/83/46/21/951834621.db2.gz MFOMEBMEZHWYRJ-QWRGUYRKSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575099442 951834633 /nfs/dbraw/zinc/83/46/33/951834633.db2.gz MFOMEBMEZHWYRJ-QWRGUYRKSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575099426 951834662 /nfs/dbraw/zinc/83/46/62/951834662.db2.gz LSLCMECMVSBICW-NEPJUHHUSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575099426 951834674 /nfs/dbraw/zinc/83/46/74/951834674.db2.gz LSLCMECMVSBICW-NEPJUHHUSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575099412 951835074 /nfs/dbraw/zinc/83/50/74/951835074.db2.gz LLRBURGJDVGDEK-RYUDHWBXSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575099412 951835082 /nfs/dbraw/zinc/83/50/82/951835082.db2.gz LLRBURGJDVGDEK-RYUDHWBXSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN1CCCNC1=O ZINC001575101127 951854352 /nfs/dbraw/zinc/85/43/52/951854352.db2.gz ZWZPZAIDRRWBAQ-LLVKDONJSA-N 0 1 392.489 0.280 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN1CCCNC1=O ZINC001575101127 951854361 /nfs/dbraw/zinc/85/43/61/951854361.db2.gz ZWZPZAIDRRWBAQ-LLVKDONJSA-N 0 1 392.489 0.280 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575102006 951865665 /nfs/dbraw/zinc/86/56/65/951865665.db2.gz KHIMDVXCLOSYFY-VIFPVBQESA-N 0 1 376.446 0.618 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575102006 951865672 /nfs/dbraw/zinc/86/56/72/951865672.db2.gz KHIMDVXCLOSYFY-VIFPVBQESA-N 0 1 376.446 0.618 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575102381 951868784 /nfs/dbraw/zinc/86/87/84/951868784.db2.gz MJPFNGHBGATJJH-HWPZZCPQSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575102381 951868791 /nfs/dbraw/zinc/86/87/91/951868791.db2.gz MJPFNGHBGATJJH-HWPZZCPQSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575104068 951882894 /nfs/dbraw/zinc/88/28/94/951882894.db2.gz XQCZLKNAJHSQCZ-SNVBAGLBSA-N 0 1 390.473 0.216 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575104068 951882896 /nfs/dbraw/zinc/88/28/96/951882896.db2.gz XQCZLKNAJHSQCZ-SNVBAGLBSA-N 0 1 390.473 0.216 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1cc(F)ccc1F ZINC001575140439 952142042 /nfs/dbraw/zinc/14/20/42/952142042.db2.gz CXCKFWDCACJDIP-JTQLQIEISA-N 0 1 388.382 0.858 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1cccnc1 ZINC001575143101 952149373 /nfs/dbraw/zinc/14/93/73/952149373.db2.gz NAVPERKQSAJCJQ-CYBMUJFWSA-N 0 1 381.444 0.755 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1ccccn1 ZINC001575142803 952150047 /nfs/dbraw/zinc/15/00/47/952150047.db2.gz MAXVKMPSOBZRKO-CYBMUJFWSA-N 0 1 381.444 0.755 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cncc(F)c1)C1CC1 ZINC001575143367 952151776 /nfs/dbraw/zinc/15/17/76/952151776.db2.gz PCKCJRDLHRXFIC-KRWDZBQOSA-N 0 1 383.391 0.623 20 0 GCADMN CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001602893088 971806832 /nfs/dbraw/zinc/80/68/32/971806832.db2.gz NMDWVCVBZWSMGL-KUHUBIRLSA-N 0 1 397.472 0.774 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575143477 952152745 /nfs/dbraw/zinc/15/27/45/952152745.db2.gz ASVFPCWUZAVDFA-LBPRGKRZSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575143437 952153565 /nfs/dbraw/zinc/15/35/65/952153565.db2.gz AJVSNBIWWLVPOG-MRVPVSSYSA-N 0 1 375.343 0.324 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1c(F)cccc1F ZINC001575143791 952158435 /nfs/dbraw/zinc/15/84/35/952158435.db2.gz RVRXGPUXBRKLRV-JTQLQIEISA-N 0 1 388.382 0.858 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575143944 952159856 /nfs/dbraw/zinc/15/98/56/952159856.db2.gz DXZFIRKDNUFTKC-SFHVURJKSA-N 0 1 381.444 0.736 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575144020 952161329 /nfs/dbraw/zinc/16/13/29/952161329.db2.gz FNQFXHNOLVYNDD-SFHVURJKSA-N 0 1 380.412 0.795 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575144165 952162834 /nfs/dbraw/zinc/16/28/34/952162834.db2.gz UOEODXOIQWQWDI-WCQYABFASA-N 0 1 379.428 0.462 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575144279 952164056 /nfs/dbraw/zinc/16/40/56/952164056.db2.gz HORGFMFUULZHGL-VIFPVBQESA-N 0 1 392.374 0.113 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575144257 952164758 /nfs/dbraw/zinc/16/47/58/952164758.db2.gz HLTMVTVUNFYFHD-QMMMGPOBSA-N 0 1 392.374 0.322 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575144238 952165016 /nfs/dbraw/zinc/16/50/16/952165016.db2.gz HCWWUHONKTYCEP-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(F)cncc1F ZINC001575144725 952171138 /nfs/dbraw/zinc/17/11/38/952171138.db2.gz KUWHNRVMWOYUDE-QMMMGPOBSA-N 0 1 375.343 0.324 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575144755 952171147 /nfs/dbraw/zinc/17/11/47/952171147.db2.gz LCPHUWVJAPAFIK-LLVKDONJSA-N 0 1 382.432 0.184 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575144700 952171181 /nfs/dbraw/zinc/17/11/81/952171181.db2.gz KPWLOQOEBIKVKU-KRWDZBQOSA-N 0 1 381.400 0.190 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575144842 952171690 /nfs/dbraw/zinc/17/16/90/952171690.db2.gz YFFMLOUWSLLBOE-GFCCVEGCSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575144841 952172117 /nfs/dbraw/zinc/17/21/17/952172117.db2.gz MUUSJEUBQWAFJM-SECBINFHSA-N 0 1 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/nfs/dbraw/zinc/66/46/80/952664680.db2.gz SYSVUIIQOKREET-CQSZACIVSA-N 0 1 379.428 0.753 20 0 GCADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001571148042 952665264 /nfs/dbraw/zinc/66/52/64/952665264.db2.gz UAABTLSHUBPNBB-MELADBBJSA-N 0 1 379.428 0.899 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCCN1C(=O)c1ncccn1 ZINC001571148007 952665296 /nfs/dbraw/zinc/66/52/96/952665296.db2.gz SZHXVNSYXOEFJJ-WFASDCNBSA-N 0 1 379.428 0.969 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ncccn1 ZINC001571148023 952665852 /nfs/dbraw/zinc/66/58/52/952665852.db2.gz TTXPBQTXXYYAQQ-TZMCWYRMSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571148253 952666686 /nfs/dbraw/zinc/66/66/86/952666686.db2.gz XBDUNAKBPNGCAN-STQMWFEESA-N 0 1 379.428 0.684 20 0 GCADMN C[C@H](Sc1nc(CC(=O)Nc2c[nH]nc2-c2nn[nH]n2)cs1)C(N)=O ZINC001571151405 952675797 /nfs/dbraw/zinc/67/57/97/952675797.db2.gz PYMBTGUQQCSMNC-YFKPBYRVSA-N 0 1 379.431 0.193 20 0 GCADMN O=C(c1n[nH]c2c1CCC2)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571151562 952675918 /nfs/dbraw/zinc/67/59/18/952675918.db2.gz QPVULJKKAIQVCJ-UHFFFAOYSA-N 0 1 379.428 0.612 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571155006 952691175 /nfs/dbraw/zinc/69/11/75/952691175.db2.gz DPXNRDABXNTBAE-OLZOCXBDSA-N 0 1 380.412 0.559 20 0 GCADMN COCc1cncc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571155041 952691621 /nfs/dbraw/zinc/69/16/21/952691621.db2.gz FLINXXYOIZEAPY-CQSZACIVSA-N 0 1 380.412 0.552 20 0 GCADMN Cc1ccc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nn1 ZINC001571156062 952700920 /nfs/dbraw/zinc/70/09/20/952700920.db2.gz BYUWEFCMETVKIV-CHWSQXEVSA-N 0 1 379.428 0.887 20 0 GCADMN Cc1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)cc(C)n1 ZINC001571156047 952701359 /nfs/dbraw/zinc/70/13/59/952701359.db2.gz BTBAWHQUGVNAHD-UHFFFAOYSA-N 0 1 379.428 0.807 20 0 GCADMN Cc1cncc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571156620 952701998 /nfs/dbraw/zinc/70/19/98/952701998.db2.gz FINZVZGVIIUMJO-GOSISDBHSA-N 0 1 379.428 0.746 20 0 GCADMN Cc1cc(C(=O)N[C@H]2C[C@H](CNc3ccncc3-c3nn[nH]n3)C2)c(C)nn1 ZINC001571156596 952702691 /nfs/dbraw/zinc/70/26/91/952702691.db2.gz DPXLTSZDBSNFFD-JOCQHMNTSA-N 0 1 379.428 0.711 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)c3cncnc3C)[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156720 952703329 /nfs/dbraw/zinc/70/33/29/952703329.db2.gz HQTHCELLYZEARS-WFASDCNBSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cc(NC[C@H]2CC[C@H](NC(=O)c3cncnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156658 952703790 /nfs/dbraw/zinc/70/37/90/952703790.db2.gz GDRBUQKTOVEUFJ-JSGCOSHPSA-N 0 1 379.428 0.793 20 0 GCADMN Cc1cnccc1C(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571156710 952703892 /nfs/dbraw/zinc/70/38/92/952703892.db2.gz HLBRKGVSXSMXDD-STQMWFEESA-N 0 1 379.428 0.935 20 0 GCADMN Cc1cnc(C(=O)N2C[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC001571157953 952708822 /nfs/dbraw/zinc/70/88/22/952708822.db2.gz OPGLNDDVBDSPSS-OLZOCXBDSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1ccc(CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571157965 952708830 /nfs/dbraw/zinc/70/88/30/952708830.db2.gz OTJJSYPTYMMGRC-CQSZACIVSA-N 0 1 379.428 0.688 20 0 GCADMN Cc1cnc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2C)cn1 ZINC001571157956 952709228 /nfs/dbraw/zinc/70/92/28/952709228.db2.gz OPGLNDDVBDSPSS-QWHCGFSZSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cc(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)c(C)[nH]1 ZINC001571158142 952709976 /nfs/dbraw/zinc/70/99/76/952709976.db2.gz SCOQCHNEGGHCCO-BETUJISGSA-N 0 1 379.428 0.810 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cccn(C)c3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158304 952711199 /nfs/dbraw/zinc/71/11/99/952711199.db2.gz GMJIDGGCRQDTEJ-GFCCVEGCSA-N 0 1 380.412 0.017 20 0 GCADMN COc1ccccc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571158285 952711768 /nfs/dbraw/zinc/71/17/68/952711768.db2.gz GGAMDYAAJLKWJR-TXEJJXNPSA-N 0 1 380.412 0.708 20 0 GCADMN COc1ccccc1C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571158478 952712422 /nfs/dbraw/zinc/71/24/22/952712422.db2.gz IYCMGAXXOZUIAB-LBPRGKRZSA-N 0 1 380.412 0.804 20 0 GCADMN Cc1cc(NC[C@@H]2CCN(C(=O)c3ncccc3[O-])C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158698 952713493 /nfs/dbraw/zinc/71/34/93/952713493.db2.gz MSYQRJIOGSQFQK-LBPRGKRZSA-N 0 1 380.412 0.667 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)c3cc[nH]c(=O)c3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159476 952719775 /nfs/dbraw/zinc/71/97/75/952719775.db2.gz VZRMRYHICUCPRR-BONVTDFDSA-N 0 1 380.412 0.665 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3ccnnc3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159671 952720421 /nfs/dbraw/zinc/72/04/21/952720421.db2.gz VPPXELPJOVSAFX-IAQYHMDHSA-N 0 1 379.428 0.745 20 0 GCADMN C[C@]12CN(C(=O)Cc3ccon3)C[C@H]1CN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571159715 952721789 /nfs/dbraw/zinc/72/17/89/952721789.db2.gz ZIGVYPARDSSJGV-XIKOKIGWSA-N 0 1 380.412 0.777 20 0 GCADMN Cn1ccc(=O)c(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)c1 ZINC001571160067 952723085 /nfs/dbraw/zinc/72/30/85/952723085.db2.gz CKILRLKSPWGQLU-UHFFFAOYSA-N 0 1 380.412 0.359 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)nn1 ZINC001571160329 952724945 /nfs/dbraw/zinc/72/49/45/952724945.db2.gz YOOIXUJDCNXRAY-ZDUSSCGKSA-N 0 1 379.428 0.807 20 0 GCADMN O=C(Cc1ccco1)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571160348 952725897 /nfs/dbraw/zinc/72/58/97/952725897.db2.gz HNMFAKPMLLHMEC-OLZOCXBDSA-N 0 1 380.412 0.777 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O)c1cnccn1 ZINC001571160569 952727143 /nfs/dbraw/zinc/72/71/43/952727143.db2.gz JKHPXIJBMACYJT-GDBMZVCRSA-N 0 1 380.412 0.022 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O)c1cnccn1 ZINC001571160574 952727843 /nfs/dbraw/zinc/72/78/43/952727843.db2.gz JKHPXIJBMACYJT-ZBFHGGJFSA-N 0 1 380.412 0.022 20 0 GCADMN Cn1cccc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)c1=O ZINC001571161027 952730068 /nfs/dbraw/zinc/73/00/68/952730068.db2.gz OYBJSBGKMWTJHP-UHFFFAOYSA-N 0 1 380.412 0.003 20 0 GCADMN CCn1nccc1C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571161875 952735699 /nfs/dbraw/zinc/73/56/99/952735699.db2.gz CZNUMAGLYGDMKD-WCQYABFASA-N 0 1 380.416 0.224 20 0 GCADMN Cc1n[nH]cc1C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571161931 952736528 /nfs/dbraw/zinc/73/65/28/952736528.db2.gz FKGGWXQTNJXMSO-GTNSWQLSSA-N 0 1 380.416 0.477 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H]3[C@H]2CCN3c2nccnc2-c2nn[nH]n2)n[nH]1 ZINC001571162079 952738940 /nfs/dbraw/zinc/73/89/40/952738940.db2.gz JJTFFUHKPHQOAC-QWHCGFSZSA-N 0 1 380.416 0.572 20 0 GCADMN CCc1ncncc1C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571162268 952740749 /nfs/dbraw/zinc/74/07/49/952740749.db2.gz PGBRLJZQUNXMNH-UHFFFAOYSA-N 0 1 380.416 0.148 20 0 GCADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)CCc2cnccn2)C1 ZINC001571162354 952742325 /nfs/dbraw/zinc/74/23/25/952742325.db2.gz RHFZBSMIVJHQPA-ZDUSSCGKSA-N 0 1 380.416 0.117 20 0 GCADMN CCc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[nH]n3)nn2)n[nH]1 ZINC001571162369 952742921 /nfs/dbraw/zinc/74/29/21/952742921.db2.gz SBRLRWZVZOWJIH-TXEJJXNPSA-N 0 1 380.416 0.436 20 0 GCADMN O=C(N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cnccn1 ZINC001571165197 952748246 /nfs/dbraw/zinc/74/82/46/952748246.db2.gz FPYGVBHEFQSIRS-VXGBXAGGSA-N 0 1 380.416 0.269 20 0 GCADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]nc1C1CC1 ZINC001571165227 952748743 /nfs/dbraw/zinc/74/87/43/952748743.db2.gz GQASEEAWBNICGI-LLVKDONJSA-N 0 1 380.416 0.656 20 0 GCADMN Cc1nccc(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571165459 952751316 /nfs/dbraw/zinc/75/13/16/952751316.db2.gz HGICQBZYHJDBTQ-GFCCVEGCSA-N 0 1 380.416 0.141 20 0 GCADMN Cc1ncncc1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571165502 952752200 /nfs/dbraw/zinc/75/22/00/952752200.db2.gz ILUWWAMIWDGYMZ-ZYHUDNBSSA-N 0 1 380.416 0.257 20 0 GCADMN O=C(c1ccn[nH]1)N1CC[C@@]2(C1)CCCN(c1cncc(-c3nn[nH]n3)n1)C2 ZINC001571166189 952758489 /nfs/dbraw/zinc/75/84/89/952758489.db2.gz PPZAUHGRLMUVJW-KRWDZBQOSA-N 0 1 380.416 0.513 20 0 GCADMN Cc1ncncc1C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571166102 952758862 /nfs/dbraw/zinc/75/88/62/952758862.db2.gz NODXTRJWIOIOJT-WCQYABFASA-N 0 1 380.416 0.188 20 0 GCADMN Cn1ncc(C2CC2)c1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571166976 952767894 /nfs/dbraw/zinc/76/78/94/952767894.db2.gz ZSQLTGNSXPTRJU-UHFFFAOYSA-N 0 1 380.416 0.230 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1CCO[C@H]1CC1(F)F ZINC001571170199 952784020 /nfs/dbraw/zinc/78/40/20/952784020.db2.gz FYKSHJLVLICUDT-CDMKHQONSA-N 0 1 381.387 0.812 20 0 GCADMN C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001571170350 952785132 /nfs/dbraw/zinc/78/51/32/952785132.db2.gz HHMOHFOTDDTHEU-NOZJJQNGSA-N 0 1 381.387 0.669 20 0 GCADMN NC(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571170387 952786130 /nfs/dbraw/zinc/78/61/30/952786130.db2.gz INHXBTSVHCSANA-AWEZNQCLSA-N 0 1 381.396 0.563 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cc(C2CC2)on1 ZINC001571171619 952795040 /nfs/dbraw/zinc/79/50/40/952795040.db2.gz UCYJKJCBAHWRRG-KOLCDFICSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571171609 952795349 /nfs/dbraw/zinc/79/53/49/952795349.db2.gz TYVWSQMDWPLFKX-QWRGUYRKSA-N 0 1 381.400 0.142 20 0 GCADMN C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001571171880 952798072 /nfs/dbraw/zinc/79/80/72/952798072.db2.gz YSHAPOZYNMTQGJ-NOZJJQNGSA-N 0 1 381.387 0.669 20 0 GCADMN COc1cc(C)cnc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571174572 952809810 /nfs/dbraw/zinc/80/98/10/952809810.db2.gz AUXYLYIVROFRJQ-NSHDSACASA-N 0 1 381.400 0.377 20 0 GCADMN COc1cncc(C(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571174581 952810753 /nfs/dbraw/zinc/81/07/53/952810753.db2.gz AZUCEGSHWFVSDM-UHFFFAOYSA-N 0 1 381.400 0.103 20 0 GCADMN Cc1cc(N2CCC[C@H](NC(=O)c3ccc(=O)[nH]n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174602 952810884 /nfs/dbraw/zinc/81/08/84/952810884.db2.gz BMXHDSQAZQRZOW-NSHDSACASA-N 0 1 381.400 0.465 20 0 GCADMN COc1cccc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571174628 952811349 /nfs/dbraw/zinc/81/13/49/952811349.db2.gz CGBURNKMNSNKTK-PHIMTYICSA-N 0 1 381.400 0.103 20 0 GCADMN Cc1nocc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571175356 952820593 /nfs/dbraw/zinc/82/05/93/952820593.db2.gz BGDKFEMDGNIYKT-NEPJUHHUSA-N 0 1 381.400 0.528 20 0 GCADMN Cc1nocc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571175358 952820832 /nfs/dbraw/zinc/82/08/32/952820832.db2.gz BGDKFEMDGNIYKT-NWDGAFQWSA-N 0 1 381.400 0.528 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)N3Cc4cncnc4C3)CC2)o1 ZINC001571175668 952823709 /nfs/dbraw/zinc/82/37/09/952823709.db2.gz DQCXJPCWEMDDDE-UHFFFAOYSA-N 0 1 381.400 0.712 20 0 GCADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnoc1C1CC1 ZINC001571175730 952825429 /nfs/dbraw/zinc/82/54/29/952825429.db2.gz GQXQCVYLXLBTQQ-LLVKDONJSA-N 0 1 381.400 0.921 20 0 GCADMN Cc1conc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571175966 952828405 /nfs/dbraw/zinc/82/84/05/952828405.db2.gz KBAQYZOHISCIGE-QWRGUYRKSA-N 0 1 381.400 0.528 20 0 GCADMN O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)c1cocn1 ZINC001571176156 952829718 /nfs/dbraw/zinc/82/97/18/952829718.db2.gz MUARFUCNFZNIRE-IJLUTSLNSA-N 0 1 381.400 0.680 20 0 GCADMN O=C(N[C@H]1CC12CCN(C(=O)c1ccn[nH]1)CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571176578 952832886 /nfs/dbraw/zinc/83/28/86/952832886.db2.gz VDQZZZFVOCVPFF-ZDUSSCGKSA-N 0 1 381.400 0.343 20 0 GCADMN O=C(NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cc(C2CC2)on1 ZINC001571176854 952835114 /nfs/dbraw/zinc/83/51/14/952835114.db2.gz YWWRXHCOFIPYIK-UHFFFAOYSA-N 0 1 381.400 0.921 20 0 GCADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ncoc1C1CC1 ZINC001571176923 952835377 /nfs/dbraw/zinc/83/53/77/952835377.db2.gz ZSNPYEBALAXQBG-NSHDSACASA-N 0 1 381.400 0.921 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571183501 952879004 /nfs/dbraw/zinc/87/90/04/952879004.db2.gz CDRJWJRNVXUTKD-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN CCc1c(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571183611 952881308 /nfs/dbraw/zinc/88/13/08/952881308.db2.gz FNVHPASKQUXRHP-GFCCVEGCSA-N 0 1 381.444 0.814 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001571183618 952881406 /nfs/dbraw/zinc/88/14/06/952881406.db2.gz FRHGJCPIUJUPKZ-UHFFFAOYSA-N 0 1 381.444 0.833 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571183765 952883652 /nfs/dbraw/zinc/88/36/52/952883652.db2.gz JBQFGHFUJFLPBM-GFCCVEGCSA-N 0 1 381.444 0.933 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001571183861 952884050 /nfs/dbraw/zinc/88/40/50/952884050.db2.gz LEOUOCAWVYNMKO-GFCCVEGCSA-N 0 1 381.444 0.688 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)CCc1ccn(C)n1 ZINC001571183890 952884098 /nfs/dbraw/zinc/88/40/98/952884098.db2.gz MDIKEWUPTLDWFA-TZMCWYRMSA-N 0 1 381.444 0.451 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183951 952885330 /nfs/dbraw/zinc/88/53/30/952885330.db2.gz NGNQSGQSMDQDBU-SWLSCSKDSA-N 0 1 381.444 0.688 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1nccn1C ZINC001571184343 952892653 /nfs/dbraw/zinc/89/26/53/952892653.db2.gz WYLOTUQNXMMCJM-TZMCWYRMSA-N 0 1 381.444 0.451 20 0 GCADMN CCn1nccc1C(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001571184989 952899165 /nfs/dbraw/zinc/89/91/65/952899165.db2.gz GJMKDODDUKLKNH-STQMWFEESA-N 0 1 381.444 0.924 20 0 GCADMN CCn1ccnc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571185316 952900780 /nfs/dbraw/zinc/90/07/80/952900780.db2.gz KOBXAVOWARHHDF-TZMCWYRMSA-N 0 1 381.444 0.863 20 0 GCADMN CCn1cc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c(C)n1 ZINC001571185748 952903182 /nfs/dbraw/zinc/90/31/82/952903182.db2.gz PDEAZSAFOZBMMQ-CYBMUJFWSA-N 0 1 381.444 0.925 20 0 GCADMN CCn1cc(C(=O)NC[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001571186590 952907860 /nfs/dbraw/zinc/90/78/60/952907860.db2.gz XVCCPJZMCUDINQ-MQMHXKEQSA-N 0 1 381.444 0.829 20 0 GCADMN CCn1cc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)cn1 ZINC001571186636 952908117 /nfs/dbraw/zinc/90/81/17/952908117.db2.gz ZBYSPDSGAJDTJH-CQSZACIVSA-N 0 1 381.444 0.925 20 0 GCADMN CN(CC1CCN(C(=O)c2cnn(C)c2)CC1)c1ccncc1-c1nn[nH]n1 ZINC001571186637 952908373 /nfs/dbraw/zinc/90/83/73/952908373.db2.gz ZCJGUUQMIPFQER-UHFFFAOYSA-N 0 1 381.444 0.984 20 0 GCADMN Cn1ncc(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)c1N ZINC001571188800 952920253 /nfs/dbraw/zinc/92/02/53/952920253.db2.gz JPOGOQYGBWMCPI-ZDUSSCGKSA-N 0 1 381.444 0.577 20 0 GCADMN Cn1nccc1CN1CC[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001571189008 952923184 /nfs/dbraw/zinc/92/31/84/952923184.db2.gz LWMSCAAOPMPCFZ-GOSISDBHSA-N 0 1 381.444 0.667 20 0 GCADMN Cc1cc(NC[C@H]2CN(C(=O)c3cn(C)cn3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189096 952923820 /nfs/dbraw/zinc/92/38/20/952923820.db2.gz RVWKEXPRFSEADG-YPMHNXCESA-N 0 1 381.444 0.546 20 0 GCADMN Cc1ccnn1CC(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189599 952931730 /nfs/dbraw/zinc/93/17/30/952931730.db2.gz YARXUZJMOWYOPF-AWEZNQCLSA-N 0 1 381.444 0.860 20 0 GCADMN Cc1cc(N[C@@H]2CN(C(=O)c3cn(C)cn3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189590 952932510 /nfs/dbraw/zinc/93/25/10/952932510.db2.gz XXDDZTQBPROYJR-OAHLLOKOSA-N 0 1 381.444 0.688 20 0 GCADMN Cc1nn(C)c(C)c1C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571189867 952936504 /nfs/dbraw/zinc/93/65/04/952936504.db2.gz XYZMVFNBKWWOMF-UHFFFAOYSA-N 0 1 381.444 0.654 20 0 GCADMN CC(=O)NCc1nc(CNc2nc(-c3nn[nH]n3)c(Cl)s2)cc(=O)[nH]1 ZINC001571192780 952948812 /nfs/dbraw/zinc/94/88/12/952948812.db2.gz VTSQSQRPDMGJDQ-UHFFFAOYSA-N 0 1 381.809 0.720 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC001571194885 952970238 /nfs/dbraw/zinc/97/02/38/952970238.db2.gz UZDUWQKFKFFZLW-JTQLQIEISA-N 0 1 382.306 0.327 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)Cc1ccc(F)cc1 ZINC001571197307 952989000 /nfs/dbraw/zinc/98/90/00/952989000.db2.gz VXNGXTWIWDOVLN-BXUZGUMPSA-N 0 1 382.403 0.862 20 0 GCADMN O=C([C@@H](F)Cc1ccccc1)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571197444 952990633 /nfs/dbraw/zinc/99/06/33/952990633.db2.gz ZZRLCCZLDMJAGN-KBPBESRZSA-N 0 1 382.403 0.672 20 0 GCADMN CCOc1cccc(CN[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571198543 952990698 /nfs/dbraw/zinc/99/06/98/952990698.db2.gz BTLPLUYJDYXNJP-CQSZACIVSA-N 0 1 382.428 0.993 20 0 GCADMN COc1cccc(CN[C@@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571198713 952992253 /nfs/dbraw/zinc/99/22/53/952992253.db2.gz DPNKNEXODYVZIC-SMDDNHRTSA-N 0 1 382.428 0.991 20 0 GCADMN COc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571198745 952992657 /nfs/dbraw/zinc/99/26/57/952992657.db2.gz FJVPMOHJIVKPKQ-ZDUSSCGKSA-N 0 1 382.428 0.613 20 0 GCADMN COc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571198722 952992915 /nfs/dbraw/zinc/99/29/15/952992915.db2.gz DTQMFDBMIVYMFT-AWEZNQCLSA-N 0 1 382.428 0.613 20 0 GCADMN COc1cccc(CN[C@H]2C[C@H](C)N(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571198711 952992922 /nfs/dbraw/zinc/99/29/22/952992922.db2.gz DPNKNEXODYVZIC-FZMZJTMJSA-N 0 1 382.428 0.991 20 0 GCADMN COc1ccc(CN2CCN(C(=O)c3cnc(C)[nH]3)CC2)cc1-c1nn[nH]n1 ZINC001571199571 953002237 /nfs/dbraw/zinc/00/22/37/953002237.db2.gz VLBGKUSZJZUBEG-UHFFFAOYSA-N 0 1 382.428 0.865 20 0 GCADMN C[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001571199662 953002762 /nfs/dbraw/zinc/00/27/62/953002762.db2.gz YAAYIMZDYPHRCB-ZCHNKJLFSA-N 0 1 382.428 0.021 20 0 GCADMN Cc1ccoc1CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O ZINC001571199729 953004279 /nfs/dbraw/zinc/00/42/79/953004279.db2.gz ALAPGSPEFNGFRP-CVEARBPZSA-N 0 1 382.424 0.672 20 0 GCADMN O=C(Cc1ncccc1F)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571199800 953005347 /nfs/dbraw/zinc/00/53/47/953005347.db2.gz CIALQIMIYAASCT-UHFFFAOYSA-N 0 1 382.403 0.863 20 0 GCADMN Cc1ccoc1CC(=O)N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571200850 953012818 /nfs/dbraw/zinc/01/28/18/953012818.db2.gz GYTMVAZOXQRBKV-OLZOCXBDSA-N 0 1 382.428 0.920 20 0 GCADMN Cc1cc(N[C@@H]2CN(C(=O)Cc3cnoc3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571201060 953014151 /nfs/dbraw/zinc/01/41/51/953014151.db2.gz JCPCIZCRDGJYFI-OAHLLOKOSA-N 0 1 382.428 0.872 20 0 GCADMN C[C@H]1CN(C(=O)c2cnn(C)c2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571204547 953030609 /nfs/dbraw/zinc/03/06/09/953030609.db2.gz ASPUCLWWAAFWDD-RYUDHWBXSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571204580 953030675 /nfs/dbraw/zinc/03/06/75/953030675.db2.gz ACOOQTGDFOKXNG-BETUJISGSA-N 0 1 382.432 0.304 20 0 GCADMN CC(C)c1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1C ZINC001571204948 953034369 /nfs/dbraw/zinc/03/43/69/953034369.db2.gz DONHQPOWAAIQGG-NSHDSACASA-N 0 1 382.432 0.262 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001571205659 953040186 /nfs/dbraw/zinc/04/01/86/953040186.db2.gz MOEGBGWBRVCVJS-VXGBXAGGSA-N 0 1 382.432 0.165 20 0 GCADMN CC(C)(C)n1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571205606 953040558 /nfs/dbraw/zinc/04/05/58/953040558.db2.gz JXAANLUNTAJOTL-LLVKDONJSA-N 0 1 382.432 0.617 20 0 GCADMN CCCc1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571205926 953045241 /nfs/dbraw/zinc/04/52/41/953045241.db2.gz OLYALJMSEHSQLX-LBPRGKRZSA-N 0 1 382.432 0.471 20 0 GCADMN CCn1nc(C)cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206101 953046875 /nfs/dbraw/zinc/04/68/75/953046875.db2.gz DDFZMHXRHNGJEJ-LBPRGKRZSA-N 0 1 382.432 0.178 20 0 GCADMN CCn1cnc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571206492 953052327 /nfs/dbraw/zinc/05/23/27/953052327.db2.gz HIXWYHLTHCSPDE-VXGBXAGGSA-N 0 1 382.432 0.448 20 0 GCADMN CCCn1ncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571206841 953056038 /nfs/dbraw/zinc/05/60/38/953056038.db2.gz XXPMUFUWNDLGPK-LBPRGKRZSA-N 0 1 382.432 0.320 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001571206901 953057144 /nfs/dbraw/zinc/05/71/44/953057144.db2.gz YVRUZKHHZJLYAY-LLVKDONJSA-N 0 1 382.432 0.165 20 0 GCADMN O=C(N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2)C1=COCCC1 ZINC001571206952 953057262 /nfs/dbraw/zinc/05/72/62/953057262.db2.gz USPVCADCQXFEPN-CHWSQXEVSA-N 0 1 382.428 0.612 20 0 GCADMN CCc1nc(-c2nn[nH]n2)cc(N(C)C[C@H]2CCCN2C(=O)c2ccn[nH]2)n1 ZINC001571206892 953057698 /nfs/dbraw/zinc/05/76/98/953057698.db2.gz YTSDNBHTUGGRSG-LLVKDONJSA-N 0 1 382.432 0.683 20 0 GCADMN O=C(N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2)C1=COCCC1 ZINC001571206954 953058146 /nfs/dbraw/zinc/05/81/46/953058146.db2.gz USPVCADCQXFEPN-QWHCGFSZSA-N 0 1 382.428 0.612 20 0 GCADMN CCn1ncc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571207135 953059965 /nfs/dbraw/zinc/05/99/65/953059965.db2.gz NPHQQXWRWCVKEW-GFCCVEGCSA-N 0 1 382.432 0.320 20 0 GCADMN CCn1ncc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1C ZINC001571207272 953060589 /nfs/dbraw/zinc/06/05/89/953060589.db2.gz PIWZUAOYOWZVJH-ZYHUDNBSSA-N 0 1 382.432 0.319 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)c2cnn(C)n2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571207471 953064000 /nfs/dbraw/zinc/06/40/00/953064000.db2.gz SFXVYLLGDCUCGC-LBPRGKRZSA-N 0 1 382.432 0.379 20 0 GCADMN CN(Cc1n[nH]c(C2CC2)n1)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571207627 953065270 /nfs/dbraw/zinc/06/52/70/953065270.db2.gz YICNPSPRKZIUFZ-NSHDSACASA-N 0 1 382.432 0.537 20 0 GCADMN O=C(CCc1cn[nH]c1)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571209836 953067987 /nfs/dbraw/zinc/06/79/87/953067987.db2.gz GFGUQUWZQNMPCH-LBPRGKRZSA-N 0 1 382.432 0.085 20 0 GCADMN Cn1nncc1CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 ZINC001571210145 953070177 /nfs/dbraw/zinc/07/01/77/953070177.db2.gz MIKAPWWERXXUAJ-IAQYHMDHSA-N 0 1 382.432 0.060 20 0 GCADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCCN(C[C@@H]2CCc3ncnn32)CC1 ZINC001571210591 953072891 /nfs/dbraw/zinc/07/28/91/953072891.db2.gz TVHZTXMOFUQMHC-ZDUSSCGKSA-N 0 1 382.432 0.122 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](Nc2nc(C)ccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571211465 953076404 /nfs/dbraw/zinc/07/64/04/953076404.db2.gz BEVVDFBHDPYIQE-TVQRCGJNSA-N 0 1 382.432 0.959 20 0 GCADMN Cc1cc(N2C[C@@H](CNC(=O)c3ncn(C)n3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211467 953076673 /nfs/dbraw/zinc/07/66/73/953076673.db2.gz BEXGORWQTVPPTR-ZYHUDNBSSA-N 0 1 382.432 0.201 20 0 GCADMN Cc1n[nH]c(C)c1CC(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211638 953079533 /nfs/dbraw/zinc/07/95/33/953079533.db2.gz DIFLQQJCIXSSPW-GFCCVEGCSA-N 0 1 382.432 0.276 20 0 GCADMN Cc1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1C ZINC001571211838 953081133 /nfs/dbraw/zinc/08/11/33/953081133.db2.gz HBGJUUPCRBAGSW-PWSUYJOCSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)C1 ZINC001571211789 953081655 /nfs/dbraw/zinc/08/16/55/953081655.db2.gz GRYZDBQBLORYLU-GRDNDAEWSA-N 0 1 382.472 0.641 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)C1 ZINC001571211789 953081658 /nfs/dbraw/zinc/08/16/58/953081658.db2.gz GRYZDBQBLORYLU-GRDNDAEWSA-N 0 1 382.472 0.641 20 0 GCADMN Cc1cc(N(C)[C@H]2CCN(C(=O)CCn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211830 953081775 /nfs/dbraw/zinc/08/17/75/953081775.db2.gz GRRSGSUIOQZHEC-ZDUSSCGKSA-N 0 1 382.432 0.289 20 0 GCADMN Cc1nnc(CN[C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1C1CC1 ZINC001571211888 953082715 /nfs/dbraw/zinc/08/27/15/953082715.db2.gz IHGMTYFDQVZBFR-HAQNSBGRSA-N 0 1 382.432 0.480 20 0 GCADMN Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571212121 953083949 /nfs/dbraw/zinc/08/39/49/953083949.db2.gz JCXRTAXLJIOROF-WCQYABFASA-N 0 1 382.432 0.486 20 0 GCADMN Cc1c(C(=O)N2C[C@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nnn1C ZINC001571212352 953086628 /nfs/dbraw/zinc/08/66/28/953086628.db2.gz MGGQGOKBEPYOSG-LKFCYVNXSA-N 0 1 382.432 0.002 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](CCNc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001571212346 953087464 /nfs/dbraw/zinc/08/74/64/953087464.db2.gz MCCBVKOFNMRPPR-GFCCVEGCSA-N 0 1 382.432 0.961 20 0 GCADMN Cc1cc(NCC2CC(NC(=O)[C@@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213122 953092191 /nfs/dbraw/zinc/09/21/91/953092191.db2.gz QTSJXMMQZWKUAH-PNESKVBLSA-N 0 1 382.432 0.151 20 0 GCADMN Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571213418 953093952 /nfs/dbraw/zinc/09/39/52/953093952.db2.gz SMNVRIDHDYANGN-NWDGAFQWSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](C)[C@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571213836 953097714 /nfs/dbraw/zinc/09/77/14/953097714.db2.gz XLXOTTPAXYWSGO-ZYHUDNBSSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1n[nH]c(C)c1CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571214198 953100571 /nfs/dbraw/zinc/10/05/71/953100571.db2.gz ZDURRNAZCXUHSM-GFCCVEGCSA-N 0 1 382.432 0.276 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cncc(F)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571217863 953111050 /nfs/dbraw/zinc/11/10/50/953111050.db2.gz QZCMCIPQFHFFLI-GXFFZTMASA-N 0 1 383.391 0.978 20 0 GCADMN COCc1ccc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571218555 953115784 /nfs/dbraw/zinc/11/57/84/953115784.db2.gz BAWQBKMOHVQTJZ-GFCCVEGCSA-N 0 1 383.412 0.997 20 0 GCADMN O=C(Cc1ccc(F)cn1)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571218529 953116297 /nfs/dbraw/zinc/11/62/97/953116297.db2.gz AQHBSQIVBOZQMO-UHFFFAOYSA-N 0 1 383.391 0.162 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571219049 953122153 /nfs/dbraw/zinc/12/21/53/953122153.db2.gz TTWZPUMXLSVRGS-BDAKNGLRSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571219049 953122154 /nfs/dbraw/zinc/12/21/54/953122154.db2.gz TTWZPUMXLSVRGS-BDAKNGLRSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571219049 953122156 /nfs/dbraw/zinc/12/21/56/953122156.db2.gz TTWZPUMXLSVRGS-BDAKNGLRSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571219049 953122157 /nfs/dbraw/zinc/12/21/57/953122157.db2.gz TTWZPUMXLSVRGS-BDAKNGLRSA-N 0 1 382.881 0.623 20 0 GCADMN CCc1noc(C)c1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571222688 953137603 /nfs/dbraw/zinc/13/76/03/953137603.db2.gz JFRGFCSUTLBNGU-NSHDSACASA-N 0 1 383.416 0.914 20 0 GCADMN CCc1ocnc1C(=O)N1CC[C@H]([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222771 953138468 /nfs/dbraw/zinc/13/84/68/953138468.db2.gz LSEHBZPMXLPCMW-QWRGUYRKSA-N 0 1 383.416 0.592 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571223282 953143210 /nfs/dbraw/zinc/14/32/10/953143210.db2.gz SFEVLUBQIZENEE-ZDUSSCGKSA-N 0 1 383.416 0.340 20 0 GCADMN CN(C[C@@H]1CCCCN1C(=O)c1ccn[nH]1)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571223262 953143303 /nfs/dbraw/zinc/14/33/03/953143303.db2.gz RXPVCTRBYRMRQK-LBPRGKRZSA-N 0 1 383.416 0.685 20 0 GCADMN CCc1nc(C(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571223715 953146043 /nfs/dbraw/zinc/14/60/43/953146043.db2.gz TUJRKZNQQBDWTK-LLVKDONJSA-N 0 1 383.416 0.948 20 0 GCADMN CCc1nc(C(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571223718 953146142 /nfs/dbraw/zinc/14/61/42/953146142.db2.gz TUJRKZNQQBDWTK-NSHDSACASA-N 0 1 383.416 0.948 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001571224053 953148618 /nfs/dbraw/zinc/14/86/18/953148618.db2.gz XOWMFTSAJLYCJN-NSHDSACASA-N 0 1 383.416 0.081 20 0 GCADMN Cc1noc(C)c1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571224678 953150748 /nfs/dbraw/zinc/15/07/48/953150748.db2.gz CQBWZGNUVHSJQE-BXKDBHETSA-N 0 1 383.416 0.764 20 0 GCADMN Cc1ncc(C(=O)N2CCO[C@@H]([C@@H](C)Nc3ccc(-c4nn[nH]n4)nc3)C2)[nH]1 ZINC001571224891 953151151 /nfs/dbraw/zinc/15/11/51/953151151.db2.gz FYKONFWKLWPPLR-MEBBXXQBSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1ncc(C(=O)N2CCO[C@H]([C@H](C)Nc3ccc(-c4nn[nH]n4)nc3)C2)[nH]1 ZINC001571224890 953151298 /nfs/dbraw/zinc/15/12/98/953151298.db2.gz FYKONFWKLWPPLR-BONVTDFDSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1nc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)co1 ZINC001571224943 953152226 /nfs/dbraw/zinc/15/22/26/953152226.db2.gz HBFAJUSZEJDQDB-JQWIXIFHSA-N 0 1 383.416 0.585 20 0 GCADMN Cc1cc(C)c(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)[nH]1 ZINC001571225271 953152516 /nfs/dbraw/zinc/15/25/16/953152516.db2.gz IZGSSMNFQKFEES-GFCCVEGCSA-N 0 1 383.416 0.237 20 0 GCADMN Cc1noc(C)c1C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571225374 953152751 /nfs/dbraw/zinc/15/27/51/953152751.db2.gz KCGLQAWOKDYKAU-UHFFFAOYSA-N 0 1 383.416 0.837 20 0 GCADMN Cc1nc(C(C)C)oc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571225649 953153358 /nfs/dbraw/zinc/15/33/58/953153358.db2.gz MIFNCIOJWLXKEY-PHIMTYICSA-N 0 1 383.416 0.871 20 0 GCADMN Cc1noc(C)c1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001571225911 953154745 /nfs/dbraw/zinc/15/47/45/953154745.db2.gz OEWBKGIXXKKATK-CABZTGNLSA-N 0 1 383.416 0.789 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](C)[C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1 ZINC001571226633 953156805 /nfs/dbraw/zinc/15/68/05/953156805.db2.gz UHXRBFHRKYEYHQ-FZMZJTMJSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1ncc(C(=O)N2CCCC[C@@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[nH]1 ZINC001571227112 953158301 /nfs/dbraw/zinc/15/83/01/953158301.db2.gz YZEKBORXJPPVAY-GFCCVEGCSA-N 0 1 383.416 0.651 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571227108 953158437 /nfs/dbraw/zinc/15/84/37/953158437.db2.gz YUQZRHGYPPZSFX-UHFFFAOYSA-N 0 1 383.416 0.444 20 0 GCADMN O=C(c1ccsn1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571230938 953181739 /nfs/dbraw/zinc/18/17/39/953181739.db2.gz NPQPIMUQQJKPKZ-ZYHUDNBSSA-N 0 1 383.441 0.854 20 0 GCADMN CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571231015 953182553 /nfs/dbraw/zinc/18/25/53/953182553.db2.gz QEIYQYODTPPQTI-JKSUJKDBSA-N 0 1 383.456 0.568 20 0 GCADMN CN1C(=O)CC[C@@H]1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571231503 953184679 /nfs/dbraw/zinc/18/46/79/953184679.db2.gz YTMLGFSPJJIPAK-JKSUJKDBSA-N 0 1 383.456 0.568 20 0 GCADMN CCN1C[C@@H](C(=O)NC[C@H]2CCN2Cc2ccccc2-c2nn[nH]n2)CC1=O ZINC001571231475 953184883 /nfs/dbraw/zinc/18/48/83/953184883.db2.gz XOUDTSQYBUIGAE-LSDHHAIUSA-N 0 1 383.456 0.426 20 0 GCADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)[C@H]2CCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571231978 953185273 /nfs/dbraw/zinc/18/52/73/953185273.db2.gz AHSAXGGBPSZLFS-YIUHCBHRSA-N 0 1 383.456 0.936 20 0 GCADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C1CCOCC1 ZINC001571232040 953185439 /nfs/dbraw/zinc/18/54/39/953185439.db2.gz 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O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000819513926 597456314 /nfs/dbraw/zinc/45/63/14/597456314.db2.gz XNVDTSANFWBJGZ-OAHLLOKOSA-N 0 1 382.438 0.932 20 0 GCADMN CCn1c(=O)[nH]c2cc(C(=O)OC[C@H]3CCC[N@H+]3CC(=O)[O-])ccc2c1=O ZINC000818357450 597456994 /nfs/dbraw/zinc/45/69/94/597456994.db2.gz OKVUTCTVHLEJSB-GFCCVEGCSA-N 0 1 375.381 0.828 20 0 GCADMN O=C([O-])Cc1cccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000819543404 597521136 /nfs/dbraw/zinc/52/11/36/597521136.db2.gz OCRVZQYCJCPPHS-HNNXBMFYSA-N 0 1 375.425 0.433 20 0 GCADMN Cc1cc(N2CCN(C(=O)C[N@H+]3CC[C@@H](C(=O)[O-])C3)CC2)nc(C(C)C)n1 ZINC000818835385 597527855 /nfs/dbraw/zinc/52/78/55/597527855.db2.gz IBCVAVVSPYQBLH-OAHLLOKOSA-N 0 1 375.473 0.964 20 0 GCADMN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)[O-])C2)cc(C(=O)OC)c1 ZINC000818517166 597528312 /nfs/dbraw/zinc/52/83/12/597528312.db2.gz ZHEMHHVIHVVWTB-QWRGUYRKSA-N 0 1 378.381 0.993 20 0 GCADMN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@@H+]2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000769751709 597535287 /nfs/dbraw/zinc/53/52/87/597535287.db2.gz UZEKRBVALDEWGN-KUHUBIRLSA-N 0 1 388.424 0.367 20 0 GCADMN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@@H](C(=O)[O-])C2)C1=O ZINC000769751709 597535288 /nfs/dbraw/zinc/53/52/88/597535288.db2.gz UZEKRBVALDEWGN-KUHUBIRLSA-N 0 1 388.424 0.367 20 0 GCADMN CC(=O)NCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H](C)C(=O)[O-] ZINC000262203477 597696415 /nfs/dbraw/zinc/69/64/15/597696415.db2.gz ISTLLCPUBOEUJT-PBHICJAKSA-N 0 1 377.441 0.325 20 0 GCADMN CC(=O)NCCN(C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)[C@H](C)C(=O)[O-] ZINC000262203477 597696417 /nfs/dbraw/zinc/69/64/17/597696417.db2.gz ISTLLCPUBOEUJT-PBHICJAKSA-N 0 1 377.441 0.325 20 0 GCADMN COCCN(C)CCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000736989403 599283349 /nfs/dbraw/zinc/28/33/49/599283349.db2.gz BABORUZGVGAEJG-UHFFFAOYSA-N 0 1 381.824 0.153 20 0 GCADMN CCc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736698820 599286901 /nfs/dbraw/zinc/28/69/01/599286901.db2.gz LBFURFWEZIVVGC-SMDDNHRTSA-N 0 1 398.427 0.915 20 0 GCADMN CCCc1nc([C@H]2CN(C(=O)COc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736496209 599287072 /nfs/dbraw/zinc/28/70/72/599287072.db2.gz ZZQGWNZCMOBHHG-CQSZACIVSA-N 0 1 398.427 0.916 20 0 GCADMN CCCc1n[nH]c([C@H]2CN(C(=O)COc3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000736496209 599287074 /nfs/dbraw/zinc/28/70/74/599287074.db2.gz ZZQGWNZCMOBHHG-CQSZACIVSA-N 0 1 398.427 0.916 20 0 GCADMN Cc1nc([C@@H]2CN(CC(=O)Nc3oc(C)c(C)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000737453220 599292422 /nfs/dbraw/zinc/29/24/22/599292422.db2.gz NZGLXPPTIBYOIP-NSHDSACASA-N 0 1 387.404 0.515 20 0 GCADMN C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)OC[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000820147714 598061471 /nfs/dbraw/zinc/06/14/71/598061471.db2.gz BHPIUGXTGXCHHL-VXGBXAGGSA-N 0 1 388.417 0.585 20 0 GCADMN NC(=O)[C@H]1CC(C(=O)OC[C@@H]2CCC[N@H+]2CC(=O)[O-])=NN1c1ccc(F)cc1 ZINC000821345315 598061648 /nfs/dbraw/zinc/06/16/48/598061648.db2.gz VXLZRBJHTXNZBX-DZGCQCFKSA-N 0 1 392.387 0.338 20 0 GCADMN CCn1c(=O)c2ccccc2n(CC(=O)OC[C@H]2CCC[N@H+]2CC(=O)[O-])c1=O ZINC000820506804 598066295 /nfs/dbraw/zinc/06/62/95/598066295.db2.gz PSZLMVLMPCANHL-CYBMUJFWSA-N 0 1 389.408 0.275 20 0 GCADMN C[C@H](NS(=O)(=O)c1cccs1)C(=O)OC[C@@H]1CCC[N@H+]1CC(=O)[O-] ZINC000820147785 598069657 /nfs/dbraw/zinc/06/96/57/598069657.db2.gz FDGQQXQSJVFUGC-QWRGUYRKSA-N 0 1 376.456 0.507 20 0 GCADMN CC(C)[N@H+](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000820009452 598077273 /nfs/dbraw/zinc/07/72/73/598077273.db2.gz HMZLVUINJUVCFB-UHFFFAOYSA-N 0 1 383.470 0.315 20 0 GCADMN CC(C)[N@@H+](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000820009452 598077276 /nfs/dbraw/zinc/07/72/76/598077276.db2.gz HMZLVUINJUVCFB-UHFFFAOYSA-N 0 1 383.470 0.315 20 0 GCADMN Cc1nc([C@H]2CN(CC(=O)Nc3sccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000737453908 599292481 /nfs/dbraw/zinc/29/24/81/599292481.db2.gz SMKZYDAURXFLIZ-SNVBAGLBSA-N 0 1 375.418 0.367 20 0 GCADMN Cc1nc([C@@H]2CN(C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000737454032 599292495 /nfs/dbraw/zinc/29/24/95/599292495.db2.gz VLYZIDMFGLPPGJ-ZFWWWQNUSA-N 0 1 386.416 0.106 20 0 GCADMN CS(=O)(=O)N[C@H]1CCCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000737165770 598250127 /nfs/dbraw/zinc/25/01/27/598250127.db2.gz OCFCGQCNDUJZGY-ZDUSSCGKSA-N 0 1 375.458 0.633 20 0 GCADMN CC(C)C(=O)N[C@H]1CCCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000735685225 598251187 /nfs/dbraw/zinc/25/11/87/598251187.db2.gz RRKLMNUILIEYCR-JKSUJKDBSA-N 0 1 388.472 0.843 20 0 GCADMN COCC[C@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736979360 598284041 /nfs/dbraw/zinc/28/40/41/598284041.db2.gz RQCIBRLAVKSEIO-NSHDSACASA-N 0 1 390.448 0.989 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCCN2CCO[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000737186547 598286538 /nfs/dbraw/zinc/28/65/38/598286538.db2.gz JIGFOYNQMFMHSP-VIFPVBQESA-N 0 1 379.446 0.140 20 0 GCADMN CSCCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737182984 598306116 /nfs/dbraw/zinc/30/61/16/598306116.db2.gz XDUVWLVSYGTXOX-UHFFFAOYSA-N 0 1 378.462 0.927 20 0 GCADMN CN(CC(=O)NCc1ccc(-c2nn[nH]n2)cc1F)c1ncnc2[nH]cnc21 ZINC000736784118 598308780 /nfs/dbraw/zinc/30/87/80/598308780.db2.gz QWOBMHHJMSHXBS-UHFFFAOYSA-N 0 1 382.363 0.425 20 0 GCADMN CCOCCN1CCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736617223 598343747 /nfs/dbraw/zinc/34/37/47/598343747.db2.gz BJQSNVZPBLYQTH-INIZCTEOSA-N 0 1 376.461 0.261 20 0 GCADMN C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000736762440 598346696 /nfs/dbraw/zinc/34/66/96/598346696.db2.gz HXJXFOOVFKWIBC-UHFFFAOYSA-N 0 1 387.492 0.577 20 0 GCADMN C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000736762440 598346697 /nfs/dbraw/zinc/34/66/97/598346697.db2.gz HXJXFOOVFKWIBC-UHFFFAOYSA-N 0 1 387.492 0.577 20 0 GCADMN Cc1oc(NC(=O)CN2CCC([N@H+](C)CCO)CC2)c(-c2nn[n-]n2)c1C ZINC000737551104 598350414 /nfs/dbraw/zinc/35/04/14/598350414.db2.gz FQRGAOGEQGLKSN-UHFFFAOYSA-N 0 1 377.449 0.404 20 0 GCADMN Cc1oc(NC(=O)CN2CCC([N@@H+](C)CCO)CC2)c(-c2nn[n-]n2)c1C ZINC000737551104 598350416 /nfs/dbraw/zinc/35/04/16/598350416.db2.gz FQRGAOGEQGLKSN-UHFFFAOYSA-N 0 1 377.449 0.404 20 0 GCADMN CO[C@H](C)CCNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736958076 598362306 /nfs/dbraw/zinc/36/23/06/598362306.db2.gz MZSXMSUSULAELH-LLVKDONJSA-N 0 1 390.448 0.989 20 0 GCADMN C[C@H](O)CN1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1C ZINC000736145599 598363958 /nfs/dbraw/zinc/36/39/58/598363958.db2.gz CVFFLQMKUZGEJN-ZQIUZPCESA-N 0 1 385.472 0.359 20 0 GCADMN CC[C@@H](O)C[NH+]1CCN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)CC1 ZINC000736382653 598376512 /nfs/dbraw/zinc/37/65/12/598376512.db2.gz NCOOAQRNDTVDCN-SNVBAGLBSA-N 0 1 393.473 0.218 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)o1 ZINC000737467463 598396258 /nfs/dbraw/zinc/39/62/58/598396258.db2.gz POCSHONVKXPVGG-UHFFFAOYSA-N 0 1 376.465 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC2)o1 ZINC000737467463 598396263 /nfs/dbraw/zinc/39/62/63/598396263.db2.gz POCSHONVKXPVGG-UHFFFAOYSA-N 0 1 376.465 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)o1 ZINC000737467463 598396265 /nfs/dbraw/zinc/39/62/65/598396265.db2.gz POCSHONVKXPVGG-UHFFFAOYSA-N 0 1 376.465 0.790 20 0 GCADMN C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736002039 598401253 /nfs/dbraw/zinc/40/12/53/598401253.db2.gz OHLQZIUKQHSEDU-MAUKXSAKSA-N 0 1 398.515 0.588 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000282050185 598405551 /nfs/dbraw/zinc/40/55/51/598405551.db2.gz CCDQMVYSVNSAKK-LLVKDONJSA-N 0 1 399.908 0.434 20 0 GCADMN CN1CCN(c2cc(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)ccn2)CC1 ZINC000736866393 598459720 /nfs/dbraw/zinc/45/97/20/598459720.db2.gz DKFXGKXITBBBBE-UHFFFAOYSA-N 0 1 379.428 0.339 20 0 GCADMN CN(C[C@@H]1CCCOC1)CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000736791756 598467278 /nfs/dbraw/zinc/46/72/78/598467278.db2.gz NVYRTOXYIOIOLB-AWEZNQCLSA-N 0 1 399.455 0.947 20 0 GCADMN CSc1n[nH]c(NC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737189525 598471774 /nfs/dbraw/zinc/47/17/74/598471774.db2.gz NSPKNTXQPKOZKK-UHFFFAOYSA-N 0 1 394.442 0.260 20 0 GCADMN O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738354637 598472312 /nfs/dbraw/zinc/47/23/12/598472312.db2.gz IULURESDICGKJU-ZDUSSCGKSA-N 0 1 377.474 0.901 20 0 GCADMN O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000738354637 598472313 /nfs/dbraw/zinc/47/23/13/598472313.db2.gz IULURESDICGKJU-ZDUSSCGKSA-N 0 1 377.474 0.901 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000737488139 598498337 /nfs/dbraw/zinc/49/83/37/598498337.db2.gz PJTBPVQNYSPBGJ-CQSZACIVSA-N 0 1 397.487 0.917 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000737488139 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O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000263581045 600389690 /nfs/dbraw/zinc/38/96/90/600389690.db2.gz WRBFWWBWPQNOCF-HNNXBMFYSA-N 0 1 399.444 0.208 20 0 GCADMN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000263581045 600389693 /nfs/dbraw/zinc/38/96/93/600389693.db2.gz WRBFWWBWPQNOCF-HNNXBMFYSA-N 0 1 399.444 0.208 20 0 GCADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000736206864 600412127 /nfs/dbraw/zinc/41/21/27/600412127.db2.gz ZMAAEXGGTFTMPN-CQSZACIVSA-N 0 1 388.468 0.619 20 0 GCADMN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000736488140 600418760 /nfs/dbraw/zinc/41/87/60/600418760.db2.gz QLPXVRNEHZIYNE-CQSZACIVSA-N 0 1 392.456 0.473 20 0 GCADMN COCCN(CC(=O)[O-])C(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C ZINC000737778512 600421234 /nfs/dbraw/zinc/42/12/34/600421234.db2.gz IPTQGZWASHDBBK-UHFFFAOYSA-N 0 1 387.440 0.737 20 0 GCADMN COc1ccc(CN2CC[C@@]3(C2)NC(=O)N(C(C)C)C3=O)cc1-c1nn[nH]n1 ZINC000821794480 607445132 /nfs/dbraw/zinc/44/51/32/607445132.db2.gz IMCYQTIXGOGTLA-SFHVURJKSA-N 0 1 385.428 0.780 20 0 GCADMN O=C([O-])COc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000739822820 600469779 /nfs/dbraw/zinc/46/97/79/600469779.db2.gz ARLZIDGNVJAKDW-UKRRQHHQSA-N 0 1 377.397 0.068 20 0 GCADMN O=C([O-])COc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000738616153 600469804 /nfs/dbraw/zinc/46/98/04/600469804.db2.gz MLSHQHMONRPFFO-ZFWWWQNUSA-N 0 1 377.397 0.068 20 0 GCADMN COCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)C1 ZINC000737811353 600500089 /nfs/dbraw/zinc/50/00/89/600500089.db2.gz LMBJBIZGJZOQML-HNNXBMFYSA-N 0 1 378.429 0.272 20 0 GCADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)CC1=O ZINC000737113175 600501531 /nfs/dbraw/zinc/50/15/31/600501531.db2.gz BJULTSJQPNLSCA-BRWVUGGUSA-N 0 1 395.500 0.802 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(N(C)C(=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000736588657 600508351 /nfs/dbraw/zinc/50/83/51/600508351.db2.gz RBLVSORHVZLVOA-ZDUSSCGKSA-N 0 1 378.429 0.824 20 0 GCADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000738474138 600509813 /nfs/dbraw/zinc/50/98/13/600509813.db2.gz XQMJBLUXQZTIEB-ZDUSSCGKSA-N 0 1 393.440 0.481 20 0 GCADMN Nc1c(C(=O)C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000739201323 600512303 /nfs/dbraw/zinc/51/23/03/600512303.db2.gz PVTLFFNUYMUYJE-LLVKDONJSA-N 0 1 380.401 0.004 20 0 GCADMN Nc1c(C(=O)C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c(=O)[nH]c(=O)n1C1CC1 ZINC000739201323 600512304 /nfs/dbraw/zinc/51/23/04/600512304.db2.gz PVTLFFNUYMUYJE-LLVKDONJSA-N 0 1 380.401 0.004 20 0 GCADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000737650838 600515935 /nfs/dbraw/zinc/51/59/35/600515935.db2.gz NTPORFVLJFGFKR-JTQLQIEISA-N 0 1 399.469 0.478 20 0 GCADMN COC(=O)c1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH+](C[C@@H](C)O)CC1 ZINC000737680058 600515995 /nfs/dbraw/zinc/51/59/95/600515995.db2.gz CVVFOHTUERBCBP-OLZOCXBDSA-N 0 1 393.440 0.497 20 0 GCADMN O=C([O-])CC[N@H+](CC(=O)N1CCN(C(=O)c2ccco2)CC1)C[C@H]1CCCO1 ZINC000739717228 600516297 /nfs/dbraw/zinc/51/62/97/600516297.db2.gz HLCKGOLBTQNBOO-OAHLLOKOSA-N 0 1 393.440 0.520 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3Cc4ccccc4C3)CC2)o1 ZINC000822423444 607450954 /nfs/dbraw/zinc/45/09/54/607450954.db2.gz LEOPTYOEKXEYNP-UHFFFAOYSA-N 0 1 394.439 0.828 20 0 GCADMN O=C([O-])CC[N@@H+](CCC(=O)N1CCN(c2ncccn2)CC1)C[C@H]1CCCO1 ZINC000739725205 600538639 /nfs/dbraw/zinc/53/86/39/600538639.db2.gz VRJANWHSOFTDGQ-MRXNPFEDSA-N 0 1 391.472 0.471 20 0 GCADMN COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)C1 ZINC000737808813 600547541 /nfs/dbraw/zinc/54/75/41/600547541.db2.gz FLTCAJIVZDNMQY-OAHLLOKOSA-N 0 1 378.429 0.733 20 0 GCADMN CC[C@H](O)C[NH+]1CCN(Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)CC1 ZINC000736925560 600557725 /nfs/dbraw/zinc/55/77/25/600557725.db2.gz AINUDNUBXFWQMD-NSHDSACASA-N 0 1 380.470 0.880 20 0 GCADMN C[N@@H+](CCN1CCN(Cn2nc(C(=O)[O-])ccc2=O)CC1)Cc1ccccc1 ZINC000737442657 600558649 /nfs/dbraw/zinc/55/86/49/600558649.db2.gz ZUUGLDPFNYYZKD-UHFFFAOYSA-N 0 1 385.468 0.649 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1ccc(CNC(=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000736587900 600570406 /nfs/dbraw/zinc/57/04/06/600570406.db2.gz HGIFFPDQGLOYFH-AWEZNQCLSA-N 0 1 391.472 0.392 20 0 GCADMN C[N@H+]1CCC[C@@H](N2CCN(c3ccc(S(N)(=O)=O)cc3C(=O)[O-])CC2)C1 ZINC000737521098 600625388 /nfs/dbraw/zinc/62/53/88/600625388.db2.gz MZTQZJZSKVSCCE-CYBMUJFWSA-N 0 1 382.486 0.248 20 0 GCADMN C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3cc(F)ccc3C(=O)[O-])CC2)C1 ZINC000737519136 600637429 /nfs/dbraw/zinc/63/74/29/600637429.db2.gz HBFPGNZNHAJNHW-AWEZNQCLSA-N 0 1 385.461 0.924 20 0 GCADMN COCC[N@@H+](CCC(=O)[O-])CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000737794646 600641965 /nfs/dbraw/zinc/64/19/65/600641965.db2.gz QVBZPJQFEYWUCE-MRXNPFEDSA-N 0 1 397.516 0.907 20 0 GCADMN O=C([O-])[C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000739568643 600653750 /nfs/dbraw/zinc/65/37/50/600653750.db2.gz NMLFMKSLZLKSRZ-HOTGVXAUSA-N 0 1 375.473 0.996 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])cc1F)CN1CC[NH+](C)CC1 ZINC000736586197 600654383 /nfs/dbraw/zinc/65/43/83/600654383.db2.gz MHXVHBGNGHMBBF-GFCCVEGCSA-N 0 1 380.420 0.462 20 0 GCADMN Cc1c(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cccc1C(=O)[O-] ZINC000738303670 600654443 /nfs/dbraw/zinc/65/44/43/600654443.db2.gz ZCOPPUYLNXMKOX-ZDUSSCGKSA-N 0 1 376.457 0.631 20 0 GCADMN Cc1cc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)ccc1C(=O)[O-] ZINC000738410689 600654469 /nfs/dbraw/zinc/65/44/69/600654469.db2.gz KLTUXUSDBFRSKJ-ZDUSSCGKSA-N 0 1 376.457 0.631 20 0 GCADMN Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000738518400 600654506 /nfs/dbraw/zinc/65/45/06/600654506.db2.gz KOOURABEZHDENR-CYBMUJFWSA-N 0 1 376.457 0.631 20 0 GCADMN Cc1cc(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)ccc1C(=O)[O-] ZINC000738410687 600654522 /nfs/dbraw/zinc/65/45/22/600654522.db2.gz KLTUXUSDBFRSKJ-CYBMUJFWSA-N 0 1 376.457 0.631 20 0 GCADMN C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)C1 ZINC000737528622 600655566 /nfs/dbraw/zinc/65/55/66/600655566.db2.gz ACYREFZGPIDHHZ-JKSUJKDBSA-N 0 1 381.860 0.941 20 0 GCADMN C[N@H+]1CCO[C@H](C(=O)N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)C1 ZINC000737528622 600655568 /nfs/dbraw/zinc/65/55/68/600655568.db2.gz ACYREFZGPIDHHZ-JKSUJKDBSA-N 0 1 381.860 0.941 20 0 GCADMN CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCSC[C@@H]2CC(=O)[O-])CC1=O ZINC000737113591 600697367 /nfs/dbraw/zinc/69/73/67/600697367.db2.gz FCUFIUNZOWOMJR-KFWWJZLASA-N 0 1 383.514 0.738 20 0 GCADMN O=C([O-])Cn1cc(S(=O)(=O)NC2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000833274313 600715298 /nfs/dbraw/zinc/71/52/98/600715298.db2.gz UBHRLBHCJNABFM-UHFFFAOYSA-N 0 1 379.442 0.306 20 0 GCADMN Cc1ccc([C@@H](CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)[NH+]2CCCC2)o1 ZINC000832922605 600733398 /nfs/dbraw/zinc/73/33/98/600733398.db2.gz BCJJCXDEDINEKJ-CQSZACIVSA-N 0 1 382.442 0.985 20 0 GCADMN Cc1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccc1C(=O)[O-] ZINC000505814281 600734636 /nfs/dbraw/zinc/73/46/36/600734636.db2.gz FTVMZXMUCKTGJU-ZDUSSCGKSA-N 0 1 383.470 0.559 20 0 GCADMN COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2nn[nH]n2)cc1F ZINC000821691084 607466051 /nfs/dbraw/zinc/46/60/51/607466051.db2.gz IBGRMTMPPHAFTD-CYBMUJFWSA-N 0 1 392.416 0.988 20 0 GCADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000818008383 600752853 /nfs/dbraw/zinc/75/28/53/600752853.db2.gz FQVRKNJSDKUBOP-WBVHZDCISA-N 0 1 376.457 0.692 20 0 GCADMN C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000818008380 600752998 /nfs/dbraw/zinc/75/29/98/600752998.db2.gz FQVRKNJSDKUBOP-NVXWUHKLSA-N 0 1 376.457 0.692 20 0 GCADMN Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000833010076 600753074 /nfs/dbraw/zinc/75/30/74/600753074.db2.gz CLHRLPFZZBXVSY-UHFFFAOYSA-N 0 1 376.398 0.335 20 0 GCADMN Cc1[nH+]ccn1-c1ncccc1CNS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000833010071 600753124 /nfs/dbraw/zinc/75/31/24/600753124.db2.gz CJMPCIFBZBLSPF-UHFFFAOYSA-N 0 1 379.442 0.707 20 0 GCADMN COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c(C(=O)[O-])s1 ZINC000831338163 600767449 /nfs/dbraw/zinc/76/74/49/600767449.db2.gz VNIITTKBCIWSPC-VIFPVBQESA-N 0 1 376.456 0.948 20 0 GCADMN COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c(C(=O)[O-])s1 ZINC000831338163 600767451 /nfs/dbraw/zinc/76/74/51/600767451.db2.gz VNIITTKBCIWSPC-VIFPVBQESA-N 0 1 376.456 0.948 20 0 GCADMN COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000831374844 600772041 /nfs/dbraw/zinc/77/20/41/600772041.db2.gz WIXXFKWIQIWFNR-ZDUSSCGKSA-N 0 1 380.422 0.806 20 0 GCADMN CCOC[C@@H](O)C[NH+]1CCN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000829985035 600795672 /nfs/dbraw/zinc/79/56/72/600795672.db2.gz VIPCWRLPQSCJTO-DZGCQCFKSA-N 0 1 397.497 0.567 20 0 GCADMN CCOC[C@@H](O)C[NH+]1CCN([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC1 ZINC000829985038 600795833 /nfs/dbraw/zinc/79/58/33/600795833.db2.gz VIPCWRLPQSCJTO-ZFWWWQNUSA-N 0 1 397.497 0.567 20 0 GCADMN C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000736644792 600812885 /nfs/dbraw/zinc/81/28/85/600812885.db2.gz GHLVLRZENPTGME-XIRDDKMYSA-N 0 1 377.441 0.771 20 0 GCADMN C[C@H](NC(=O)N1CCO[C@H](C(=O)[O-])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000736644792 600812887 /nfs/dbraw/zinc/81/28/87/600812887.db2.gz GHLVLRZENPTGME-XIRDDKMYSA-N 0 1 377.441 0.771 20 0 GCADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000831919283 600839500 /nfs/dbraw/zinc/83/95/00/600839500.db2.gz UENUJDPRAHPXBL-DLBZAZTESA-N 0 1 394.468 0.930 20 0 GCADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1)C(=O)[O-] ZINC000828709321 600847810 /nfs/dbraw/zinc/84/78/10/600847810.db2.gz QWOSZIMGKSRCKT-MMNPAVHPSA-N 0 1 382.505 0.086 20 0 GCADMN CCOC(=O)N1CCC(NC(=O)C[N@@H+](CCC(=O)[O-])C2CCOCC2)CC1 ZINC000829857106 600860123 /nfs/dbraw/zinc/86/01/23/600860123.db2.gz IBMSKPFPKQWXAR-UHFFFAOYSA-N 0 1 385.461 0.679 20 0 GCADMN COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CC[NH+](C(C)C)CC2)c1OC ZINC000831882536 600874540 /nfs/dbraw/zinc/87/45/40/600874540.db2.gz FYGLFGUWDAEAGK-UHFFFAOYSA-N 0 1 379.413 0.893 20 0 GCADMN CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(C(=O)OC)c(C(=O)[O-])c2)C1 ZINC000829502145 600879370 /nfs/dbraw/zinc/87/93/70/600879370.db2.gz NGZGDEXWTXUVAP-GFCCVEGCSA-N 0 1 391.424 0.958 20 0 GCADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1sccc1C(=O)[O-] ZINC000830543002 600884726 /nfs/dbraw/zinc/88/47/26/600884726.db2.gz UGUJIVKCALKALC-LBPRGKRZSA-N 0 1 396.469 0.444 20 0 GCADMN O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000833205763 600887601 /nfs/dbraw/zinc/88/76/01/600887601.db2.gz IOMJSLXSOUESLT-HZPDHXFCSA-N 0 1 375.425 0.079 20 0 GCADMN O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000833205763 600887602 /nfs/dbraw/zinc/88/76/02/600887602.db2.gz IOMJSLXSOUESLT-HZPDHXFCSA-N 0 1 375.425 0.079 20 0 GCADMN CCN1CC[NH+](CCC(=O)Nc2cccc(S(=O)(=O)NCC(=O)[O-])c2)CC1 ZINC000829776438 600892414 /nfs/dbraw/zinc/89/24/14/600892414.db2.gz OJTPDGURZLDIJX-UHFFFAOYSA-N 0 1 398.485 0.016 20 0 GCADMN COC(=O)c1cc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)ccc1C(=O)[O-] ZINC000831252182 600892929 /nfs/dbraw/zinc/89/29/29/600892929.db2.gz QJEHEMZTWPLCFI-UHFFFAOYSA-N 0 1 389.408 0.807 20 0 GCADMN COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)cc1C(=O)[O-] ZINC000831391328 600893449 /nfs/dbraw/zinc/89/34/49/600893449.db2.gz XAVCPXXXQXQIIW-UHFFFAOYSA-N 0 1 389.408 0.807 20 0 GCADMN CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(C(=O)OC)c1 ZINC000829771448 600895438 /nfs/dbraw/zinc/89/54/38/600895438.db2.gz WQRHLJUDOJSYBH-LBPRGKRZSA-N 0 1 377.397 0.710 20 0 GCADMN COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)C1 ZINC000831741965 600901118 /nfs/dbraw/zinc/90/11/18/600901118.db2.gz WGSSBDXESLTKSV-OAHLLOKOSA-N 0 1 377.441 0.824 20 0 GCADMN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C(=O)[O-] ZINC000831395096 600910988 /nfs/dbraw/zinc/91/09/88/600910988.db2.gz XWAUEHUJEIYDGA-CMPLNLGQSA-N 0 1 377.397 0.709 20 0 GCADMN COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1OC ZINC000831888219 600910994 /nfs/dbraw/zinc/91/09/94/600910994.db2.gz VEWSORZMBUFZKA-JQWIXIFHSA-N 0 1 379.413 0.939 20 0 GCADMN CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)[O-] ZINC000424244175 600917810 /nfs/dbraw/zinc/91/78/10/600917810.db2.gz JEOKABXZVKXJTE-CVEARBPZSA-N 0 1 383.489 0.563 20 0 GCADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000737868531 600980590 /nfs/dbraw/zinc/98/05/90/600980590.db2.gz TWZGOYMNLFXPID-WBVHZDCISA-N 0 1 394.468 0.787 20 0 GCADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000737868524 600980802 /nfs/dbraw/zinc/98/08/02/600980802.db2.gz TWZGOYMNLFXPID-DOTOQJQBSA-N 0 1 394.468 0.787 20 0 GCADMN NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2CC(=O)[O-])cc1Cl ZINC000833086534 600984467 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/nfs/dbraw/zinc/88/89/14/606888914.db2.gz WDYSQZKXMPVPFS-UHFFFAOYSA-N 0 1 391.400 0.866 20 0 GCADMN O=S(=O)(NCCNc1cnccn1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578401 606889510 /nfs/dbraw/zinc/88/95/10/606889510.db2.gz OOASWRCEFNTVCY-UHFFFAOYSA-N 0 1 382.356 0.325 20 0 GCADMN CC(C)(C)NC(=O)CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000819922590 606889727 /nfs/dbraw/zinc/88/97/27/606889727.db2.gz MSBMEUBMTBTPMA-UHFFFAOYSA-N 0 1 388.400 0.728 20 0 GCADMN O=S(=O)(N[C@H]1CCc2ncnn2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572526 606892945 /nfs/dbraw/zinc/89/29/45/606892945.db2.gz IQQWCWYPDPZAFN-QMMMGPOBSA-N 0 1 382.356 0.030 20 0 GCADMN COC[C@](C)(NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)OC ZINC000821680294 606896003 /nfs/dbraw/zinc/89/60/03/606896003.db2.gz FODLSTPFFPHBQR-ZDUSSCGKSA-N 0 1 391.356 0.001 20 0 GCADMN NS(=O)(=O)c1ccc(CNC[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000822895393 606919675 /nfs/dbraw/zinc/91/96/75/606919675.db2.gz QNQNIUNFOBGSIR-GFCCVEGCSA-N 0 1 380.455 0.399 20 0 GCADMN CC(=O)N1CCCN([C@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)CC1 ZINC000819796350 606974779 /nfs/dbraw/zinc/97/47/79/606974779.db2.gz FYOQLUBVEIYCDR-WBMJQRKESA-N 0 1 386.460 0.210 20 0 GCADMN CC(=O)N1CCCN([C@@H]2CN(C(=O)c3cccc(-c4nn[nH]n4)c3)C[C@H]2C)CC1 ZINC000819796445 607062639 /nfs/dbraw/zinc/06/26/39/607062639.db2.gz IRYAUTHEQJBDLT-RDTXWAMCSA-N 0 1 397.483 0.881 20 0 GCADMN CC(=O)N1CCCN([C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cc3)C[C@@H]2C)CC1 ZINC000819796127 607062863 /nfs/dbraw/zinc/06/28/63/607062863.db2.gz CVHGFSYJKOCSBE-KBXCAEBGSA-N 0 1 397.483 0.881 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000821623266 607083160 /nfs/dbraw/zinc/08/31/60/607083160.db2.gz HXAHFTJUUOHFDZ-GFCCVEGCSA-N 0 1 375.458 0.307 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2sccc2-c2nn[n-]n2)CC1 ZINC000821623266 607083162 /nfs/dbraw/zinc/08/31/62/607083162.db2.gz HXAHFTJUUOHFDZ-GFCCVEGCSA-N 0 1 375.458 0.307 20 0 GCADMN CCc1nc([C@@H]2CN(C(=O)NCc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 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OSRFXUPULCLGNH-FUHWJXTLSA-N 0 1 399.499 0.526 20 0 GCADMN CC[C@H]1CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820994957 607175245 /nfs/dbraw/zinc/17/52/45/607175245.db2.gz LTJBQTVEYICWTD-FUHWJXTLSA-N 0 1 399.499 0.526 20 0 GCADMN CC[C@H]1CN(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C[C@H]1N1CCOCC1 ZINC000820994220 607177185 /nfs/dbraw/zinc/17/71/85/607177185.db2.gz FVRZJPAGWZJMQU-WMLDXEAASA-N 0 1 385.472 0.848 20 0 GCADMN O=C(NCc1cccc(-c2nn[nH]n2)c1)C(=O)Nc1cnn(-c2ccncc2)c1 ZINC000823254031 607180371 /nfs/dbraw/zinc/18/03/71/607180371.db2.gz OIZGAVXTJUMRIK-UHFFFAOYSA-N 0 1 389.379 0.702 20 0 GCADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000821401005 607184576 /nfs/dbraw/zinc/18/45/76/607184576.db2.gz SBIZWVVMIJCYRE-SNVBAGLBSA-N 0 1 398.427 0.983 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000822614585 607194826 /nfs/dbraw/zinc/19/48/26/607194826.db2.gz NZZPBLBKXWJHIR-UONOGXRCSA-N 0 1 389.464 0.490 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000822614585 607194827 /nfs/dbraw/zinc/19/48/27/607194827.db2.gz NZZPBLBKXWJHIR-UONOGXRCSA-N 0 1 389.464 0.490 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000822613107 607194976 /nfs/dbraw/zinc/19/49/76/607194976.db2.gz APIFPLAGYATFTD-QWHCGFSZSA-N 0 1 375.437 0.100 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000822613107 607194977 /nfs/dbraw/zinc/19/49/77/607194977.db2.gz APIFPLAGYATFTD-QWHCGFSZSA-N 0 1 375.437 0.100 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-n2cnc3ccccc32)nc1 ZINC000823131488 607206801 /nfs/dbraw/zinc/20/68/01/607206801.db2.gz HZLOWZNZCMEIQD-UHFFFAOYSA-N 0 1 387.367 0.831 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000823136093 607207606 /nfs/dbraw/zinc/20/76/06/607207606.db2.gz JRQXPRDYQPMXMY-LBPRGKRZSA-N 0 1 383.372 0.214 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1cccc(OCc2ccccn2)c1 ZINC000823131783 607208370 /nfs/dbraw/zinc/20/83/70/607208370.db2.gz OMUWGDIKXVATFS-UHFFFAOYSA-N 0 1 391.395 0.749 20 0 GCADMN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)n1 ZINC000822323708 607208845 /nfs/dbraw/zinc/20/88/45/607208845.db2.gz NOYZPZCAJKJZNZ-LBPRGKRZSA-N 0 1 396.415 0.039 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1cc(F)cc(Br)c1 ZINC000823131556 607209929 /nfs/dbraw/zinc/20/99/29/607209929.db2.gz JPSDQMLTIMVDQV-UHFFFAOYSA-N 0 1 381.169 0.676 20 0 GCADMN C[C@@H](Cc1cccc(Br)c1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820301694 607210915 /nfs/dbraw/zinc/21/09/15/607210915.db2.gz ZLQSIAGYNVJXND-VIFPVBQESA-N 0 1 391.233 0.968 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(OCCc2ccccc2)CC1 ZINC000823122805 607211212 /nfs/dbraw/zinc/21/12/12/607211212.db2.gz IMWPBIUAFLZAMX-UHFFFAOYSA-N 0 1 382.428 0.709 20 0 GCADMN COc1cccc(CN(C[C@H]2CCCO2)C(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821868811 607211314 /nfs/dbraw/zinc/21/13/14/607211314.db2.gz VPKGAJUZWBNQFU-OAHLLOKOSA-N 0 1 398.427 0.675 20 0 GCADMN CC(C)(CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc2c(c1)OCCO2 ZINC000819981066 607211661 /nfs/dbraw/zinc/21/16/61/607211661.db2.gz MAQKBDZCQQDMCW-UHFFFAOYSA-N 0 1 384.400 0.323 20 0 GCADMN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821662507 607211943 /nfs/dbraw/zinc/21/19/43/607211943.db2.gz FXZGVGHPAFRHJU-UHFFFAOYSA-N 0 1 390.791 0.313 20 0 GCADMN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821015159 607212008 /nfs/dbraw/zinc/21/20/08/607212008.db2.gz OMZZMJNSSMBUHH-VXGBXAGGSA-N 0 1 375.437 0.002 20 0 GCADMN CCOC(=O)Cn1ccc2cc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccc21 ZINC000821334798 607212035 /nfs/dbraw/zinc/21/20/35/607212035.db2.gz PWYDVCKFKSPBPI-UHFFFAOYSA-N 0 1 395.383 0.615 20 0 GCADMN COc1cccc(N2CC[C@H](CNC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)c1 ZINC000821871789 607212740 /nfs/dbraw/zinc/21/27/40/607212740.db2.gz DQYKHEHFZAWLGM-GFCCVEGCSA-N 0 1 383.416 0.110 20 0 GCADMN COc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(C(F)(F)F)c1 ZINC000821798916 607212807 /nfs/dbraw/zinc/21/28/07/607212807.db2.gz SWKUFHZEKFDXLG-UHFFFAOYSA-N 0 1 382.306 0.802 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000823127120 607212990 /nfs/dbraw/zinc/21/29/90/607212990.db2.gz UDASLAWACFQAPO-MNOVXSKESA-N 0 1 389.217 0.893 20 0 GCADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000821614550 607213457 /nfs/dbraw/zinc/21/34/57/607213457.db2.gz KKNZDJAUVWDEOL-UHFFFAOYSA-N 0 1 395.471 0.829 20 0 GCADMN C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821614550 607213458 /nfs/dbraw/zinc/21/34/58/607213458.db2.gz KKNZDJAUVWDEOL-UHFFFAOYSA-N 0 1 395.471 0.829 20 0 GCADMN C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821614550 607213459 /nfs/dbraw/zinc/21/34/59/607213459.db2.gz KKNZDJAUVWDEOL-UHFFFAOYSA-N 0 1 395.471 0.829 20 0 GCADMN CCc1noc(-c2ccc(CCNC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)n1 ZINC000821554531 607213641 /nfs/dbraw/zinc/21/36/41/607213641.db2.gz OBUZLLBDPZJYFV-UHFFFAOYSA-N 0 1 394.399 0.430 20 0 GCADMN CC(C)(C)c1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n(-c2ccccn2)n1 ZINC000819958839 607214016 /nfs/dbraw/zinc/21/40/16/607214016.db2.gz RHZKRCFTVICUAK-UHFFFAOYSA-N 0 1 393.415 0.975 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N=c1sccn1Cc1ccccc1F ZINC000823126603 607214346 /nfs/dbraw/zinc/21/43/46/607214346.db2.gz JZTDCQSOPXVPJH-UHFFFAOYSA-N 0 1 385.388 0.636 20 0 GCADMN C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000820734155 607218870 /nfs/dbraw/zinc/21/88/70/607218870.db2.gz LKJKQVKZDSNNLA-MNOVXSKESA-N 0 1 391.436 0.220 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000823127036 607219225 /nfs/dbraw/zinc/21/92/25/607219225.db2.gz RAXASGBNDCOBMM-NSHDSACASA-N 0 1 387.835 0.897 20 0 GCADMN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819939655 607219364 /nfs/dbraw/zinc/21/93/64/607219364.db2.gz HRCUJFUVAYGKNN-MNOVXSKESA-N 0 1 391.436 0.268 20 0 GCADMN Cc1ccc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)nn1 ZINC000822266707 607219651 /nfs/dbraw/zinc/21/96/51/607219651.db2.gz FKQUUNCJHAGPQC-UHFFFAOYSA-N 0 1 378.356 0.988 20 0 GCADMN CC(C)(C)OC(=O)Cc1ccccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819928629 607220625 /nfs/dbraw/zinc/22/06/25/607220625.db2.gz SMLRZCLELRGEER-UHFFFAOYSA-N 0 1 384.400 0.981 20 0 GCADMN CC[C@H]1Oc2cc([C@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccc2NC1=O ZINC000821000592 607220966 /nfs/dbraw/zinc/22/09/66/607220966.db2.gz GYRAWQMFTGUYGQ-JOYOIKCWSA-N 0 1 397.399 0.445 20 0 GCADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(Cc2ccccc2)no1 ZINC000820333974 607221126 /nfs/dbraw/zinc/22/11/26/607221126.db2.gz HYSYRHCQPIRVEA-JTQLQIEISA-N 0 1 380.372 0.309 20 0 GCADMN O=C(C[C@H]1COCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccs1 ZINC000822946072 607222224 /nfs/dbraw/zinc/22/22/24/607222224.db2.gz UOXVKYJNPFBZPJ-JTQLQIEISA-N 0 1 388.413 0.020 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCNc1ccc(-c2ccccc2)nn1 ZINC000823131298 607222668 /nfs/dbraw/zinc/22/26/68/607222668.db2.gz FOKZVIDVXIXQBY-UHFFFAOYSA-N 0 1 391.399 0.144 20 0 GCADMN CCOC(=O)c1sc([C@@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)nc1C ZINC000821346952 607222960 /nfs/dbraw/zinc/22/29/60/607222960.db2.gz RYQGLQYXJSISIR-MRVPVSSYSA-N 0 1 391.417 0.277 20 0 GCADMN COC(=O)CCCc1csc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000821661677 607223120 /nfs/dbraw/zinc/22/31/20/607223120.db2.gz UDKXDDUSAGRBBS-UHFFFAOYSA-N 0 1 377.390 0.049 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCOc1ncc(Cl)cc1Cl ZINC000823132063 607224533 /nfs/dbraw/zinc/22/45/33/607224533.db2.gz XQXMYWWKQYJIQO-UHFFFAOYSA-N 0 1 384.187 0.355 20 0 GCADMN NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822880225 607236791 /nfs/dbraw/zinc/23/67/91/607236791.db2.gz LIVWGAJYIRSGCG-UHFFFAOYSA-N 0 1 396.415 0.186 20 0 GCADMN CCc1nc(CCNCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)no1 ZINC000825745520 607815271 /nfs/dbraw/zinc/81/52/71/607815271.db2.gz NBPBULQRBSRSAG-UHFFFAOYSA-N 0 1 377.430 0.418 20 0 GCADMN Cn1cnnc1-c1cncc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826365425 607816519 /nfs/dbraw/zinc/81/65/19/607816519.db2.gz NXNVRWYFNGBNFJ-UHFFFAOYSA-N 0 1 383.397 0.858 20 0 GCADMN CCN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C[C@H]1C ZINC000825460484 607825893 /nfs/dbraw/zinc/82/58/93/607825893.db2.gz YRHLUVQOYTVQTM-GFCCVEGCSA-N 0 1 381.444 0.801 20 0 GCADMN O=S(=O)(CCN1CC[C@@H]([C@@H]2CCOC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484375 607830211 /nfs/dbraw/zinc/83/02/11/607830211.db2.gz ARQHQEMEUISJEQ-HUUCEWRRSA-N 0 1 377.470 0.999 20 0 GCADMN CC(=O)N1CC[C@@H](CN(C)[C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000823974815 607857853 /nfs/dbraw/zinc/85/78/53/607857853.db2.gz SNEUXLDTZXNDAJ-YOEHRIQHSA-N 0 1 383.456 0.772 20 0 GCADMN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C1 ZINC000826146560 607859117 /nfs/dbraw/zinc/85/91/17/607859117.db2.gz XRTONFMFFBYLFA-DDBAPUKQSA-N 0 1 389.456 0.875 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)CSCC[NH+](C)C)CC2)o1 ZINC000826323089 607932975 /nfs/dbraw/zinc/93/29/75/607932975.db2.gz PMRPUORQZLHADP-UHFFFAOYSA-N 0 1 380.478 0.107 20 0 GCADMN O=S(=O)(NC[C@]1(CCO)CCOC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490031 608000902 /nfs/dbraw/zinc/00/09/02/608000902.db2.gz IATGFJVXLGCYPH-AWEZNQCLSA-N 0 1 389.384 0.212 20 0 GCADMN O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000826485866 608002673 /nfs/dbraw/zinc/00/26/73/608002673.db2.gz GGJKXNPVMUNBRV-UONOGXRCSA-N 0 1 396.448 0.288 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cncn3)cc2)c1-c1nnn[n-]1 ZINC000826084086 608019224 /nfs/dbraw/zinc/01/92/24/608019224.db2.gz UZDKCWFTATZQSA-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cncn3)cc2)c1-c1nn[n-]n1 ZINC000826084086 608019225 /nfs/dbraw/zinc/01/92/25/608019225.db2.gz UZDKCWFTATZQSA-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(N)nc(Cl)c2)c1-c1nnn[n-]1 ZINC000826077563 608020505 /nfs/dbraw/zinc/02/05/05/608020505.db2.gz MMIWKPORMHORRY-UHFFFAOYSA-N 0 1 376.812 0.625 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(N)nc(Cl)c2)c1-c1nn[n-]n1 ZINC000826077563 608020506 /nfs/dbraw/zinc/02/05/06/608020506.db2.gz MMIWKPORMHORRY-UHFFFAOYSA-N 0 1 376.812 0.625 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2c(C)nn(C)c2C)c1-c1nnn[n-]1 ZINC000826077861 608020531 /nfs/dbraw/zinc/02/05/31/608020531.db2.gz XZJOHKRIUIFNCY-UHFFFAOYSA-N 0 1 388.436 0.110 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)COc2c(C)nn(C)c2C)c1-c1nn[n-]n1 ZINC000826077861 608020532 /nfs/dbraw/zinc/02/05/32/608020532.db2.gz XZJOHKRIUIFNCY-UHFFFAOYSA-N 0 1 388.436 0.110 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)C(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826077843 608020644 /nfs/dbraw/zinc/02/06/44/608020644.db2.gz XLEMJBKWAKMNHR-UHFFFAOYSA-N 0 1 393.452 0.547 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN(C)C(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826077843 608020645 /nfs/dbraw/zinc/02/06/45/608020645.db2.gz XLEMJBKWAKMNHR-UHFFFAOYSA-N 0 1 393.452 0.547 20 0 GCADMN CCC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)C1 ZINC000825035289 608020933 /nfs/dbraw/zinc/02/09/33/608020933.db2.gz ZQESIZQSSSIHLT-LLVKDONJSA-N 0 1 389.464 0.329 20 0 GCADMN CCC(=O)N1CCC[C@@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)C1 ZINC000825035289 608020934 /nfs/dbraw/zinc/02/09/34/608020934.db2.gz ZQESIZQSSSIHLT-LLVKDONJSA-N 0 1 389.464 0.329 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1-c1nnn[n-]1 ZINC000826077648 608021303 /nfs/dbraw/zinc/02/13/03/608021303.db2.gz PHILJNDVMGLOTL-LLVKDONJSA-N 0 1 389.464 0.185 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c1-c1nn[n-]n1 ZINC000826077648 608021304 /nfs/dbraw/zinc/02/13/04/608021304.db2.gz PHILJNDVMGLOTL-LLVKDONJSA-N 0 1 389.464 0.185 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCCC3)nc2)c1-c1nnn[n-]1 ZINC000826083540 608021557 /nfs/dbraw/zinc/02/15/57/608021557.db2.gz MHVBDLADXCGIOF-UHFFFAOYSA-N 0 1 396.459 0.989 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(N3CCCC3)nc2)c1-c1nn[n-]n1 ZINC000826083540 608021558 /nfs/dbraw/zinc/02/15/58/608021558.db2.gz MHVBDLADXCGIOF-UHFFFAOYSA-N 0 1 396.459 0.989 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3onc(C)c3c2)c1-c1nnn[n-]1 ZINC000826083768 608021632 /nfs/dbraw/zinc/02/16/32/608021632.db2.gz QAKWJLHJTTYTAT-UHFFFAOYSA-N 0 1 382.388 0.839 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3onc(C)c3c2)c1-c1nn[n-]n1 ZINC000826083768 608021633 /nfs/dbraw/zinc/02/16/33/608021633.db2.gz QAKWJLHJTTYTAT-UHFFFAOYSA-N 0 1 382.388 0.839 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](CC(C)C)NC(=O)OC)c1-c1nnn[n-]1 ZINC000826073531 608021783 /nfs/dbraw/zinc/02/17/83/608021783.db2.gz WHHWZYAFXVVFMV-NSHDSACASA-N 0 1 393.452 0.451 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](CC(C)C)NC(=O)OC)c1-c1nn[n-]n1 ZINC000826073531 608021784 /nfs/dbraw/zinc/02/17/84/608021784.db2.gz WHHWZYAFXVVFMV-NSHDSACASA-N 0 1 393.452 0.451 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826077585 608022208 /nfs/dbraw/zinc/02/22/08/608022208.db2.gz NJMOJGMLOYEJEJ-LLVKDONJSA-N 0 1 394.505 0.983 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826077585 608022209 /nfs/dbraw/zinc/02/22/09/608022209.db2.gz NJMOJGMLOYEJEJ-LLVKDONJSA-N 0 1 394.505 0.983 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826077370 608022211 /nfs/dbraw/zinc/02/22/11/608022211.db2.gz GAVXBDXISSBTCS-SNVBAGLBSA-N 0 1 389.464 0.327 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826077370 608022212 /nfs/dbraw/zinc/02/22/12/608022212.db2.gz GAVXBDXISSBTCS-SNVBAGLBSA-N 0 1 389.464 0.327 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2oc(=O)n3C)c1-c1nnn[n-]1 ZINC000826084401 608022388 /nfs/dbraw/zinc/02/23/88/608022388.db2.gz ZXIUYMUPCMZMMB-UHFFFAOYSA-N 0 1 397.399 0.439 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc3c2oc(=O)n3C)c1-c1nn[n-]n1 ZINC000826084401 608022389 /nfs/dbraw/zinc/02/23/89/608022389.db2.gz ZXIUYMUPCMZMMB-UHFFFAOYSA-N 0 1 397.399 0.439 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COCc1ccccc1 ZINC000825933882 608034932 /nfs/dbraw/zinc/03/49/32/608034932.db2.gz IGECYQJFPFOJJR-AWEZNQCLSA-N 0 1 386.460 0.614 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COCc1ccccc1 ZINC000825933882 608034933 /nfs/dbraw/zinc/03/49/33/608034933.db2.gz IGECYQJFPFOJJR-AWEZNQCLSA-N 0 1 386.460 0.614 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COCc1ccccc1 ZINC000825933882 608034934 /nfs/dbraw/zinc/03/49/34/608034934.db2.gz IGECYQJFPFOJJR-AWEZNQCLSA-N 0 1 386.460 0.614 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COCc1ccccc1 ZINC000825933882 608034935 /nfs/dbraw/zinc/03/49/35/608034935.db2.gz IGECYQJFPFOJJR-AWEZNQCLSA-N 0 1 386.460 0.614 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COc1ccccc1F ZINC000825935285 608035616 /nfs/dbraw/zinc/03/56/16/608035616.db2.gz YZDFQOHWURSGTL-LLVKDONJSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COc1ccccc1F ZINC000825935285 608035617 /nfs/dbraw/zinc/03/56/17/608035617.db2.gz YZDFQOHWURSGTL-LLVKDONJSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COc1ccccc1F ZINC000825935285 608035618 /nfs/dbraw/zinc/03/56/18/608035618.db2.gz YZDFQOHWURSGTL-LLVKDONJSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COc1ccccc1F ZINC000825935285 608035619 /nfs/dbraw/zinc/03/56/19/608035619.db2.gz YZDFQOHWURSGTL-LLVKDONJSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000825933932 608036793 /nfs/dbraw/zinc/03/67/93/608036793.db2.gz IWKCMWXAPNYUAU-SECBINFHSA-N 0 1 387.370 0.200 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000825933932 608036794 /nfs/dbraw/zinc/03/67/94/608036794.db2.gz IWKCMWXAPNYUAU-SECBINFHSA-N 0 1 387.370 0.200 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCc1nnnn1-c1ccccc1 ZINC000825933273 608037206 /nfs/dbraw/zinc/03/72/06/608037206.db2.gz AGFRREMDZGFHCX-UHFFFAOYSA-N 0 1 394.447 0.255 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCc1nnnn1-c1ccccc1 ZINC000825933273 608037207 /nfs/dbraw/zinc/03/72/07/608037207.db2.gz AGFRREMDZGFHCX-UHFFFAOYSA-N 0 1 394.447 0.255 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCc1nnnn1-c1ccccc1 ZINC000825933273 608037208 /nfs/dbraw/zinc/03/72/08/608037208.db2.gz AGFRREMDZGFHCX-UHFFFAOYSA-N 0 1 394.447 0.255 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCc1nnnn1-c1ccccc1 ZINC000825933273 608037209 /nfs/dbraw/zinc/03/72/09/608037209.db2.gz AGFRREMDZGFHCX-UHFFFAOYSA-N 0 1 394.447 0.255 20 0 GCADMN Cn1cc(CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)nn1 ZINC000826361488 608063051 /nfs/dbraw/zinc/06/30/51/608063051.db2.gz ZAVKNPTXAVGARN-UHFFFAOYSA-N 0 1 382.388 0.565 20 0 GCADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431707 608076728 /nfs/dbraw/zinc/07/67/28/608076728.db2.gz IOPWFWFPZGTVDM-DLBZAZTESA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431707 608076729 /nfs/dbraw/zinc/07/67/29/608076729.db2.gz IOPWFWFPZGTVDM-DLBZAZTESA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431707 608076730 /nfs/dbraw/zinc/07/67/30/608076730.db2.gz IOPWFWFPZGTVDM-DLBZAZTESA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431707 608076731 /nfs/dbraw/zinc/07/67/31/608076731.db2.gz IOPWFWFPZGTVDM-DLBZAZTESA-N 0 1 393.451 0.875 20 0 GCADMN CCOc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(CC)n1 ZINC000825621489 608107470 /nfs/dbraw/zinc/10/74/70/608107470.db2.gz UZTQJYYSKGINAV-VIFPVBQESA-N 0 1 399.415 0.762 20 0 GCADMN CC(C)c1nc([C@@H](C)NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824359684 608108921 /nfs/dbraw/zinc/10/89/21/608108921.db2.gz ZUSGFMUCVBQYPH-SNVBAGLBSA-N 0 1 383.416 0.715 20 0 GCADMN CN1CCN(c2ccccc2NC[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000826045429 608112424 /nfs/dbraw/zinc/11/24/24/608112424.db2.gz VYPUPVQQNPFMNO-AWEZNQCLSA-N 0 1 394.487 0.969 20 0 GCADMN C[C@H]1OCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825020483 608114472 /nfs/dbraw/zinc/11/44/72/608114472.db2.gz KDRWROQAUXISOO-ZYHUDNBSSA-N 0 1 388.432 0.741 20 0 GCADMN CN(CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)S(C)(=O)=O ZINC000825915003 608169099 /nfs/dbraw/zinc/16/90/99/608169099.db2.gz QYXLDRODXMUVCN-UHFFFAOYSA-N 0 1 380.474 0.950 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C4CC4)C3)CC2)o1 ZINC000826322802 608171569 /nfs/dbraw/zinc/17/15/69/608171569.db2.gz BYGOQVAXNHVOKO-AWEZNQCLSA-N 0 1 386.460 0.544 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C4CC4)C3)CC2)o1 ZINC000826322802 608171575 /nfs/dbraw/zinc/17/15/75/608171575.db2.gz BYGOQVAXNHVOKO-AWEZNQCLSA-N 0 1 386.460 0.544 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C4CC4)C3)CC2)o1 ZINC000826322802 608171577 /nfs/dbraw/zinc/17/15/77/608171577.db2.gz BYGOQVAXNHVOKO-AWEZNQCLSA-N 0 1 386.460 0.544 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000826425845 608180556 /nfs/dbraw/zinc/18/05/56/608180556.db2.gz WKXXDFHUMVQJNQ-VIFPVBQESA-N 0 1 391.798 0.646 20 0 GCADMN C[C@@H]1[C@@H](C)N(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CCN1C ZINC000824860812 608202862 /nfs/dbraw/zinc/20/28/62/608202862.db2.gz XXCCOFVWZLYIEL-VXGBXAGGSA-N 0 1 381.444 0.799 20 0 GCADMN CCNS(=O)(=O)[C@@H]1CCN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000825476387 608211908 /nfs/dbraw/zinc/21/19/08/608211908.db2.gz IKMBOAMKYDJPLH-GFCCVEGCSA-N 0 1 393.473 0.209 20 0 GCADMN CNC(=O)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826060745 608240178 /nfs/dbraw/zinc/24/01/78/608240178.db2.gz SCWXIOCEXTZRIW-KCJUWKMLSA-N 0 1 386.384 0.338 20 0 GCADMN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000826060279 608253640 /nfs/dbraw/zinc/25/36/40/608253640.db2.gz JRXQSCNAHNCMAZ-XCBNKYQSSA-N 0 1 377.430 0.334 20 0 GCADMN O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)N1CCC(c2nc[nH]n2)CC1 ZINC000826485164 608338787 /nfs/dbraw/zinc/33/87/87/608338787.db2.gz FLXVPCBINUFBKY-UHFFFAOYSA-N 0 1 392.420 0.833 20 0 GCADMN COC[C@@](C)(NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC ZINC000826148286 608338884 /nfs/dbraw/zinc/33/88/84/608338884.db2.gz DRUGEAYMJHJJCF-CQSZACIVSA-N 0 1 387.393 0.003 20 0 GCADMN C[NH+]1CCC(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000826021699 608353750 /nfs/dbraw/zinc/35/37/50/608353750.db2.gz DKKDDGZPERMMPG-UHFFFAOYSA-N 0 1 389.464 0.215 20 0 GCADMN C[NH+]1CCC(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000826021699 608353752 /nfs/dbraw/zinc/35/37/52/608353752.db2.gz DKKDDGZPERMMPG-UHFFFAOYSA-N 0 1 389.464 0.215 20 0 GCADMN C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825854344 608355401 /nfs/dbraw/zinc/35/54/01/608355401.db2.gz APNZQPRHAFLCSL-NSHDSACASA-N 0 1 389.464 0.309 20 0 GCADMN C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825854344 608355403 /nfs/dbraw/zinc/35/54/03/608355403.db2.gz APNZQPRHAFLCSL-NSHDSACASA-N 0 1 389.464 0.309 20 0 GCADMN C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825854335 608355413 /nfs/dbraw/zinc/35/54/13/608355413.db2.gz APNZQPRHAFLCSL-LLVKDONJSA-N 0 1 389.464 0.309 20 0 GCADMN C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825854335 608355415 /nfs/dbraw/zinc/35/54/15/608355415.db2.gz APNZQPRHAFLCSL-LLVKDONJSA-N 0 1 389.464 0.309 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](C)C3)CC2)o1 ZINC000826323155 608378137 /nfs/dbraw/zinc/37/81/37/608378137.db2.gz SKGAAZSGSKXMEM-CHWSQXEVSA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@H](C)C3)CC2)o1 ZINC000826323155 608378142 /nfs/dbraw/zinc/37/81/42/608378142.db2.gz SKGAAZSGSKXMEM-CHWSQXEVSA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](C)C3)CC2)o1 ZINC000826323155 608378145 /nfs/dbraw/zinc/37/81/45/608378145.db2.gz SKGAAZSGSKXMEM-CHWSQXEVSA-N 0 1 388.476 0.790 20 0 GCADMN CN1CCN(c2cccc(C(=O)NCc3cccc(-c4nn[nH]n4)c3)n2)CC1 ZINC000826044383 608387024 /nfs/dbraw/zinc/38/70/24/608387024.db2.gz FJVPJGGIQPVJLE-UHFFFAOYSA-N 0 1 378.440 0.944 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)C[C@H]1N(C)C ZINC000826226480 608443793 /nfs/dbraw/zinc/44/37/93/608443793.db2.gz AMHYIIWDLCISCG-VXGBXAGGSA-N 0 1 382.515 0.841 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN(C)Cc3cccnc3)CC2)o1 ZINC000826323317 608456376 /nfs/dbraw/zinc/45/63/76/608456376.db2.gz ZLFXBTHRBMXWCC-UHFFFAOYSA-N 0 1 397.443 0.339 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000825923510 608559194 /nfs/dbraw/zinc/55/91/94/608559194.db2.gz KVJOJXDDQDROOC-AWEZNQCLSA-N 0 1 387.492 0.970 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000825923510 608559196 /nfs/dbraw/zinc/55/91/96/608559196.db2.gz KVJOJXDDQDROOC-AWEZNQCLSA-N 0 1 387.492 0.970 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000825923510 608559198 /nfs/dbraw/zinc/55/91/98/608559198.db2.gz KVJOJXDDQDROOC-AWEZNQCLSA-N 0 1 387.492 0.970 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000825923510 608559200 /nfs/dbraw/zinc/55/92/00/608559200.db2.gz KVJOJXDDQDROOC-AWEZNQCLSA-N 0 1 387.492 0.970 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N(C)CCNC(=O)C(C)C)cc1-c1nn[nH]n1 ZINC000826229579 608562681 /nfs/dbraw/zinc/56/26/81/608562681.db2.gz JKSSFYKHWNBXJW-UHFFFAOYSA-N 0 1 379.446 0.533 20 0 GCADMN Cn1cnn(-c2ccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)cc2)c1=O ZINC000826365522 608894259 /nfs/dbraw/zinc/89/42/59/608894259.db2.gz RIHOOTRIQPUXCL-UHFFFAOYSA-N 0 1 398.408 0.552 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC(C)(C)CC(=O)OC)c1-c1nnn[n-]1 ZINC000826077464 609143228 /nfs/dbraw/zinc/14/32/28/609143228.db2.gz IYBPQLLAZOLZLP-UHFFFAOYSA-N 0 1 378.437 0.660 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CC(C)(C)CC(=O)OC)c1-c1nn[n-]n1 ZINC000826077464 609143229 /nfs/dbraw/zinc/14/32/29/609143229.db2.gz IYBPQLLAZOLZLP-UHFFFAOYSA-N 0 1 378.437 0.660 20 0 GCADMN CCN1CCN(c2ccc(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)cn2)CC1 ZINC000825464559 609196817 /nfs/dbraw/zinc/19/68/17/609196817.db2.gz DMYXRZLOFBWDNE-UHFFFAOYSA-N 0 1 381.444 0.662 20 0 GCADMN C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nnc[nH]1 ZINC000824499944 609205270 /nfs/dbraw/zinc/20/52/70/609205270.db2.gz SZTYAPGFCDSMKT-GWCFXTLKSA-N 0 1 396.415 0.541 20 0 GCADMN CN1CCN(C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c2ccccc2)CC1 ZINC000826038041 609208767 /nfs/dbraw/zinc/20/87/67/609208767.db2.gz HEYZVYVXNUDXJZ-KRWDZBQOSA-N 0 1 380.456 0.913 20 0 GCADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825870383 609233863 /nfs/dbraw/zinc/23/38/63/609233863.db2.gz KBZGPCZBIUYYEV-INIZCTEOSA-N 0 1 395.423 0.699 20 0 GCADMN CCCc1nc([C@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000825351342 609239347 /nfs/dbraw/zinc/23/93/47/609239347.db2.gz BVGVIOYQCKZJJL-HIFRSBDPSA-N 0 1 398.427 0.571 20 0 GCADMN CCCc1n[nH]c([C@H]2CN(C(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n1 ZINC000825351342 609239348 /nfs/dbraw/zinc/23/93/48/609239348.db2.gz BVGVIOYQCKZJJL-HIFRSBDPSA-N 0 1 398.427 0.571 20 0 GCADMN O=C(Nn1cnnc1)C1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826461222 609286318 /nfs/dbraw/zinc/28/63/18/609286318.db2.gz LSGBTRZJROGRRS-UHFFFAOYSA-N 0 1 396.371 0.693 20 0 GCADMN C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824414162 609298433 /nfs/dbraw/zinc/29/84/33/609298433.db2.gz VXSGMVZHPCOENI-GFCCVEGCSA-N 0 1 390.496 0.620 20 0 GCADMN C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824414162 609298435 /nfs/dbraw/zinc/29/84/35/609298435.db2.gz VXSGMVZHPCOENI-GFCCVEGCSA-N 0 1 390.496 0.620 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCCC[NH+]1CCCCC1 ZINC000825930770 609299211 /nfs/dbraw/zinc/29/92/11/609299211.db2.gz YQRLKHSJPMKUEJ-UHFFFAOYSA-N 0 1 390.496 0.622 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCCC[NH+]1CCCCC1 ZINC000825930770 609299212 /nfs/dbraw/zinc/29/92/12/609299212.db2.gz YQRLKHSJPMKUEJ-UHFFFAOYSA-N 0 1 390.496 0.622 20 0 GCADMN C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824419792 609300044 /nfs/dbraw/zinc/30/00/44/609300044.db2.gz BQAHZGOXSVBPFG-LBPRGKRZSA-N 0 1 390.496 0.620 20 0 GCADMN C[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824419792 609300046 /nfs/dbraw/zinc/30/00/46/609300046.db2.gz BQAHZGOXSVBPFG-LBPRGKRZSA-N 0 1 390.496 0.620 20 0 GCADMN CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824235357 609300181 /nfs/dbraw/zinc/30/01/81/609300181.db2.gz GJUJEECIEHAIMO-GFCCVEGCSA-N 0 1 392.512 0.722 20 0 GCADMN CC(C)C[C@H](C[NH+](C)C)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824235357 609300182 /nfs/dbraw/zinc/30/01/82/609300182.db2.gz GJUJEECIEHAIMO-GFCCVEGCSA-N 0 1 392.512 0.722 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC000826229619 609301340 /nfs/dbraw/zinc/30/13/40/609301340.db2.gz KYAHRSBWHPXOSU-XCBNKYQSSA-N 0 1 377.430 0.463 20 0 GCADMN CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825068071 609301955 /nfs/dbraw/zinc/30/19/55/609301955.db2.gz PAYNLXCFXONKES-LLVKDONJSA-N 0 1 378.485 0.476 20 0 GCADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825068071 609301957 /nfs/dbraw/zinc/30/19/57/609301957.db2.gz PAYNLXCFXONKES-LLVKDONJSA-N 0 1 378.485 0.476 20 0 GCADMN CC[C@@H](C)[N@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825068071 609301959 /nfs/dbraw/zinc/30/19/59/609301959.db2.gz PAYNLXCFXONKES-LLVKDONJSA-N 0 1 378.485 0.476 20 0 GCADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825068071 609301960 /nfs/dbraw/zinc/30/19/60/609301960.db2.gz PAYNLXCFXONKES-LLVKDONJSA-N 0 1 378.485 0.476 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000825930374 609304457 /nfs/dbraw/zinc/30/44/57/609304457.db2.gz VFUPVPOWJPPSES-NWDGAFQWSA-N 0 1 390.496 0.619 20 0 GCADMN 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CN(C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1)c1nccnc1-c1nn[n-]n1 ZINC001571265205 945504518 /nfs/dbraw/zinc/50/45/18/945504518.db2.gz CMUXJDFLRMLPEL-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571265245 945504852 /nfs/dbraw/zinc/50/48/52/945504852.db2.gz DQFKCBZUYBYWTQ-UKRRQHHQSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571265245 945504859 /nfs/dbraw/zinc/50/48/59/945504859.db2.gz DQFKCBZUYBYWTQ-UKRRQHHQSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265296 945507299 /nfs/dbraw/zinc/50/72/99/945507299.db2.gz GBDKRFNIIIXFPH-DZGCQCFKSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265296 945507305 /nfs/dbraw/zinc/50/73/05/945507305.db2.gz GBDKRFNIIIXFPH-DZGCQCFKSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265296 945507310 /nfs/dbraw/zinc/50/73/10/945507310.db2.gz GBDKRFNIIIXFPH-DZGCQCFKSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265296 945507314 /nfs/dbraw/zinc/50/73/14/945507314.db2.gz GBDKRFNIIIXFPH-DZGCQCFKSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1CN(C(=O)c2ccncc2Cl)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571265509 945510757 /nfs/dbraw/zinc/51/07/57/945510757.db2.gz LBYFAHDCPZWJKG-JOYOIKCWSA-N 0 1 385.819 0.700 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571265528 945513592 /nfs/dbraw/zinc/51/35/92/945513592.db2.gz HSSJIZFFRQLOCC-QWHCGFSZSA-N 0 1 385.476 0.574 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571265528 945513602 /nfs/dbraw/zinc/51/36/02/945513602.db2.gz HSSJIZFFRQLOCC-QWHCGFSZSA-N 0 1 385.476 0.574 20 0 GCADMN C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CCNc1ccc(-c2nn[n-]n2)nn1 ZINC001571265575 945514090 /nfs/dbraw/zinc/51/40/90/945514090.db2.gz LYDPVSDBUOMEMG-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[NH+]1CCC(CC(=O)N2CC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571265552 945514708 /nfs/dbraw/zinc/51/47/08/945514708.db2.gz ICUCUMXEZNAZEH-AWEZNQCLSA-N 0 1 385.476 0.649 20 0 GCADMN C[NH+]1CCC(CC(=O)N2CC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571265552 945514716 /nfs/dbraw/zinc/51/47/16/945514716.db2.gz ICUCUMXEZNAZEH-AWEZNQCLSA-N 0 1 385.476 0.649 20 0 GCADMN CN(C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571265785 945521289 /nfs/dbraw/zinc/52/12/89/945521289.db2.gz KFNBTRYKEAARSV-CYBMUJFWSA-N 0 1 385.476 0.568 20 0 GCADMN CN(C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571265785 945521293 /nfs/dbraw/zinc/52/12/93/945521293.db2.gz KFNBTRYKEAARSV-CYBMUJFWSA-N 0 1 385.476 0.568 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571265767 945521601 /nfs/dbraw/zinc/52/16/01/945521601.db2.gz JVYLWUOMOUHOKZ-MJBXVCDLSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571265767 945521607 /nfs/dbraw/zinc/52/16/07/945521607.db2.gz JVYLWUOMOUHOKZ-MJBXVCDLSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571265767 945521615 /nfs/dbraw/zinc/52/16/15/945521615.db2.gz JVYLWUOMOUHOKZ-MJBXVCDLSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571265767 945521623 /nfs/dbraw/zinc/52/16/23/945521623.db2.gz JVYLWUOMOUHOKZ-MJBXVCDLSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001571265879 945523597 /nfs/dbraw/zinc/52/35/97/945523597.db2.gz REKLLDDGDBYAKO-IHRRRGAJSA-N 0 1 385.476 0.424 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571265879 945523605 /nfs/dbraw/zinc/52/36/05/945523605.db2.gz REKLLDDGDBYAKO-IHRRRGAJSA-N 0 1 385.476 0.424 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571265879 945523610 /nfs/dbraw/zinc/52/36/10/945523610.db2.gz REKLLDDGDBYAKO-IHRRRGAJSA-N 0 1 385.476 0.424 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571265879 945523617 /nfs/dbraw/zinc/52/36/17/945523617.db2.gz REKLLDDGDBYAKO-IHRRRGAJSA-N 0 1 385.476 0.424 20 0 GCADMN C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571265883 945524106 /nfs/dbraw/zinc/52/41/06/945524106.db2.gz RJKYHVJBABVWJL-UMVBOHGHSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571265883 945524117 /nfs/dbraw/zinc/52/41/17/945524117.db2.gz RJKYHVJBABVWJL-UMVBOHGHSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265894 945524164 /nfs/dbraw/zinc/52/41/64/945524164.db2.gz SDTLILRCNNJPSA-IUODEOHRSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265894 945524169 /nfs/dbraw/zinc/52/41/69/945524169.db2.gz SDTLILRCNNJPSA-IUODEOHRSA-N 0 1 385.476 0.472 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265994 945526578 /nfs/dbraw/zinc/52/65/78/945526578.db2.gz SRWBDRDNNPBTFV-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265994 945526586 /nfs/dbraw/zinc/52/65/86/945526586.db2.gz SRWBDRDNNPBTFV-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265994 945526597 /nfs/dbraw/zinc/52/65/97/945526597.db2.gz SRWBDRDNNPBTFV-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571265998 945526804 /nfs/dbraw/zinc/52/68/04/945526804.db2.gz SWDYVGPQNXZDNO-BFHYXJOUSA-N 0 1 385.476 0.756 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001571265998 945526817 /nfs/dbraw/zinc/52/68/17/945526817.db2.gz SWDYVGPQNXZDNO-BFHYXJOUSA-N 0 1 385.476 0.756 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571265998 945526824 /nfs/dbraw/zinc/52/68/24/945526824.db2.gz SWDYVGPQNXZDNO-BFHYXJOUSA-N 0 1 385.476 0.756 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001571265998 945526830 /nfs/dbraw/zinc/52/68/30/945526830.db2.gz SWDYVGPQNXZDNO-BFHYXJOUSA-N 0 1 385.476 0.756 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@@H]2CCCC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001571265998 945526840 /nfs/dbraw/zinc/52/68/40/945526840.db2.gz SWDYVGPQNXZDNO-BFHYXJOUSA-N 0 1 385.476 0.756 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)C2CC(Nc3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571265972 945527444 /nfs/dbraw/zinc/52/74/44/945527444.db2.gz LYYVHOMKJMYTRP-UHFFFAOYSA-N 0 1 385.476 0.790 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC001571266071 945528874 /nfs/dbraw/zinc/52/88/74/945528874.db2.gz VMPXBPMGQPOKJA-OCCSQVGLSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001571266071 945528886 /nfs/dbraw/zinc/52/88/86/945528886.db2.gz VMPXBPMGQPOKJA-OCCSQVGLSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC001571266071 945528890 /nfs/dbraw/zinc/52/88/90/945528890.db2.gz VMPXBPMGQPOKJA-OCCSQVGLSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001571266071 945528899 /nfs/dbraw/zinc/52/88/99/945528899.db2.gz VMPXBPMGQPOKJA-OCCSQVGLSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC001571266070 945529023 /nfs/dbraw/zinc/52/90/23/945529023.db2.gz VMPXBPMGQPOKJA-JSGCOSHPSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001571266070 945529032 /nfs/dbraw/zinc/52/90/32/945529032.db2.gz VMPXBPMGQPOKJA-JSGCOSHPSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC001571266070 945529037 /nfs/dbraw/zinc/52/90/37/945529037.db2.gz VMPXBPMGQPOKJA-JSGCOSHPSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001571266070 945529042 /nfs/dbraw/zinc/52/90/42/945529042.db2.gz VMPXBPMGQPOKJA-JSGCOSHPSA-N 0 1 385.476 0.248 20 0 GCADMN C[N@H+](CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001571266157 945532030 /nfs/dbraw/zinc/53/20/30/945532030.db2.gz MZPVYJKKMULROT-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+](CC(=O)N1CCCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001571266157 945532036 /nfs/dbraw/zinc/53/20/36/945532036.db2.gz MZPVYJKKMULROT-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN Cc1cc(N[C@H]2C[C@@H](CNC(=O)C3CCC(O)CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266228 945533416 /nfs/dbraw/zinc/53/34/16/945533416.db2.gz NZCVGFCRCCHBGK-MWYNGPNVSA-N 0 1 385.472 0.850 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CC[N@@H+]1C ZINC001571266207 945534681 /nfs/dbraw/zinc/53/46/81/945534681.db2.gz XWRMKRHMGVEEPY-HZSPNIEDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001571266207 945534685 /nfs/dbraw/zinc/53/46/85/945534685.db2.gz XWRMKRHMGVEEPY-HZSPNIEDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001571266207 945534694 /nfs/dbraw/zinc/53/46/94/945534694.db2.gz XWRMKRHMGVEEPY-HZSPNIEDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001571266207 945534699 /nfs/dbraw/zinc/53/46/99/945534699.db2.gz XWRMKRHMGVEEPY-HZSPNIEDSA-N 0 1 385.476 0.790 20 0 GCADMN CC[C@@H](C(=O)N1CC[C@@]2(CCN(c3cnc(-c4nn[n-]n4)cn3)C2)C1)[NH+](C)C ZINC001571266278 945537543 /nfs/dbraw/zinc/53/75/43/945537543.db2.gz OSSXVICBLKABJG-KBXCAEBGSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571266370 945538432 /nfs/dbraw/zinc/53/84/32/945538432.db2.gz PIBNKNHTKDMTEY-UKRRQHHQSA-N 0 1 385.476 0.932 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571266370 945538438 /nfs/dbraw/zinc/53/84/38/945538438.db2.gz PIBNKNHTKDMTEY-UKRRQHHQSA-N 0 1 385.476 0.932 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266380 945539503 /nfs/dbraw/zinc/53/95/03/945539503.db2.gz PNHAIVGWSWPIRJ-PIMMBPRGSA-N 0 1 385.476 0.838 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)NC1CC(CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266380 945539509 /nfs/dbraw/zinc/53/95/09/945539509.db2.gz 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CC(=O)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573392656 947950939 /nfs/dbraw/zinc/95/09/39/947950939.db2.gz DDOCQDJKPIIIJG-UHFFFAOYSA-N 0 1 391.501 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573392656 947950942 /nfs/dbraw/zinc/95/09/42/947950942.db2.gz DDOCQDJKPIIIJG-UHFFFAOYSA-N 0 1 391.501 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC001573392655 947951095 /nfs/dbraw/zinc/95/10/95/947951095.db2.gz DDLGXNSKIKFPCW-SMDDNHRTSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC001573392655 947951099 /nfs/dbraw/zinc/95/10/99/947951099.db2.gz DDLGXNSKIKFPCW-SMDDNHRTSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573393446 947959513 /nfs/dbraw/zinc/95/95/13/947959513.db2.gz NBVLTXUGFVBSSI-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 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/nfs/dbraw/zinc/14/62/70/948146270.db2.gz QYASPRMYYHKQFF-JTQLQIEISA-N 0 1 375.408 0.078 20 0 GCADMN C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(F)(F)F ZINC001573678280 948147952 /nfs/dbraw/zinc/14/79/52/948147952.db2.gz CJROINOLFIVPFK-WCBMZHEXSA-N 0 1 390.341 0.771 20 0 GCADMN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001573679017 948159280 /nfs/dbraw/zinc/15/92/80/948159280.db2.gz HLOUEURRTUJHOO-GHMZBOCLSA-N 0 1 376.442 0.892 20 0 GCADMN CC(=O)N1CCC(C(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573428813 948167918 /nfs/dbraw/zinc/16/79/18/948167918.db2.gz CIZLLMKGGHPIFD-GFCCVEGCSA-N 0 1 386.460 0.249 20 0 GCADMN CC(C)[C@H](CNC(=O)[C@@H](C)c1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573679981 948169783 /nfs/dbraw/zinc/16/97/83/948169783.db2.gz KQAQWSGCUMUDQH-JSGCOSHPSA-N 0 1 381.444 0.830 20 0 GCADMN CC(=O)N1CCC(C(=O)NCCN(C)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573429703 948173374 /nfs/dbraw/zinc/17/33/74/948173374.db2.gz KWIDGQWVVMPVAU-UHFFFAOYSA-N 0 1 385.472 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C[C@@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)c1ccco1 ZINC001573681509 948206714 /nfs/dbraw/zinc/20/67/14/948206714.db2.gz VXWOCYMLRCBLHG-YPMHNXCESA-N 0 1 388.403 0.969 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573689936 948221216 /nfs/dbraw/zinc/22/12/16/948221216.db2.gz ASBMGBBSYYUHJZ-SFYZADRCSA-N 0 1 378.380 0.693 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573689936 948221226 /nfs/dbraw/zinc/22/12/26/948221226.db2.gz ASBMGBBSYYUHJZ-SFYZADRCSA-N 0 1 378.380 0.693 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)n1cccn1 ZINC001573690787 948230641 /nfs/dbraw/zinc/23/06/41/948230641.db2.gz BHTGDIOYAMVYGL-LBPRGKRZSA-N 0 1 382.432 0.377 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573435541 948232435 /nfs/dbraw/zinc/23/24/35/948232435.db2.gz YLPBXIRXMSFCGM-KZULUSFZSA-N 0 1 386.460 0.201 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccn1 ZINC001573691096 948235275 /nfs/dbraw/zinc/23/52/75/948235275.db2.gz HLZUCCJMFRANKK-SMDDNHRTSA-N 0 1 388.407 0.030 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NC[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573435729 948236118 /nfs/dbraw/zinc/23/61/18/948236118.db2.gz ZYCHFTBYBZURJJ-SGTLLEGYSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCC(=O)N1 ZINC001573691347 948237999 /nfs/dbraw/zinc/23/79/99/948237999.db2.gz FOVFRJCESYDXCS-ZYHUDNBSSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCC(=O)N1 ZINC001573691345 948238536 /nfs/dbraw/zinc/23/85/36/948238536.db2.gz FOVFRJCESYDXCS-JQWIXIFHSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@@H]1CCC(=O)N1 ZINC001573691346 948240040 /nfs/dbraw/zinc/24/00/40/948240040.db2.gz FOVFRJCESYDXCS-PWSUYJOCSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cccc(F)c1 ZINC001573691932 948249507 /nfs/dbraw/zinc/24/95/07/948249507.db2.gz LFRSOKRBYUPKCO-SMDDNHRTSA-N 0 1 385.403 0.515 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1cccc(F)c1 ZINC001573691929 948250509 /nfs/dbraw/zinc/25/05/09/948250509.db2.gz LFRSOKRBYUPKCO-BXUZGUMPSA-N 0 1 385.403 0.515 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)[C@H]1CCCO1 ZINC001573691881 948250550 /nfs/dbraw/zinc/25/05/50/948250550.db2.gz JNJGNVFJEHXEGX-QWHCGFSZSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)n1cccn1 ZINC001573692190 948258133 /nfs/dbraw/zinc/25/81/33/948258133.db2.gz MXHJPUGUYOWLGH-CYBMUJFWSA-N 0 1 381.444 0.982 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573441648 948271366 /nfs/dbraw/zinc/27/13/66/948271366.db2.gz LOGJRRCFLWTXNV-BLLLJJGKSA-N 0 1 386.460 0.262 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000826425127 948273550 /nfs/dbraw/zinc/27/35/50/948273550.db2.gz QPOCDWKFLTVIEA-UHFFFAOYSA-N 0 1 394.395 0.545 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000826425184 948275304 /nfs/dbraw/zinc/27/53/04/948275304.db2.gz SNLUPXJJPZFHBD-SNVBAGLBSA-N 0 1 382.306 0.327 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)n1cccc1 ZINC001573693301 948280093 /nfs/dbraw/zinc/28/00/93/948280093.db2.gz WFQRYWXBKZLHTO-CYBMUJFWSA-N 0 1 381.444 0.982 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573693405 948282425 /nfs/dbraw/zinc/28/24/25/948282425.db2.gz XMWJCYGUPNFETC-AAEUAGOBSA-N 0 1 384.444 0.049 20 0 GCADMN C[C@@H](C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCC1 ZINC001573694444 948293713 /nfs/dbraw/zinc/29/37/13/948293713.db2.gz VQBBXZOTSTWXOC-XIKOKIGWSA-N 0 1 386.460 0.804 20 0 GCADMN CC(=O)NCC[N@H+](CCCON1C(=O)c2ccccc2C1=O)[C@@H](C)C(=O)[O-] ZINC001602757167 971470243 /nfs/dbraw/zinc/47/02/43/971470243.db2.gz CXCUWEDUMBKXEN-LBPRGKRZSA-N 0 1 377.397 0.516 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccc1 ZINC001573696733 948332360 /nfs/dbraw/zinc/33/23/60/948332360.db2.gz WOWBBEUPAXKFGT-SYQHCUMBSA-N 0 1 379.428 0.518 20 0 GCADMN C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573696830 948334950 /nfs/dbraw/zinc/33/49/50/948334950.db2.gz XPWFGQAGXQCQGT-KZULUSFZSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573696831 948336292 /nfs/dbraw/zinc/33/62/92/948336292.db2.gz XPWFGQAGXQCQGT-SGTLLEGYSA-N 0 1 386.460 0.540 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573446686 948336394 /nfs/dbraw/zinc/33/63/94/948336394.db2.gz MOPYRCLLWANKLY-CQSZACIVSA-N 0 1 391.501 0.877 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573446686 948336409 /nfs/dbraw/zinc/33/64/09/948336409.db2.gz MOPYRCLLWANKLY-CQSZACIVSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573704968 948386961 /nfs/dbraw/zinc/38/69/61/948386961.db2.gz FMJYWLOFOKMPEY-JSGCOSHPSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573705022 948389579 /nfs/dbraw/zinc/38/95/79/948389579.db2.gz VEFFPATZVABKDY-OCCSQVGLSA-N 0 1 379.428 0.940 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573705097 948391920 /nfs/dbraw/zinc/39/19/20/948391920.db2.gz FSZLXZUGTQGNFN-RYUDHWBXSA-N 0 1 382.432 0.136 20 0 GCADMN C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)(F)F ZINC001573705544 948403665 /nfs/dbraw/zinc/40/36/65/948403665.db2.gz FZSGVMZRNSIKGL-BDAKNGLRSA-N 0 1 386.338 0.177 20 0 GCADMN C[C@H](C(=O)NCC[C@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[nH]n2)n1 ZINC001573706011 948411832 /nfs/dbraw/zinc/41/18/32/948411832.db2.gz HZEXFPRZCMCXIP-CHWSQXEVSA-N 0 1 390.448 0.501 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573706595 948420405 /nfs/dbraw/zinc/42/04/05/948420405.db2.gz JJMYPCQOYQXAEO-WBMJQRKESA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573706594 948421005 /nfs/dbraw/zinc/42/10/05/948421005.db2.gz JJMYPCQOYQXAEO-MLGOLLRUSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573706750 948424264 /nfs/dbraw/zinc/42/42/64/948424264.db2.gz LUNYSBRXTBOLDG-STQMWFEESA-N 0 1 379.428 0.798 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573706741 948425305 /nfs/dbraw/zinc/42/53/05/948425305.db2.gz LUNYSBRXTBOLDG-CHWSQXEVSA-N 0 1 379.428 0.798 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573708850 948459865 /nfs/dbraw/zinc/45/98/65/948459865.db2.gz XWCHRFYMTUDFKG-NWDGAFQWSA-N 0 1 384.400 0.375 20 0 GCADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573714512 948472380 /nfs/dbraw/zinc/47/23/80/948472380.db2.gz HKJTUEYBJNRYEY-STQMWFEESA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001573716559 948501212 /nfs/dbraw/zinc/50/12/12/948501212.db2.gz HUCQUBOZBNNWCX-VHSXEESVSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001573716559 948501223 /nfs/dbraw/zinc/50/12/23/948501223.db2.gz HUCQUBOZBNNWCX-VHSXEESVSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@H](C(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F)[C@@H]1CCC(=O)N1 ZINC001573718162 948515925 /nfs/dbraw/zinc/51/59/25/948515925.db2.gz ICWMKZCTVRWEIC-HZMBPMFUSA-N 0 1 375.408 0.126 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573726798 948552299 /nfs/dbraw/zinc/55/22/99/948552299.db2.gz KLBNBSHXPPXGJI-MELADBBJSA-N 0 1 381.444 0.838 20 0 GCADMN COc1cccc(C[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cn3)CCN2)c1 ZINC001557784620 948556895 /nfs/dbraw/zinc/55/68/95/948556895.db2.gz OWQJJWNIOZYUNV-HNNXBMFYSA-N 0 1 379.424 0.927 20 0 GCADMN C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573729543 948569841 /nfs/dbraw/zinc/56/98/41/948569841.db2.gz UPLFAYJCUPJKHE-SGMGOOAPSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573729935 948573981 /nfs/dbraw/zinc/57/39/81/948573981.db2.gz WVYCJJTWXPQMHZ-RWMBFGLXSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@@H](CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573732711 948608079 /nfs/dbraw/zinc/60/80/79/948608079.db2.gz VXAAKSUKDXHCHX-UWVGGRQHSA-N 0 1 384.437 0.033 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573732842 948609171 /nfs/dbraw/zinc/60/91/71/948609171.db2.gz ZILPTKOFPHDPQM-UWVGGRQHSA-N 0 1 384.437 0.033 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573736478 948615788 /nfs/dbraw/zinc/61/57/88/948615788.db2.gz XFBDETAVAWTYAE-JHJVBQTASA-N 0 1 382.432 0.376 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C(C)(F)F ZINC001573739833 948624293 /nfs/dbraw/zinc/62/42/93/948624293.db2.gz BSYXKUNFXBDDEN-LERXQTSPSA-N 0 1 380.399 0.819 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C(F)(F)F ZINC001573740872 948644856 /nfs/dbraw/zinc/64/48/56/948644856.db2.gz PSNGXACARIJPAJ-BIMULSAOSA-N 0 1 384.362 0.726 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1ccsc1 ZINC001573741165 948650867 /nfs/dbraw/zinc/65/08/67/948650867.db2.gz UNESSRVBPJZGKS-MVWJERBFSA-N 0 1 386.441 0.188 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1ccsc1 ZINC001573741166 948651591 /nfs/dbraw/zinc/65/15/91/948651591.db2.gz UNESSRVBPJZGKS-WCQGTBRESA-N 0 1 386.441 0.188 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001573741211 948652979 /nfs/dbraw/zinc/65/29/79/948652979.db2.gz ZILPTKOFPHDPQM-NXEZZACHSA-N 0 1 384.437 0.033 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC001573741595 948655641 /nfs/dbraw/zinc/65/56/41/948655641.db2.gz DLPYBQHGFIPKRL-NXEZZACHSA-N 0 1 386.382 0.483 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573746807 948685312 /nfs/dbraw/zinc/68/53/12/948685312.db2.gz LFAXXTRZJRBUFM-MEWQQHAOSA-N 0 1 389.485 0.580 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573746807 948685320 /nfs/dbraw/zinc/68/53/20/948685320.db2.gz LFAXXTRZJRBUFM-MEWQQHAOSA-N 0 1 389.485 0.580 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573751915 948707642 /nfs/dbraw/zinc/70/76/42/948707642.db2.gz HTPAYPKAZMGPPB-RNJOBUHISA-N 0 1 380.416 0.340 20 0 GCADMN C[C@H](C(=O)Nc1c[nH]nc1-c1nn[nH]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001573754023 948725537 /nfs/dbraw/zinc/72/55/37/948725537.db2.gz AWNKPTYIHGGGAV-VIFPVBQESA-N 0 1 390.429 0.582 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC1 ZINC001575223268 948761572 /nfs/dbraw/zinc/76/15/72/948761572.db2.gz MMJMXZPLHBKKEV-JTQLQIEISA-N 0 1 378.387 0.821 20 0 GCADMN C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001574679174 948769875 /nfs/dbraw/zinc/76/98/75/948769875.db2.gz POWZHQKCSWNGSD-VHSXEESVSA-N 0 1 383.420 0.202 20 0 GCADMN C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001574679175 948771443 /nfs/dbraw/zinc/77/14/43/948771443.db2.gz POWZHQKCSWNGSD-ZJUUUORDSA-N 0 1 383.420 0.202 20 0 GCADMN CC(F)(F)C1(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575224345 948785217 /nfs/dbraw/zinc/78/52/17/948785217.db2.gz UUARGDAKLPNOIW-SNVBAGLBSA-N 0 1 378.387 0.774 20 0 GCADMN CC(F)(F)C1(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)CC1 ZINC001575224773 948790940 /nfs/dbraw/zinc/79/09/40/948790940.db2.gz YRZIFVYWAXGJLR-KGLIPLIRSA-N 0 1 392.410 0.963 20 0 GCADMN CC(C)c1ccccc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574420218 948793064 /nfs/dbraw/zinc/79/30/64/948793064.db2.gz QTNNZJCRIIPNRI-LBPRGKRZSA-N 0 1 382.428 0.405 20 0 GCADMN C[C@H](CNC(=O)CCc1cn(C)nn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916833 948795849 /nfs/dbraw/zinc/79/58/49/948795849.db2.gz KTYRASTVPSPYGL-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](CNC(=O)CCc1cn(C)nn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916833 948795861 /nfs/dbraw/zinc/79/58/61/948795861.db2.gz KTYRASTVPSPYGL-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573761639 948844570 /nfs/dbraw/zinc/84/45/70/948844570.db2.gz KEWGZMAJHTYOIA-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CNC(=O)CCCn1cncn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918623 948855845 /nfs/dbraw/zinc/85/58/45/948855845.db2.gz OZPYLMFRHLPRPT-GFCCVEGCSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@H](CNC(=O)CCCn1cncn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918623 948855869 /nfs/dbraw/zinc/85/58/69/948855869.db2.gz OZPYLMFRHLPRPT-GFCCVEGCSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@@H](CNC(=O)CCCS(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918771 948859004 /nfs/dbraw/zinc/85/90/04/948859004.db2.gz QAOVARXQVRSIOY-JTQLQIEISA-N 0 1 386.503 0.347 20 0 GCADMN C[C@@H](CNC(=O)CCCS(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574918771 948859022 /nfs/dbraw/zinc/85/90/22/948859022.db2.gz QAOVARXQVRSIOY-JTQLQIEISA-N 0 1 386.503 0.347 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1COC(=O)N1 ZINC001574684399 948863292 /nfs/dbraw/zinc/86/32/92/948863292.db2.gz FRQJWYSNINQIIE-NTSWFWBYSA-N 0 1 386.825 0.392 20 0 GCADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccc(-c2nnn[n-]2)nn1 ZINC001574919194 948866940 /nfs/dbraw/zinc/86/69/40/948866940.db2.gz WFKOVRJIBNIIDU-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574919194 948866958 /nfs/dbraw/zinc/86/69/58/948866958.db2.gz WFKOVRJIBNIIDU-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCOCC1 ZINC001573763157 948869550 /nfs/dbraw/zinc/86/95/50/948869550.db2.gz CBYDTMWAXBFHHG-ZDUSSCGKSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574425335 948870533 /nfs/dbraw/zinc/87/05/33/948870533.db2.gz DHVACWPBROZUPY-GFCCVEGCSA-N 0 1 384.448 0.783 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1COCCO1 ZINC001574684652 948875892 /nfs/dbraw/zinc/87/58/92/948875892.db2.gz KCEQLGQVKCXNSQ-HTQZYQBOSA-N 0 1 387.853 0.699 20 0 GCADMN CC(F)(F)CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575232595 948878255 /nfs/dbraw/zinc/87/82/55/948878255.db2.gz FJKNVVUWKKDWHP-UHFFFAOYSA-N 0 1 382.375 0.201 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)CCCC(N)=O ZINC001574684669 948879642 /nfs/dbraw/zinc/87/96/42/948879642.db2.gz KLACOPQIVDATFJ-ZETCQYMHSA-N 0 1 386.869 0.939 20 0 GCADMN CC(C)c1nc(CN2CC([C@@H](C)NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574426465 948888406 /nfs/dbraw/zinc/88/84/06/948888406.db2.gz RSUNIFOAKAQBEY-SNVBAGLBSA-N 0 1 384.448 0.687 20 0 GCADMN CC(C)(C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1)[NH+]1CCCC1 ZINC001573764594 948890116 /nfs/dbraw/zinc/89/01/16/948890116.db2.gz OTYDAOUOIAMPKX-UHFFFAOYSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1)[NH+]1CCCC1 ZINC001573764594 948890136 /nfs/dbraw/zinc/89/01/36/948890136.db2.gz OTYDAOUOIAMPKX-UHFFFAOYSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H](C)CC(N)=O ZINC001574684868 948890892 /nfs/dbraw/zinc/89/08/92/948890892.db2.gz OBGJQOVTUAMCHB-BQBZGAKWSA-N 0 1 386.869 0.795 20 0 GCADMN CC(C)c1noc(CCC(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574920396 948900238 /nfs/dbraw/zinc/90/02/38/948900238.db2.gz KCCFUTWPZSNVHI-JTQLQIEISA-N 0 1 386.420 0.134 20 0 GCADMN C[C@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574923032 948930875 /nfs/dbraw/zinc/93/08/75/948930875.db2.gz BPVVLWMSESULSQ-SNVBAGLBSA-N 0 1 390.839 0.538 20 0 GCADMN CC(C)c1ncncc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574432572 948935648 /nfs/dbraw/zinc/93/56/48/948935648.db2.gz NHZDDZDOWWQIAM-UHFFFAOYSA-N 0 1 380.416 0.367 20 0 GCADMN C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccncc1-c1nn[nH]n1 ZINC001574923360 948946094 /nfs/dbraw/zinc/94/60/94/948946094.db2.gz KRFAQFODDZRVLD-NSHDSACASA-N 0 1 389.851 0.788 20 0 GCADMN C[C@H](CNC(=O)CCn1ccccc1=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574923377 948946443 /nfs/dbraw/zinc/94/64/43/948946443.db2.gz KZFCRCQNUCNTOG-CYBMUJFWSA-N 0 1 382.428 0.455 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574433109 948947057 /nfs/dbraw/zinc/94/70/57/948947057.db2.gz HHRHRUXWOYMNRD-UHFFFAOYSA-N 0 1 381.444 0.915 20 0 GCADMN CC(C)(C(=O)NC1CC(CNc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573772255 948956057 /nfs/dbraw/zinc/95/60/57/948956057.db2.gz RXRYQAZUUFHEOS-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC1CC(CNc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573772255 948956068 /nfs/dbraw/zinc/95/60/68/948956068.db2.gz RXRYQAZUUFHEOS-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCC1 ZINC001573772343 948958772 /nfs/dbraw/zinc/95/87/72/948958772.db2.gz AJJRPYDQEBUSSG-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573772343 948958782 /nfs/dbraw/zinc/95/87/82/948958782.db2.gz AJJRPYDQEBUSSG-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433593 948959781 /nfs/dbraw/zinc/95/97/81/948959781.db2.gz XVRIAUSGLRRJFS-MNOVXSKESA-N 0 1 382.432 0.611 20 0 GCADMN CC(C)(C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[NH+]1CCCC1 ZINC001573772430 948962138 /nfs/dbraw/zinc/96/21/38/948962138.db2.gz BTWAAYXTYDENBQ-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCC1 ZINC001573772430 948962148 /nfs/dbraw/zinc/96/21/48/948962148.db2.gz BTWAAYXTYDENBQ-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573772590 948965654 /nfs/dbraw/zinc/96/56/54/948965654.db2.gz VRIVCSSUIPQJGU-VIFPVBQESA-N 0 1 384.366 0.974 20 0 GCADMN C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574688871 948972314 /nfs/dbraw/zinc/97/23/14/948972314.db2.gz BCSDMBBDVHBVON-CYBMUJFWSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574688871 948972325 /nfs/dbraw/zinc/97/23/25/948972325.db2.gz BCSDMBBDVHBVON-CYBMUJFWSA-N 0 1 385.476 0.839 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001573773094 948973176 /nfs/dbraw/zinc/97/31/76/948973176.db2.gz GPOXRXSBMFROEJ-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](CNC(=O)CN1CCCC1=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574926084 948984697 /nfs/dbraw/zinc/98/46/97/948984697.db2.gz IAAKGRIEVIJMEZ-SSDOTTSWSA-N 0 1 384.853 0.516 20 0 GCADMN CC(C)c1nnnn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574435280 948991724 /nfs/dbraw/zinc/99/17/24/948991724.db2.gz RQDFIPFBSAWQBE-SNVBAGLBSA-N 0 1 390.477 0.333 20 0 GCADMN CC(C)c1nnnn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574435280 948991732 /nfs/dbraw/zinc/99/17/32/948991732.db2.gz RQDFIPFBSAWQBE-SNVBAGLBSA-N 0 1 390.477 0.333 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574926780 949021356 /nfs/dbraw/zinc/02/13/56/949021356.db2.gz XJGVTIFOWIKAHO-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574926780 949021375 /nfs/dbraw/zinc/02/13/75/949021375.db2.gz XJGVTIFOWIKAHO-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN CC(C)c1nnsc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574440842 949036732 /nfs/dbraw/zinc/03/67/32/949036732.db2.gz WJABPIIECFYJDN-UHFFFAOYSA-N 0 1 386.445 0.428 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575247006 949040915 /nfs/dbraw/zinc/04/09/15/949040915.db2.gz HRRYELSQWPRMCJ-WDEREUQCSA-N 0 1 389.464 0.148 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)[NH+]1CCCC1 ZINC001573775480 949043517 /nfs/dbraw/zinc/04/35/17/949043517.db2.gz XKNRKXQXFQHXTH-CYBMUJFWSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)[NH+]1CCCC1 ZINC001573775480 949043536 /nfs/dbraw/zinc/04/35/36/949043536.db2.gz XKNRKXQXFQHXTH-CYBMUJFWSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)[C@H]1CCCCO1 ZINC001573775665 949050371 /nfs/dbraw/zinc/05/03/71/949050371.db2.gz ZRZZCMKRGGHDEK-IUODEOHRSA-N 0 1 389.460 0.168 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)CC1CCCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574928297 949056314 /nfs/dbraw/zinc/05/63/14/949056314.db2.gz ONOGQUKUWHOONW-GFCCVEGCSA-N 0 1 386.460 0.297 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001574928263 949056418 /nfs/dbraw/zinc/05/64/18/949056418.db2.gz NXVPJVLXKXYECN-LBPRGKRZSA-N 0 1 388.476 0.400 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574928309 949058078 /nfs/dbraw/zinc/05/80/78/949058078.db2.gz OPNZFWHKTVBJPV-SNVBAGLBSA-N 0 1 379.490 0.685 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574928309 949058095 /nfs/dbraw/zinc/05/80/95/949058095.db2.gz OPNZFWHKTVBJPV-SNVBAGLBSA-N 0 1 379.490 0.685 20 0 GCADMN C[C@H](Oc1ccccn1)C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575504418 949066475 /nfs/dbraw/zinc/06/64/75/949066475.db2.gz TZNFYLATGLHSKG-AVGNSLFASA-N 0 1 380.412 0.605 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1c[nH]cn1 ZINC001573779899 949076261 /nfs/dbraw/zinc/07/62/61/949076261.db2.gz PFBOBAHPTITEPF-LLVKDONJSA-N 0 1 382.432 0.443 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574442461 949098404 /nfs/dbraw/zinc/09/84/04/949098404.db2.gz PQGQLULMOZKAKH-GFCCVEGCSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)[C@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001574094010 949126541 /nfs/dbraw/zinc/12/65/41/949126541.db2.gz UWJXEHGWXSIQGN-KGLIPLIRSA-N 0 1 385.472 0.741 20 0 GCADMN C[C@@H](CNC(=O)CO[C@@H]1CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574932175 949129000 /nfs/dbraw/zinc/12/90/00/949129000.db2.gz VMCLJCSEIYWAGA-JGVFFNPUSA-N 0 1 387.853 0.699 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573782928 949136931 /nfs/dbraw/zinc/13/69/31/949136931.db2.gz ZIGAOIVRJKSTAH-CYBMUJFWSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251406 949137264 /nfs/dbraw/zinc/13/72/64/949137264.db2.gz MVMJDYAOTDWKTQ-NWDGAFQWSA-N 0 1 381.444 0.757 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)c1cccnc1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575251408 949137600 /nfs/dbraw/zinc/13/76/00/949137600.db2.gz MVMJDYAOTDWKTQ-VXGBXAGGSA-N 0 1 381.444 0.757 20 0 GCADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1cccnc1 ZINC001573786782 949144960 /nfs/dbraw/zinc/14/49/60/949144960.db2.gz AWSKFKCEYLTPLC-NHAGDIPZSA-N 0 1 391.439 0.580 20 0 GCADMN C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575251975 949151655 /nfs/dbraw/zinc/15/16/55/949151655.db2.gz DCOYACQCOPQEHU-STQMWFEESA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575251975 949151665 /nfs/dbraw/zinc/15/16/65/949151665.db2.gz DCOYACQCOPQEHU-STQMWFEESA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)[C@@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCO1 ZINC001574095454 949153821 /nfs/dbraw/zinc/15/38/21/949153821.db2.gz YNNPZAFBJWMKMJ-XUXIUFHCSA-N 0 1 386.460 0.589 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575252118 949155386 /nfs/dbraw/zinc/15/53/86/949155386.db2.gz DWUUBOZYRSEFPN-QWHCGFSZSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252118 949155377 /nfs/dbraw/zinc/15/53/77/949155377.db2.gz DWUUBOZYRSEFPN-QWHCGFSZSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](CNC(=O)COCc1nccn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574934388 949159828 /nfs/dbraw/zinc/15/98/28/949159828.db2.gz GZPRHKUIPABASE-GFCCVEGCSA-N 0 1 385.432 0.153 20 0 GCADMN C[C@@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934495 949164507 /nfs/dbraw/zinc/16/45/07/949164507.db2.gz JMVMFLPMPALZFZ-NSHDSACASA-N 0 1 390.473 0.473 20 0 GCADMN C[C@@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574934495 949164521 /nfs/dbraw/zinc/16/45/21/949164521.db2.gz JMVMFLPMPALZFZ-NSHDSACASA-N 0 1 390.473 0.473 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](F)Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574697960 949168724 /nfs/dbraw/zinc/16/87/24/949168724.db2.gz DNKLDWNSCATNAM-TZMCWYRMSA-N 0 1 384.419 0.918 20 0 GCADMN C[C@@H](Oc1ccccc1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698189 949177483 /nfs/dbraw/zinc/17/74/83/949177483.db2.gz HBCNAJLPCTYSHZ-QWHCGFSZSA-N 0 1 382.428 0.805 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575253182 949183035 /nfs/dbraw/zinc/18/30/35/949183035.db2.gz SVLDOTBVZMNPAT-QWHCGFSZSA-N 0 1 387.492 0.648 20 0 GCADMN C[C@@H](CNC(=O)COc1ccc(F)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574934897 949183408 /nfs/dbraw/zinc/18/34/08/949183408.db2.gz ULHWODYPNMLUHQ-NSHDSACASA-N 0 1 386.391 0.816 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698326 949186486 /nfs/dbraw/zinc/18/64/86/949186486.db2.gz JBEHXCMEVSJHKK-ZJUUUORDSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698326 949186495 /nfs/dbraw/zinc/18/64/95/949186495.db2.gz JBEHXCMEVSJHKK-ZJUUUORDSA-N 0 1 386.503 0.298 20 0 GCADMN CC(C)c1oncc1C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574448831 949191238 /nfs/dbraw/zinc/19/12/38/949191238.db2.gz NAMADUBSZRHXQV-GFCCVEGCSA-N 0 1 383.416 0.811 20 0 GCADMN C[C@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccncc1-c1nn[nH]n1 ZINC001574936871 949222872 /nfs/dbraw/zinc/22/28/72/949222872.db2.gz LRWBKTMZLPCPGP-NSHDSACASA-N 0 1 382.428 0.956 20 0 GCADMN C[C@@H](c1cnccn1)N1C[C@@H]2[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001575517172 949225457 /nfs/dbraw/zinc/22/54/57/949225457.db2.gz UPIDFQWTGPEDHZ-DOERSZECSA-N 0 1 379.428 0.654 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@]2(C)CCCOC2)CC1 ZINC001575854411 949232005 /nfs/dbraw/zinc/23/20/05/949232005.db2.gz VQPUWKDYRDUATK-KRWDZBQOSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)CCO2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574940257 949256589 /nfs/dbraw/zinc/25/65/89/949256589.db2.gz CQXGWWUYGXGGLF-NSHDSACASA-N 0 1 380.412 0.173 20 0 GCADMN CC(C)n1cc(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)cn1 ZINC001574452824 949267194 /nfs/dbraw/zinc/26/71/94/949267194.db2.gz NLZLPLCIFBZUPC-ZDUSSCGKSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001574940700 949271778 /nfs/dbraw/zinc/27/17/78/949271778.db2.gz IHMFXVQYJVZVOW-NSHDSACASA-N 0 1 392.423 0.338 20 0 GCADMN CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)cn1 ZINC001574454938 949295033 /nfs/dbraw/zinc/29/50/33/949295033.db2.gz IIOOQFLWMHDACV-FOLVSLTJSA-N 0 1 379.428 0.904 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574941228 949297375 /nfs/dbraw/zinc/29/73/75/949297375.db2.gz POWQVNJVVIVSAJ-LBPRGKRZSA-N 0 1 378.440 0.727 20 0 GCADMN CC(C)(C)C(=O)C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001573793778 949306001 /nfs/dbraw/zinc/30/60/01/949306001.db2.gz ZHNDJEXCWHQKOX-RQJHMYQMSA-N 0 1 399.864 0.258 20 0 GCADMN CC(C)n1ccc(CC(=O)NC[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574941726 949318382 /nfs/dbraw/zinc/31/83/82/949318382.db2.gz GSBJVTKBWPHJRT-GFCCVEGCSA-N 0 1 384.448 0.263 20 0 GCADMN CC(C)(C)C(=O)N1CCN([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001573795428 949328772 /nfs/dbraw/zinc/32/87/72/949328772.db2.gz MXYFYSCWIJEAID-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574458206 949338161 /nfs/dbraw/zinc/33/81/61/949338161.db2.gz QPCXHAXDUQLHNR-KRWDZBQOSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574458211 949338759 /nfs/dbraw/zinc/33/87/59/949338759.db2.gz QPCXHAXDUQLHNR-QGZVFWFLSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260381 949352133 /nfs/dbraw/zinc/35/21/33/949352133.db2.gz VIYDSVMWSLRHTM-NEPJUHHUSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)n1ccc(CC(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)n1 ZINC001574459428 949354714 /nfs/dbraw/zinc/35/47/14/949354714.db2.gz FZFNDGAXZMWXLP-UHFFFAOYSA-N 0 1 381.444 0.764 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)NC(=O)C1CCCC1 ZINC001575260383 949355720 /nfs/dbraw/zinc/35/57/20/949355720.db2.gz VIYDSVMWSLRHTM-RYUDHWBXSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260798 949361900 /nfs/dbraw/zinc/36/19/00/949361900.db2.gz XQRPXMGORHOFHR-GXTWGEPZSA-N 0 1 384.444 0.725 20 0 GCADMN C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260736 949364994 /nfs/dbraw/zinc/36/49/94/949364994.db2.gz XIOQOPLBFSJCKQ-IUODEOHRSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H]1C(=O)Nc2ccccc2CN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001575864867 949366022 /nfs/dbraw/zinc/36/60/22/949366022.db2.gz IWJCATAMSRLJJD-JTQLQIEISA-N 0 1 382.388 0.011 20 0 GCADMN C[C@H](NC(=O)[C@H]1CCCCN1C)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575263108 949387618 /nfs/dbraw/zinc/38/76/18/949387618.db2.gz DQHGJQFLXJYSCA-XHDPSFHLSA-N 0 1 386.460 0.256 20 0 GCADMN C[C@H](CN(C)C(=O)C1(c2cccnc2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574704549 949394986 /nfs/dbraw/zinc/39/49/86/949394986.db2.gz OQKZZRHLPQEPBR-GFCCVEGCSA-N 0 1 379.428 0.464 20 0 GCADMN C[C@H](CNC(=O)Cc1cncn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574944583 949398206 /nfs/dbraw/zinc/39/82/06/949398206.db2.gz FSNWJQGFQVVXKW-SSDOTTSWSA-N 0 1 381.853 0.869 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574464344 949411998 /nfs/dbraw/zinc/41/19/98/949411998.db2.gz LPSWCEMSPVNPHY-LBPRGKRZSA-N 0 1 382.432 0.690 20 0 GCADMN C[C@H](CNC(=O)Cc1csc(C2CC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574946140 949429308 /nfs/dbraw/zinc/42/93/08/949429308.db2.gz RXEQCFCYHJEGHG-SECBINFHSA-N 0 1 385.457 0.572 20 0 GCADMN CC(C)n1cnc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574465096 949430976 /nfs/dbraw/zinc/43/09/76/949430976.db2.gz XGGIWKWQAVTAHK-GFCCVEGCSA-N 0 1 382.432 0.430 20 0 GCADMN C[C@H]1[C@H](CO)CCN1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC001575867395 949432236 /nfs/dbraw/zinc/43/22/36/949432236.db2.gz JMZWSMBETVTGDF-STQMWFEESA-N 0 1 382.428 0.694 20 0 GCADMN C[C@@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575264797 949433522 /nfs/dbraw/zinc/43/35/22/949433522.db2.gz QODRBXJDFNOUAC-OCCSQVGLSA-N 0 1 386.460 0.804 20 0 GCADMN CC(C)n1nccc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574467980 949454311 /nfs/dbraw/zinc/45/43/11/949454311.db2.gz BXBPKAFHCITJSG-LBPRGKRZSA-N 0 1 382.432 0.430 20 0 GCADMN C[C@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574706723 949459783 /nfs/dbraw/zinc/45/97/83/949459783.db2.gz MDVBEMLYMOPJQI-GFCCVEGCSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)n1nccc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574469315 949474988 /nfs/dbraw/zinc/47/49/88/949474988.db2.gz BCVMCGFGFSUZGZ-YABSGUDNSA-N 0 1 380.416 0.299 20 0 GCADMN C[C@@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574949102 949481959 /nfs/dbraw/zinc/48/19/59/949481959.db2.gz QSHHSGWELYYTMC-LLVKDONJSA-N 0 1 382.432 0.017 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574949103 949483092 /nfs/dbraw/zinc/48/30/92/949483092.db2.gz QSHHSGWELYYTMC-NSHDSACASA-N 0 1 382.432 0.017 20 0 GCADMN C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574949211 949486839 /nfs/dbraw/zinc/48/68/39/949486839.db2.gz RTZIWZKOTADIIZ-VIFPVBQESA-N 0 1 377.359 0.435 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(Cl)cn1)CNc1ccncc1-c1nn[nH]n1 ZINC001574949338 949490404 /nfs/dbraw/zinc/49/04/04/949490404.db2.gz UHVRQLQTKOCFCS-JTQLQIEISA-N 0 1 375.824 0.398 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574118993 949496728 /nfs/dbraw/zinc/49/67/28/949496728.db2.gz HHYIXIFKCLXODD-LBPRGKRZSA-N 0 1 389.464 0.150 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574470421 949497842 /nfs/dbraw/zinc/49/78/42/949497842.db2.gz PUOUKBSUEWRVQG-LBPRGKRZSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574708875 949499980 /nfs/dbraw/zinc/49/99/80/949499980.db2.gz XZFBBRDWLTUBJU-MNOVXSKESA-N 0 1 382.432 0.181 20 0 GCADMN C[C@]1(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CCC(=O)NC1 ZINC001575537751 949500241 /nfs/dbraw/zinc/50/02/41/949500241.db2.gz XFHXAXQMSOMNTG-SFHVURJKSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@@H]1CCCC[C@]1(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC(N)=O ZINC001576158994 949509749 /nfs/dbraw/zinc/50/97/49/949509749.db2.gz VORZZUSKCDMUME-PIGZYNQJSA-N 0 1 391.501 0.958 20 0 GCADMN C[C@@H]1CCCC[C@]1(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC(N)=O ZINC001576158994 949509764 /nfs/dbraw/zinc/50/97/64/949509764.db2.gz VORZZUSKCDMUME-PIGZYNQJSA-N 0 1 391.501 0.958 20 0 GCADMN C[C@]1(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CCOC1 ZINC001575538214 949519301 /nfs/dbraw/zinc/51/93/01/949519301.db2.gz FBSBWAZKDHNUED-ROUUACIJSA-N 0 1 384.444 0.512 20 0 GCADMN CC(C)n1nccc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574470906 949524302 /nfs/dbraw/zinc/52/43/02/949524302.db2.gz XWNHMNXDHRISQM-UHFFFAOYSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871968 949528366 /nfs/dbraw/zinc/52/83/66/949528366.db2.gz DFTZXEGANKSEIT-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871968 949528389 /nfs/dbraw/zinc/52/83/89/949528389.db2.gz DFTZXEGANKSEIT-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574471272 949533090 /nfs/dbraw/zinc/53/30/90/949533090.db2.gz LCYDJSWLYCNKRC-MNOVXSKESA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574471272 949533114 /nfs/dbraw/zinc/53/31/14/949533114.db2.gz LCYDJSWLYCNKRC-MNOVXSKESA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872050 949533590 /nfs/dbraw/zinc/53/35/90/949533590.db2.gz FPGZREHNXSKVRU-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872050 949533599 /nfs/dbraw/zinc/53/35/99/949533599.db2.gz FPGZREHNXSKVRU-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872064 949536084 /nfs/dbraw/zinc/53/60/84/949536084.db2.gz FQIJHHRDESKWHZ-OCCSQVGLSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872064 949536099 /nfs/dbraw/zinc/53/60/99/949536099.db2.gz FQIJHHRDESKWHZ-OCCSQVGLSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)(C)[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CN1CCCC1 ZINC001573809433 949543627 /nfs/dbraw/zinc/54/36/27/949543627.db2.gz PSJVQRMUCAALOR-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576163958 949546516 /nfs/dbraw/zinc/54/65/16/949546516.db2.gz DOWLXXOPPPKLBM-QWHCGFSZSA-N 0 1 386.460 0.735 20 0 GCADMN CC(C)(C)[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)CN1CCCC1 ZINC001573809522 949548861 /nfs/dbraw/zinc/54/88/61/949548861.db2.gz RHKRAGALTOASRU-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H](NC(=O)C[C@H]1COC(=O)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269473 949554111 /nfs/dbraw/zinc/55/41/11/949554111.db2.gz VEAURBXXDHIYBN-TZMCWYRMSA-N 0 1 384.440 0.756 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711807 949555168 /nfs/dbraw/zinc/55/51/68/949555168.db2.gz MLRKFUNAZIXWNH-NEPJUHHUSA-N 0 1 381.444 0.471 20 0 GCADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574951421 949558154 /nfs/dbraw/zinc/55/81/54/949558154.db2.gz ZZBICFAIYZAMQL-WFASDCNBSA-N 0 1 386.460 0.602 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574123422 949559139 /nfs/dbraw/zinc/55/91/39/949559139.db2.gz YFFIPLAUEONORI-JOCQHMNTSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872781 949559411 /nfs/dbraw/zinc/55/94/11/949559411.db2.gz LPDHSPRWCMPKOG-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN CC(C)n1ncnc1CNC1CC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574473093 949564684 /nfs/dbraw/zinc/56/46/84/949564684.db2.gz XZTIHRVINZIHJD-UHFFFAOYSA-N 0 1 384.448 0.760 20 0 GCADMN C[C@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576165362 949568897 /nfs/dbraw/zinc/56/88/97/949568897.db2.gz JXEROZMTZKCQOT-IGQOVBAYSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873306 949575457 /nfs/dbraw/zinc/57/54/57/949575457.db2.gz BFJLXGJUOXJHAK-GXTWGEPZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873306 949575474 /nfs/dbraw/zinc/57/54/74/949575474.db2.gz BFJLXGJUOXJHAK-GXTWGEPZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H](NC(=O)CCCC1CCOCC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270179 949578499 /nfs/dbraw/zinc/57/84/99/949578499.db2.gz BQCWABSGRIVGOZ-QWHCGFSZSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574712403 949580040 /nfs/dbraw/zinc/58/00/40/949580040.db2.gz SAYGYMZUSABXIE-SMDDNHRTSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)n1cccc1 ZINC001574476415 949599406 /nfs/dbraw/zinc/59/94/06/949599406.db2.gz HBNAFLIOWBBHCL-UONOGXRCSA-N 0 1 384.444 0.368 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957457 949612870 /nfs/dbraw/zinc/61/28/70/949612870.db2.gz YJNBPAZKCGISHJ-JQWIXIFHSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574957457 949612882 /nfs/dbraw/zinc/61/28/82/949612882.db2.gz YJNBPAZKCGISHJ-JQWIXIFHSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCNC1=O ZINC001575546832 949613046 /nfs/dbraw/zinc/61/30/46/949613046.db2.gz SALQLWPLBQTXPF-DIFFPNOSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCNC1=O ZINC001575546832 949613061 /nfs/dbraw/zinc/61/30/61/949613061.db2.gz SALQLWPLBQTXPF-DIFFPNOSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCNC1=O ZINC001575546837 949613516 /nfs/dbraw/zinc/61/35/16/949613516.db2.gz SALQLWPLBQTXPF-PIGZYNQJSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCNC1=O ZINC001575546837 949613523 /nfs/dbraw/zinc/61/35/23/949613523.db2.gz SALQLWPLBQTXPF-PIGZYNQJSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001575546627 949613898 /nfs/dbraw/zinc/61/38/98/949613898.db2.gz RKGLGGLCKPUXEG-KZULUSFZSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001575874766 949619650 /nfs/dbraw/zinc/61/96/50/949619650.db2.gz GQEGFJQUEPNNHE-WCQYABFASA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001574476770 949619818 /nfs/dbraw/zinc/61/98/18/949619818.db2.gz JTTIRICGPTYKNE-OLZOCXBDSA-N 0 1 385.428 0.702 20 0 GCADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1nc[nH]n1 ZINC001573812873 949626130 /nfs/dbraw/zinc/62/61/30/949626130.db2.gz VQSZPOVUXFDXSY-LBPRGKRZSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575875206 949628576 /nfs/dbraw/zinc/62/85/76/949628576.db2.gz VLHZKOYHOBTJDW-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574714564 949632778 /nfs/dbraw/zinc/63/27/78/949632778.db2.gz FKYAMGDKNVEOGE-VXGBXAGGSA-N 0 1 384.448 0.265 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC1CCOCC1 ZINC001573814271 949637791 /nfs/dbraw/zinc/63/77/91/949637791.db2.gz COZBGLAFLPUFEC-CYBMUJFWSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575547696 949637941 /nfs/dbraw/zinc/63/79/41/949637941.db2.gz DBJNQDBWHDDUIM-DIFFPNOSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC(=O)C1 ZINC001575547696 949637955 /nfs/dbraw/zinc/63/79/55/949637955.db2.gz DBJNQDBWHDDUIM-DIFFPNOSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CCOCC1)CNc1ccncc1-c1nn[nH]n1 ZINC001574957851 949639280 /nfs/dbraw/zinc/63/92/80/949639280.db2.gz AXMADMCCRCUCRG-AEGPPILISA-N 0 1 385.472 0.911 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001573814760 949646565 /nfs/dbraw/zinc/64/65/65/949646565.db2.gz FNKJHLKXIGDPDQ-CHWSQXEVSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575272421 949648091 /nfs/dbraw/zinc/64/80/91/949648091.db2.gz QOOZLOLEQROXHX-ZIAGYGMSSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575272421 949648098 /nfs/dbraw/zinc/64/80/98/949648098.db2.gz QOOZLOLEQROXHX-ZIAGYGMSSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](CC(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574477231 949649341 /nfs/dbraw/zinc/64/93/41/949649341.db2.gz PELJAAHZJFQGOA-NSHDSACASA-N 0 1 387.448 0.136 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575876820 949652294 /nfs/dbraw/zinc/65/22/94/949652294.db2.gz YPFSIJZSHFHBCW-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575876820 949652306 /nfs/dbraw/zinc/65/23/06/949652306.db2.gz YPFSIJZSHFHBCW-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575876799 949653548 /nfs/dbraw/zinc/65/35/48/949653548.db2.gz KMIXNNNLTSXVIA-MFKMUULPSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715609 949654775 /nfs/dbraw/zinc/65/47/75/949654775.db2.gz JKERSAIRZWCHJY-STQMWFEESA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@H](NC(=O)CCCc1ccccn1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575272984 949655756 /nfs/dbraw/zinc/65/57/56/949655756.db2.gz UFJSVDNWULEPNH-QWHCGFSZSA-N 0 1 381.444 0.802 20 0 GCADMN C[C@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574958159 949657961 /nfs/dbraw/zinc/65/79/61/949657961.db2.gz MSAKFLPICNUFAO-HXFLIBJXSA-N 0 1 383.865 0.810 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2nc[nH]n2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575877104 949658431 /nfs/dbraw/zinc/65/84/31/949658431.db2.gz KURXSTVEQKDEIU-DGCLKSJQSA-N 0 1 382.432 0.486 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001573815602 949658524 /nfs/dbraw/zinc/65/85/24/949658524.db2.gz JCTYZQCLMZPWDQ-CHWSQXEVSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168972 949658836 /nfs/dbraw/zinc/65/88/36/949658836.db2.gz DEXHZYSONBGNAC-OCCSQVGLSA-N 0 1 381.444 0.688 20 0 GCADMN C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169108 949661542 /nfs/dbraw/zinc/66/15/42/949661542.db2.gz FEOLPZSGDBBEDT-KBPBESRZSA-N 0 1 385.476 0.213 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001573815968 949665034 /nfs/dbraw/zinc/66/50/34/949665034.db2.gz MZEBGYCAACQGSA-QFYYESIMSA-N 0 1 378.412 0.150 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(F)CCOCC1 ZINC001573816009 949670118 /nfs/dbraw/zinc/67/01/18/949670118.db2.gz OHCXKQJUZLYFEX-NSHDSACASA-N 0 1 392.439 0.540 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCCCC(N)=O ZINC001573816007 949671970 /nfs/dbraw/zinc/67/19/70/949671970.db2.gz OETPGRVSGOPIDN-NSHDSACASA-N 0 1 389.464 0.067 20 0 GCADMN C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169236 949672922 /nfs/dbraw/zinc/67/29/22/949672922.db2.gz FVEPUAGNPQCDAC-UKRRQHHQSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCCN1c1ncc(-c2nn[nH]n2)cc1F ZINC001575878261 949674424 /nfs/dbraw/zinc/67/44/24/949674424.db2.gz OEXGJPYXKIZPCU-IUODEOHRSA-N 0 1 388.451 0.970 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCn1cccn1 ZINC001573816201 949675193 /nfs/dbraw/zinc/67/51/93/949675193.db2.gz PVIXGRVHGYTGPE-LBPRGKRZSA-N 0 1 384.448 0.308 20 0 GCADMN C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169362 949676504 /nfs/dbraw/zinc/67/65/04/949676504.db2.gz HBGUUTUEMSZUOY-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575878210 949676707 /nfs/dbraw/zinc/67/67/07/949676707.db2.gz NWPOSHLGHXFHHA-SMDDNHRTSA-N 0 1 382.432 0.486 20 0 GCADMN CC1(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)CC(F)(F)C1 ZINC001575552831 949683972 /nfs/dbraw/zinc/68/39/72/949683972.db2.gz JNCLGWLBMULTJT-UWVGGRQHSA-N 0 1 376.371 0.882 20 0 GCADMN C[C@@H](CC(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(N)=O ZINC001574477883 949685877 /nfs/dbraw/zinc/68/58/77/949685877.db2.gz VWDLRVMNLJTURC-NSHDSACASA-N 0 1 392.439 0.343 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)COC1CCCC1 ZINC001573816671 949686121 /nfs/dbraw/zinc/68/61/21/949686121.db2.gz UKNLMKNWBMMFKJ-ZDUSSCGKSA-N 0 1 388.476 0.981 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573816724 949686305 /nfs/dbraw/zinc/68/63/05/949686305.db2.gz UYFMFEQZKQBLQU-KPZWWZAWSA-N 0 1 388.476 0.573 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC1OCCCO1 ZINC001573816921 949689926 /nfs/dbraw/zinc/68/99/26/949689926.db2.gz VNUNPMAWLIPEBL-LLVKDONJSA-N 0 1 390.448 0.175 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1nc[nH]n1 ZINC001573817222 949698274 /nfs/dbraw/zinc/69/82/74/949698274.db2.gz YVCIQVLSRQJZDU-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575881273 949712824 /nfs/dbraw/zinc/71/28/24/949712824.db2.gz XAMBGHSCNXUBMM-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881273 949712843 /nfs/dbraw/zinc/71/28/43/949712843.db2.gz XAMBGHSCNXUBMM-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881273 949712850 /nfs/dbraw/zinc/71/28/50/949712850.db2.gz XAMBGHSCNXUBMM-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574959850 949718177 /nfs/dbraw/zinc/71/81/77/949718177.db2.gz VIBVTFJCANKUST-KWCYVHTRSA-N 0 1 379.428 0.796 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn[nH]c(=O)c1 ZINC001573818210 949721521 /nfs/dbraw/zinc/72/15/21/949721521.db2.gz IHJDRXHPSZWDHA-ZDUSSCGKSA-N 0 1 383.416 0.436 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001574479353 949732107 /nfs/dbraw/zinc/73/21/07/949732107.db2.gz DVCIEUXNGDEHGE-OCCSQVGLSA-N 0 1 381.444 0.624 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717684 949736788 /nfs/dbraw/zinc/73/67/88/949736788.db2.gz WJHYIVJUQAWBSZ-STQMWFEESA-N 0 1 383.460 0.870 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCN1CCCC1=O ZINC001575881893 949739077 /nfs/dbraw/zinc/73/90/77/949739077.db2.gz CWRYXZPSUXCCOE-JSGCOSHPSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCOC1 ZINC001575558703 949740848 /nfs/dbraw/zinc/74/08/48/949740848.db2.gz QTTSJKMZMXTMPF-VBHSOAQHSA-N 0 1 384.444 0.368 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C(=O)NCC1CC1 ZINC001573819007 949745045 /nfs/dbraw/zinc/74/50/45/949745045.db2.gz QQXSFFONSPKAHL-AWEZNQCLSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574480443 949749252 /nfs/dbraw/zinc/74/92/52/949749252.db2.gz ILYRGNXNANQZRU-GXTWGEPZSA-N 0 1 379.428 0.680 20 0 GCADMN C[C@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717873 949751664 /nfs/dbraw/zinc/75/16/64/949751664.db2.gz RAPXVSQAMADUIU-KZULUSFZSA-N 0 1 386.460 0.391 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574480500 949752577 /nfs/dbraw/zinc/75/25/77/949752577.db2.gz JHUQCJFFITWHRV-UWVGGRQHSA-N 0 1 384.366 0.928 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)Cc2cscn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882298 949769181 /nfs/dbraw/zinc/76/91/81/949769181.db2.gz ILMQHANWZOLQCO-PWSUYJOCSA-N 0 1 385.457 0.829 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CO[C@@H]1CCOC1 ZINC001573820694 949769435 /nfs/dbraw/zinc/76/94/35/949769435.db2.gz YXNWWYMYRDDVJL-DOMZBBRYSA-N 0 1 389.460 0.432 20 0 GCADMN CC(C)(C)[C@@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)Cc1nnc[nH]1 ZINC001573821367 949773971 /nfs/dbraw/zinc/77/39/71/949773971.db2.gz AVSRKXLFEDOSDB-LLVKDONJSA-N 0 1 388.411 0.704 20 0 GCADMN C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171829 949780208 /nfs/dbraw/zinc/78/02/08/949780208.db2.gz SZKKXQYKACNNEH-STQMWFEESA-N 0 1 382.432 0.014 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574964969 949790173 /nfs/dbraw/zinc/79/01/73/949790173.db2.gz CLUUPOIGNBEGPY-UANNBLPKSA-N 0 1 384.853 0.562 20 0 GCADMN C[C@@H](CNC(=O)c1[nH]ncc1Br)Nc1ccncc1-c1nn[nH]n1 ZINC001574965303 949797357 /nfs/dbraw/zinc/79/73/57/949797357.db2.gz FRNQGFVROAPSGT-ZETCQYMHSA-N 0 1 392.221 0.400 20 0 GCADMN C[C@@H](CN(C)C(=O)CCOc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720631 949798384 /nfs/dbraw/zinc/79/83/84/949798384.db2.gz DYKOWHMZIUGDEL-ZDUSSCGKSA-N 0 1 382.428 0.807 20 0 GCADMN C[C@@H](CN(C)C(=O)CCc1c[nH]nn1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574721200 949817901 /nfs/dbraw/zinc/81/79/01/949817901.db2.gz KQMDQEJETQUDPB-VIFPVBQESA-N 0 1 390.839 0.925 20 0 GCADMN C[C@@H](CN(C)C(=O)CCc1cnn[nH]1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574721200 949817912 /nfs/dbraw/zinc/81/79/12/949817912.db2.gz KQMDQEJETQUDPB-VIFPVBQESA-N 0 1 390.839 0.925 20 0 GCADMN C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001574482074 949819351 /nfs/dbraw/zinc/81/93/51/949819351.db2.gz ZZKOQUMUYMVMGE-GFCCVEGCSA-N 0 1 382.432 0.329 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574965845 949820658 /nfs/dbraw/zinc/82/06/58/949820658.db2.gz NJFVDQRLOLCKKD-QGHHPUGFSA-N 0 1 375.408 0.269 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)NC(N)=O ZINC001574482023 949821080 /nfs/dbraw/zinc/82/10/80/949821080.db2.gz YVCFINHYHNKAOG-ZWNOBZJWSA-N 0 1 390.423 0.143 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575883585 949821844 /nfs/dbraw/zinc/82/18/44/949821844.db2.gz RQKOIYYSZOFGGA-GWCFXTLKSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172921 949826397 /nfs/dbraw/zinc/82/63/97/949826397.db2.gz ZMXWYBZMXGIXGB-ZFWWWQNUSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CN(C)C(=O)CCNC(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574722543 949840315 /nfs/dbraw/zinc/84/03/15/949840315.db2.gz UQOGEJQDASGARV-JTQLQIEISA-N 0 1 378.412 0.001 20 0 GCADMN C[C@@H](CN(C)C(=O)CCNC(=O)C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574722690 949840852 /nfs/dbraw/zinc/84/08/52/949840852.db2.gz VMVUXNPTEXDRGW-LBPRGKRZSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001575282985 949850411 /nfs/dbraw/zinc/85/04/11/949850411.db2.gz DOARXABDJUUDKX-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001575282985 949850429 /nfs/dbraw/zinc/85/04/29/949850429.db2.gz DOARXABDJUUDKX-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001575282985 949850448 /nfs/dbraw/zinc/85/04/48/949850448.db2.gz DOARXABDJUUDKX-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001575282985 949850465 /nfs/dbraw/zinc/85/04/65/949850465.db2.gz DOARXABDJUUDKX-NEPJUHHUSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)CN1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)C1CC1 ZINC001575282970 949851013 /nfs/dbraw/zinc/85/10/13/949851013.db2.gz CZBGECIWTNRPBX-NWDGAFQWSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575283153 949858604 /nfs/dbraw/zinc/85/86/04/949858604.db2.gz NYYNCDKLMMIDKU-JSGCOSHPSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575283284 949859855 /nfs/dbraw/zinc/85/98/55/949859855.db2.gz FALOEEKMOHLCCG-NWDGAFQWSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574484125 949861765 /nfs/dbraw/zinc/86/17/65/949861765.db2.gz VYWPZUSQYQTWNB-AAEUAGOBSA-N 0 1 382.432 0.019 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177885 949867676 /nfs/dbraw/zinc/86/76/76/949867676.db2.gz CWWJTCLAPMCUFA-MWLCHTKSSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178107 949873843 /nfs/dbraw/zinc/87/38/43/949873843.db2.gz AUAGEKPCOKQORD-XHDPSFHLSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178461 949885508 /nfs/dbraw/zinc/88/55/08/949885508.db2.gz BPPBJNHIRXNYOO-AAEUAGOBSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574484591 949886443 /nfs/dbraw/zinc/88/64/43/949886443.db2.gz KLNDBESGJDRIDD-KBPBESRZSA-N 0 1 386.460 0.901 20 0 GCADMN C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574968043 949889369 /nfs/dbraw/zinc/88/93/69/949889369.db2.gz LKUIJRRQCMQBJV-LLVKDONJSA-N 0 1 381.444 0.739 20 0 GCADMN C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001574484593 949889661 /nfs/dbraw/zinc/88/96/61/949889661.db2.gz KLNDBESGJDRIDD-UONOGXRCSA-N 0 1 386.460 0.901 20 0 GCADMN C[C@@H](NC(=O)COc1ccccc1F)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575284003 949892359 /nfs/dbraw/zinc/89/23/59/949892359.db2.gz SLFDSXTUWDIGPO-GHMZBOCLSA-N 0 1 386.391 0.602 20 0 GCADMN C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725328 949897823 /nfs/dbraw/zinc/89/78/23/949897823.db2.gz RVIPDHMNYAOPLB-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](CN(C)C(=O)CCc1cnn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725328 949897845 /nfs/dbraw/zinc/89/78/45/949897845.db2.gz RVIPDHMNYAOPLB-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@H+](CC(=O)[O-])C(C)C)c(=O)[nH]c1=O ZINC001589667098 949898776 /nfs/dbraw/zinc/89/87/76/949898776.db2.gz HHLYMKNTOXSFIE-UHFFFAOYSA-N 0 1 383.449 0.479 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](CC(=O)[O-])C(C)C)c(=O)[nH]c1=O ZINC001589667098 949898794 /nfs/dbraw/zinc/89/87/94/949898794.db2.gz HHLYMKNTOXSFIE-UHFFFAOYSA-N 0 1 383.449 0.479 20 0 GCADMN C[C@]1(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCNC(=O)C1 ZINC001575569310 949913098 /nfs/dbraw/zinc/91/30/98/949913098.db2.gz IHNADNGKHMDQRE-SFHVURJKSA-N 0 1 384.444 0.263 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574484960 949914510 /nfs/dbraw/zinc/91/45/10/949914510.db2.gz SJOHPFQOJNTLQV-MNOVXSKESA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574484960 949914531 /nfs/dbraw/zinc/91/45/31/949914531.db2.gz SJOHPFQOJNTLQV-MNOVXSKESA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574484934 949915688 /nfs/dbraw/zinc/91/56/88/949915688.db2.gz RYPHMJOYNBYOMT-ZIAGYGMSSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@H](CC(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574485747 949931001 /nfs/dbraw/zinc/93/10/01/949931001.db2.gz ZXCAIYPWMVHCOE-CYBMUJFWSA-N 0 1 386.460 0.348 20 0 GCADMN C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285066 949933030 /nfs/dbraw/zinc/93/30/30/949933030.db2.gz XVELUKWQWBESPV-VHSXEESVSA-N 0 1 383.416 0.492 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001574488094 949944077 /nfs/dbraw/zinc/94/40/77/949944077.db2.gz DIXNLJAKXVFWIA-LRDDRELGSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574488070 949944133 /nfs/dbraw/zinc/94/41/33/949944133.db2.gz DBJYVHUNYKFJLO-JSGCOSHPSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H](CN(C)C(=O)CNC(=O)CC(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574727050 949949303 /nfs/dbraw/zinc/94/93/03/949949303.db2.gz OHYSJOLHQMMNQP-GFCCVEGCSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)CCNC(=O)C1 ZINC001575571384 949958301 /nfs/dbraw/zinc/95/83/01/949958301.db2.gz ZZXMVNFYCVIKBT-GTNSWQLSSA-N 0 1 389.485 0.535 20 0 GCADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1NC(=O)C1(C)CCOCC1 ZINC001575571990 949963255 /nfs/dbraw/zinc/96/32/55/949963255.db2.gz CAKOYWYVINPGDO-LBPRGKRZSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575890894 949969591 /nfs/dbraw/zinc/96/95/91/949969591.db2.gz BDOWGYIEAPMRDI-ZYHUDNBSSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575890892 949970736 /nfs/dbraw/zinc/97/07/36/949970736.db2.gz BDOWGYIEAPMRDI-JQWIXIFHSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H]1CCN(C(=O)C2=COCCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180900 949976364 /nfs/dbraw/zinc/97/63/64/949976364.db2.gz FYZQUUIBUOZQRT-GXTWGEPZSA-N 0 1 384.444 0.669 20 0 GCADMN C[C@@H](NC(=O)CN(C)CCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575286201 949976536 /nfs/dbraw/zinc/97/65/36/949976536.db2.gz UOJXJXSBBLVYJQ-GFCCVEGCSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180847 949976582 /nfs/dbraw/zinc/97/65/82/949976582.db2.gz FVAWUXPBBNOMFL-KBPBESRZSA-N 0 1 387.492 0.317 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181210 949991087 /nfs/dbraw/zinc/99/10/87/949991087.db2.gz KRBIIGNOZDQVEA-IAQYHMDHSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2ccc(F)nc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891272 949994521 /nfs/dbraw/zinc/99/45/21/949994521.db2.gz HFFQSCFFOJKQAX-CMPLNLGQSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575573521 949999665 /nfs/dbraw/zinc/99/96/65/949999665.db2.gz MSUVAMXRYWPZTH-BZNIZROVSA-N 0 1 380.474 0.312 20 0 GCADMN CC(C)C[C@H](CNC(=O)CN1CCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574149709 950016293 /nfs/dbraw/zinc/01/62/93/950016293.db2.gz XGLRPPPJPNNOEP-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H](CN(C)C(=O)Cc1cc(F)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574729073 950016531 /nfs/dbraw/zinc/01/65/31/950016531.db2.gz NDJGKZUOYUHSFG-JTQLQIEISA-N 0 1 388.382 0.858 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccn(C)c2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181795 950022579 /nfs/dbraw/zinc/02/25/79/950022579.db2.gz MQJXVNGNCHWJDM-TZMCWYRMSA-N 0 1 381.444 0.770 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150275 950028122 /nfs/dbraw/zinc/02/81/22/950028122.db2.gz AWWKVURTKMXUHU-JQWIXIFHSA-N 0 1 392.489 0.230 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150275 950028139 /nfs/dbraw/zinc/02/81/39/950028139.db2.gz AWWKVURTKMXUHU-JQWIXIFHSA-N 0 1 392.489 0.230 20 0 GCADMN C[C@@]1(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCCOC1 ZINC001575574871 950036148 /nfs/dbraw/zinc/03/61/48/950036148.db2.gz ZZXWNFPMABSMSU-FZKQIMNGSA-N 0 1 392.435 0.389 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCCOC1 ZINC001575574873 950036445 /nfs/dbraw/zinc/03/64/45/950036445.db2.gz ZZXWNFPMABSMSU-SCLBCKFNSA-N 0 1 392.435 0.389 20 0 GCADMN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC(F)(F)C1 ZINC001575574878 950038286 /nfs/dbraw/zinc/03/82/86/950038286.db2.gz AWYORTRRMZNJKE-SECBINFHSA-N 0 1 386.428 0.930 20 0 GCADMN CC1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC(F)(F)C1 ZINC001575574878 950038309 /nfs/dbraw/zinc/03/83/09/950038309.db2.gz AWYORTRRMZNJKE-SECBINFHSA-N 0 1 386.428 0.930 20 0 GCADMN CC1(C(=O)NC[C@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)CCOCC1 ZINC001575575807 950059074 /nfs/dbraw/zinc/05/90/74/950059074.db2.gz LXYWNECBUHGTMN-CQSZACIVSA-N 0 1 392.435 0.389 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182866 950066062 /nfs/dbraw/zinc/06/60/62/950066062.db2.gz NQMCVVSDZBKYOM-STQMWFEESA-N 0 1 382.428 0.811 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cncn1 ZINC001574151359 950070514 /nfs/dbraw/zinc/07/05/14/950070514.db2.gz PVVBUFPNTCLWGE-LBPRGKRZSA-N 0 1 389.489 0.840 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cncn1 ZINC001574151359 950070535 /nfs/dbraw/zinc/07/05/35/950070535.db2.gz PVVBUFPNTCLWGE-LBPRGKRZSA-N 0 1 389.489 0.840 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnn(C)c2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183038 950076615 /nfs/dbraw/zinc/07/66/15/950076615.db2.gz QMWAHRGMBMFTRS-BLLLJJGKSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575576978 950079595 /nfs/dbraw/zinc/07/95/95/950079595.db2.gz UHUWKSOTRNWSLH-BDJLRTHQSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC001575576978 950079620 /nfs/dbraw/zinc/07/96/20/950079620.db2.gz UHUWKSOTRNWSLH-BDJLRTHQSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183294 950082580 /nfs/dbraw/zinc/08/25/80/950082580.db2.gz PCMMGIBMECAWLL-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733160 950095486 /nfs/dbraw/zinc/09/54/86/950095486.db2.gz UKJIKIMLXBOTCU-SECBINFHSA-N 0 1 392.374 0.172 20 0 GCADMN C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733161 950098062 /nfs/dbraw/zinc/09/80/62/950098062.db2.gz UKJIKIMLXBOTCU-VIFPVBQESA-N 0 1 392.374 0.172 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183691 950099815 /nfs/dbraw/zinc/09/98/15/950099815.db2.gz SOYWYUFRCDTIOD-GXTWGEPZSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574493205 950116545 /nfs/dbraw/zinc/11/65/45/950116545.db2.gz FLHHOEDLSZMTKT-WDSKDSINSA-N 0 1 387.857 0.340 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576184136 950119399 /nfs/dbraw/zinc/11/93/99/950119399.db2.gz ULJFDXSTEORRKW-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576184136 950119413 /nfs/dbraw/zinc/11/94/13/950119413.db2.gz ULJFDXSTEORRKW-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576184302 950124547 /nfs/dbraw/zinc/12/45/47/950124547.db2.gz UVSHWLDVUQBSBL-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576184302 950124557 /nfs/dbraw/zinc/12/45/57/950124557.db2.gz UVSHWLDVUQBSBL-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576184302 950124571 /nfs/dbraw/zinc/12/45/71/950124571.db2.gz UVSHWLDVUQBSBL-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576184302 950124579 /nfs/dbraw/zinc/12/45/79/950124579.db2.gz UVSHWLDVUQBSBL-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896251 950125863 /nfs/dbraw/zinc/12/58/63/950125863.db2.gz LIESHVZSNSCOOS-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896226 950126766 /nfs/dbraw/zinc/12/67/66/950126766.db2.gz LHOVFGHZDJPFPK-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574733980 950126825 /nfs/dbraw/zinc/12/68/25/950126825.db2.gz IOCVUPQHPFDEHC-QMTHXVAHSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@]1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCC2)CCCOC1 ZINC001575584093 950161892 /nfs/dbraw/zinc/16/18/92/950161892.db2.gz VLTCPURZPUFLCT-KRWDZBQOSA-N 0 1 386.460 0.736 20 0 GCADMN C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190535 950163987 /nfs/dbraw/zinc/16/39/87/950163987.db2.gz AKRDXNTXEOMCIF-RYUDHWBXSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cn(C)cn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190533 950164916 /nfs/dbraw/zinc/16/49/16/950164916.db2.gz AKRDXNTXEOMCIF-NEPJUHHUSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@](C)(O)C1CC1 ZINC001574154343 950168366 /nfs/dbraw/zinc/16/83/66/950168366.db2.gz DHUAPIVCDGBBSH-UGSOOPFHSA-N 0 1 388.476 0.573 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001574982523 950171306 /nfs/dbraw/zinc/17/13/06/950171306.db2.gz DXJZNROPIJHREH-QWRGUYRKSA-N 0 1 385.432 0.279 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574154635 950174177 /nfs/dbraw/zinc/17/41/77/950174177.db2.gz FMOIHUULOVTJKC-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574154635 950174187 /nfs/dbraw/zinc/17/41/87/950174187.db2.gz FMOIHUULOVTJKC-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574154635 950174196 /nfs/dbraw/zinc/17/41/96/950174196.db2.gz FMOIHUULOVTJKC-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574154635 950174211 /nfs/dbraw/zinc/17/42/11/950174211.db2.gz FMOIHUULOVTJKC-ZIAGYGMSSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)(NC(=O)CN1CCCC1)C1CC1 ZINC001574982663 950175125 /nfs/dbraw/zinc/17/51/25/950175125.db2.gz FIOQOUPPGWOOTE-GOSISDBHSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574738590 950175606 /nfs/dbraw/zinc/17/56/06/950175606.db2.gz GXNWTSOGMZTSOF-YUSALJHKSA-N 0 1 383.416 0.298 20 0 GCADMN C[C@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191161 950188317 /nfs/dbraw/zinc/18/83/17/950188317.db2.gz DSQQFNMJAZNJHM-WDEREUQCSA-N 0 1 385.457 0.745 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574155244 950189579 /nfs/dbraw/zinc/18/95/79/950189579.db2.gz KMKMHADENPQJIO-KBPBESRZSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574155244 950189586 /nfs/dbraw/zinc/18/95/86/950189586.db2.gz KMKMHADENPQJIO-KBPBESRZSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574155244 950189596 /nfs/dbraw/zinc/18/95/96/950189596.db2.gz KMKMHADENPQJIO-KBPBESRZSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574155461 950190682 /nfs/dbraw/zinc/19/06/82/950190682.db2.gz LPACYMPOLLNASR-ZIAGYGMSSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574155461 950190697 /nfs/dbraw/zinc/19/06/97/950190697.db2.gz LPACYMPOLLNASR-ZIAGYGMSSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574155461 950190706 /nfs/dbraw/zinc/19/07/06/950190706.db2.gz LPACYMPOLLNASR-ZIAGYGMSSA-N 0 1 387.492 0.506 20 0 GCADMN C[C@]1(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCNC1=O ZINC001575585376 950191326 /nfs/dbraw/zinc/19/13/26/950191326.db2.gz YKVOCQVRSFKDKY-XIKOKIGWSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900468 950198555 /nfs/dbraw/zinc/19/85/55/950198555.db2.gz FUEJBFAOUWCRJS-FZMZJTMJSA-N 0 1 382.432 0.173 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001574155684 950207454 /nfs/dbraw/zinc/20/74/54/950207454.db2.gz QBTVGPYTXCWTFS-UONOGXRCSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574496588 950218036 /nfs/dbraw/zinc/21/80/36/950218036.db2.gz XPFADYDHWXBXJB-WDEREUQCSA-N 0 1 392.439 0.389 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574155970 950218060 /nfs/dbraw/zinc/21/80/60/950218060.db2.gz SOLXYPXJVMIBEE-CYBMUJFWSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@H](CN(C)C(=O)c1c2c(nn1C)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574740030 950219526 /nfs/dbraw/zinc/21/95/26/950219526.db2.gz BJOOJRURRZWTEH-LLVKDONJSA-N 0 1 381.444 0.478 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575901100 950220537 /nfs/dbraw/zinc/22/05/37/950220537.db2.gz LDDISMYHDRJDHR-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574497326 950224865 /nfs/dbraw/zinc/22/48/65/950224865.db2.gz ZFWXEOBSJOTNPA-JSGCOSHPSA-N 0 1 382.428 0.161 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574497327 950225077 /nfs/dbraw/zinc/22/50/77/950225077.db2.gz ZFWXEOBSJOTNPA-OCCSQVGLSA-N 0 1 382.428 0.161 20 0 GCADMN C[C@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574497328 950226310 /nfs/dbraw/zinc/22/63/10/950226310.db2.gz ZFWXEOBSJOTNPA-TZMCWYRMSA-N 0 1 382.428 0.161 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574497355 950230535 /nfs/dbraw/zinc/23/05/35/950230535.db2.gz ZQUFQRDTVNQJTC-RYUDHWBXSA-N 0 1 376.465 0.430 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1ccn(C)n1 ZINC001574157438 950236414 /nfs/dbraw/zinc/23/64/14/950236414.db2.gz BIJVATQQTWZYFM-AWEZNQCLSA-N 0 1 383.460 0.603 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)CCc1cnc[nH]1 ZINC001574157452 950236538 /nfs/dbraw/zinc/23/65/38/950236538.db2.gz BMMHTOMFQKGRQV-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)[C@H]1CCCO1 ZINC001574497723 950237769 /nfs/dbraw/zinc/23/77/69/950237769.db2.gz BSYFYXRAUZRWGJ-CHWSQXEVSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576192291 950239573 /nfs/dbraw/zinc/23/95/73/950239573.db2.gz NCKVLKIKUWBGKD-ZYHUDNBSSA-N 0 1 383.416 0.446 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574983819 950241196 /nfs/dbraw/zinc/24/11/96/950241196.db2.gz SELIVEUDQICVKL-SECBINFHSA-N 0 1 386.391 0.341 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574157652 950244872 /nfs/dbraw/zinc/24/48/72/950244872.db2.gz FZBHBCVVPYFXRW-OLZOCXBDSA-N 0 1 387.444 0.580 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1COCCO1 ZINC001574157735 950250343 /nfs/dbraw/zinc/25/03/43/950250343.db2.gz HNXSQVBRGCJACF-SWLSCSKDSA-N 0 1 375.433 0.042 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574157835 950260187 /nfs/dbraw/zinc/26/01/87/950260187.db2.gz JOTPMWVANROVKT-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574157835 950260209 /nfs/dbraw/zinc/26/02/09/950260209.db2.gz JOTPMWVANROVKT-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574157835 950260224 /nfs/dbraw/zinc/26/02/24/950260224.db2.gz JOTPMWVANROVKT-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574157835 950260241 /nfs/dbraw/zinc/26/02/41/950260241.db2.gz JOTPMWVANROVKT-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H](CNC(=O)c1cnc[nH]c1=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574984133 950260360 /nfs/dbraw/zinc/26/03/60/950260360.db2.gz VTJKQROEZRESHX-RXMQYKEDSA-N 0 1 381.809 0.703 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cncn1C ZINC001574157865 950260589 /nfs/dbraw/zinc/26/05/89/950260589.db2.gz KIXBLUUYYQLOSI-CYBMUJFWSA-N 0 1 383.460 0.603 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CCCC1=O ZINC001574157977 950262080 /nfs/dbraw/zinc/26/20/80/950262080.db2.gz MALCTRIZYKXTJX-CYBMUJFWSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@]1(C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCCOC1 ZINC001575589553 950263970 /nfs/dbraw/zinc/26/39/70/950263970.db2.gz WFWJXESZHCJCRA-GOSISDBHSA-N 0 1 386.460 0.806 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H](C)NC(N)=O ZINC001574157971 950264178 /nfs/dbraw/zinc/26/41/78/950264178.db2.gz MADGLKNTEGSOQK-NEPJUHHUSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576192749 950265565 /nfs/dbraw/zinc/26/55/65/950265565.db2.gz QRJRWUGICDMPCP-MNOVXSKESA-N 0 1 383.416 0.446 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC1OCCCO1 ZINC001574158068 950268163 /nfs/dbraw/zinc/26/81/63/950268163.db2.gz NUZOHKNUXGSWLO-ZDUSSCGKSA-N 0 1 389.460 0.780 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575904835 950285530 /nfs/dbraw/zinc/28/55/30/950285530.db2.gz AVCPIVZWVLXIPY-BXUZGUMPSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575904835 950285549 /nfs/dbraw/zinc/28/55/49/950285549.db2.gz AVCPIVZWVLXIPY-BXUZGUMPSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576193224 950285780 /nfs/dbraw/zinc/28/57/80/950285780.db2.gz SSJAPIWYYLTZTG-GHMZBOCLSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576193224 950285798 /nfs/dbraw/zinc/28/57/98/950285798.db2.gz SSJAPIWYYLTZTG-GHMZBOCLSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H](CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574498872 950288066 /nfs/dbraw/zinc/28/80/66/950288066.db2.gz QPKHHWNINHVDON-IYXRBSQSSA-N 0 1 381.444 0.838 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCc1cn[nH]c1 ZINC001574158744 950288597 /nfs/dbraw/zinc/28/85/97/950288597.db2.gz RUUFPEFQBXTQCP-CQSZACIVSA-N 0 1 383.460 0.982 20 0 GCADMN C[C@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)c1cnn(C)c1 ZINC001574498915 950289386 /nfs/dbraw/zinc/28/93/86/950289386.db2.gz RHLPUFAMAVKUGQ-GFCCVEGCSA-N 0 1 381.444 0.672 20 0 GCADMN C[C@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574498846 950290325 /nfs/dbraw/zinc/29/03/25/950290325.db2.gz QFMMGGKAQWSDDU-VXGBXAGGSA-N 0 1 376.465 0.430 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574498844 950290465 /nfs/dbraw/zinc/29/04/65/950290465.db2.gz QFMMGGKAQWSDDU-NWDGAFQWSA-N 0 1 376.465 0.430 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193312 950290876 /nfs/dbraw/zinc/29/08/76/950290876.db2.gz SLVMWZKKFFZVKA-STQMWFEESA-N 0 1 381.444 0.627 20 0 GCADMN C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193607 950305284 /nfs/dbraw/zinc/30/52/84/950305284.db2.gz UTTJXKSFNZKXQJ-UWVGGRQHSA-N 0 1 386.395 0.151 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159684 950309704 /nfs/dbraw/zinc/30/97/04/950309704.db2.gz XYUVGXITANXRTB-UKRRQHHQSA-N 0 1 389.508 0.608 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)[C@@H]1CCN(C2CCC2)C1=O ZINC001574988262 950327357 /nfs/dbraw/zinc/32/73/57/950327357.db2.gz PMPQTDJZZOPOAM-XHDPSFHLSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576194230 950329853 /nfs/dbraw/zinc/32/98/53/950329853.db2.gz XXHXMRGIEZWENF-WFASDCNBSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576194230 950329863 /nfs/dbraw/zinc/32/98/63/950329863.db2.gz XXHXMRGIEZWENF-WFASDCNBSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cncn1 ZINC001575907426 950332386 /nfs/dbraw/zinc/33/23/86/950332386.db2.gz OOBNYDFBTKWOIZ-WCQYABFASA-N 0 1 387.473 0.689 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cncn1 ZINC001575907426 950332408 /nfs/dbraw/zinc/33/24/08/950332408.db2.gz OOBNYDFBTKWOIZ-WCQYABFASA-N 0 1 387.473 0.689 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574160215 950334091 /nfs/dbraw/zinc/33/40/91/950334091.db2.gz MKGIVBBVQUASSN-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574160215 950334110 /nfs/dbraw/zinc/33/41/10/950334110.db2.gz MKGIVBBVQUASSN-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574160215 950334132 /nfs/dbraw/zinc/33/41/32/950334132.db2.gz MKGIVBBVQUASSN-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574160215 950334154 /nfs/dbraw/zinc/33/41/54/950334154.db2.gz MKGIVBBVQUASSN-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576194228 950334853 /nfs/dbraw/zinc/33/48/53/950334853.db2.gz XXHXMRGIEZWENF-IUODEOHRSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576194228 950334883 /nfs/dbraw/zinc/33/48/83/950334883.db2.gz XXHXMRGIEZWENF-IUODEOHRSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cncn1C ZINC001575907558 950340270 /nfs/dbraw/zinc/34/02/70/950340270.db2.gz PDGSYCFPOGVDOA-RISCZKNCSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CN1CCOCC1 ZINC001575907991 950348445 /nfs/dbraw/zinc/34/84/45/950348445.db2.gz SGIZYMMRYANCQE-TZMCWYRMSA-N 0 1 391.501 0.339 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CN1CCOCC1 ZINC001575907991 950348450 /nfs/dbraw/zinc/34/84/50/950348450.db2.gz SGIZYMMRYANCQE-TZMCWYRMSA-N 0 1 391.501 0.339 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574160894 950349016 /nfs/dbraw/zinc/34/90/16/950349016.db2.gz QREVTFKHBOKCCB-AWEZNQCLSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574160894 950349038 /nfs/dbraw/zinc/34/90/38/950349038.db2.gz QREVTFKHBOKCCB-AWEZNQCLSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196248 950350637 /nfs/dbraw/zinc/35/06/37/950350637.db2.gz BSHKFPOYKQBOLU-KGLIPLIRSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196248 950350652 /nfs/dbraw/zinc/35/06/52/950350652.db2.gz BSHKFPOYKQBOLU-KGLIPLIRSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196248 950350672 /nfs/dbraw/zinc/35/06/72/950350672.db2.gz BSHKFPOYKQBOLU-KGLIPLIRSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576196233 950352327 /nfs/dbraw/zinc/35/23/27/950352327.db2.gz BGPRNGOCLFHRHZ-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196233 950352344 /nfs/dbraw/zinc/35/23/44/950352344.db2.gz BGPRNGOCLFHRHZ-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196233 950352363 /nfs/dbraw/zinc/35/23/63/950352363.db2.gz BGPRNGOCLFHRHZ-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573855139 950355636 /nfs/dbraw/zinc/35/56/36/950355636.db2.gz JPMMGIKKCTYCQL-GFCCVEGCSA-N 0 1 388.476 0.694 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)C1 ZINC001576196661 950366747 /nfs/dbraw/zinc/36/67/47/950366747.db2.gz FPVLUUHSIAAVCN-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)C1 ZINC001576196661 950366763 /nfs/dbraw/zinc/36/67/63/950366763.db2.gz FPVLUUHSIAAVCN-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576196756 950371919 /nfs/dbraw/zinc/37/19/19/950371919.db2.gz HFDAUVIMBGGLJT-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576196756 950371940 /nfs/dbraw/zinc/37/19/40/950371940.db2.gz HFDAUVIMBGGLJT-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)on1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574745143 950372171 /nfs/dbraw/zinc/37/21/71/950372171.db2.gz FOZRIFOGIYZIET-JTQLQIEISA-N 0 1 385.432 0.937 20 0 GCADMN C[C@H]1[C@H](NCc2cc3n(n2)CCC3)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908843 950376593 /nfs/dbraw/zinc/37/65/93/950376593.db2.gz WCZCDPHIZAKGGG-XHDPSFHLSA-N 0 1 381.444 0.730 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196971 950376382 /nfs/dbraw/zinc/37/63/82/950376382.db2.gz KPLHMGNADQGBOC-ZIAGYGMSSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196971 950376407 /nfs/dbraw/zinc/37/64/07/950376407.db2.gz KPLHMGNADQGBOC-ZIAGYGMSSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196971 950376431 /nfs/dbraw/zinc/37/64/31/950376431.db2.gz KPLHMGNADQGBOC-ZIAGYGMSSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196968 950377301 /nfs/dbraw/zinc/37/73/01/950377301.db2.gz KPLHMGNADQGBOC-KBPBESRZSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196968 950377319 /nfs/dbraw/zinc/37/73/19/950377319.db2.gz KPLHMGNADQGBOC-KBPBESRZSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196968 950377335 /nfs/dbraw/zinc/37/73/35/950377335.db2.gz KPLHMGNADQGBOC-KBPBESRZSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H](CC(=O)NC/C=C/CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574502468 950377878 /nfs/dbraw/zinc/37/78/78/950377878.db2.gz NUMGHWLIIOZOBE-ITDFMYJTSA-N 0 1 381.444 0.695 20 0 GCADMN C[C@@H](CC(=O)NC/C=C\CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574502470 950382621 /nfs/dbraw/zinc/38/26/21/950382621.db2.gz NUMGHWLIIOZOBE-SCOBNMCVSA-N 0 1 381.444 0.695 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574502821 950388221 /nfs/dbraw/zinc/38/82/21/950388221.db2.gz QRFUMLFPNNCWBG-RYUDHWBXSA-N 0 1 387.448 0.041 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576197288 950390312 /nfs/dbraw/zinc/39/03/12/950390312.db2.gz MTSLCNYKGATMCL-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576197288 950390331 /nfs/dbraw/zinc/39/03/31/950390331.db2.gz MTSLCNYKGATMCL-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576197288 950390346 /nfs/dbraw/zinc/39/03/46/950390346.db2.gz MTSLCNYKGATMCL-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576197288 950390364 /nfs/dbraw/zinc/39/03/64/950390364.db2.gz MTSLCNYKGATMCL-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)c1cc(C(=O)N(C)C[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n(C)n1 ZINC001574746247 950392649 /nfs/dbraw/zinc/39/26/49/950392649.db2.gz NAWNQOIQEODBOY-LLVKDONJSA-N 0 1 384.448 0.508 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197444 950393924 /nfs/dbraw/zinc/39/39/24/950393924.db2.gz OAHJFQIZPVQXQU-UONOGXRCSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1ccn(C)n1 ZINC001575909334 950395130 /nfs/dbraw/zinc/39/51/30/950395130.db2.gz YVBDCASBYBQPNG-RISCZKNCSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1ccn(C)n1 ZINC001575909334 950395148 /nfs/dbraw/zinc/39/51/48/950395148.db2.gz YVBDCASBYBQPNG-RISCZKNCSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)C1=COCCO1 ZINC001575909359 950395472 /nfs/dbraw/zinc/39/54/72/950395472.db2.gz YXCKLZGWPJHLRX-CMPLNLGQSA-N 0 1 376.442 0.895 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)C1=COCCO1 ZINC001575909359 950395494 /nfs/dbraw/zinc/39/54/94/950395494.db2.gz YXCKLZGWPJHLRX-CMPLNLGQSA-N 0 1 376.442 0.895 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576197945 950399356 /nfs/dbraw/zinc/39/93/56/950399356.db2.gz PUUVRQWVSUQYQQ-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576197945 950399365 /nfs/dbraw/zinc/39/93/65/950399365.db2.gz PUUVRQWVSUQYQQ-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576197934 950401209 /nfs/dbraw/zinc/40/12/09/950401209.db2.gz PSVPMEWCPVUHKO-AWEZNQCLSA-N 0 1 385.476 0.792 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC(Nc3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001576198018 950404178 /nfs/dbraw/zinc/40/41/78/950404178.db2.gz RCJNWKITNAZNBB-UHFFFAOYSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@@H](CC(=O)NC/C=C\CNCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574503280 950407057 /nfs/dbraw/zinc/40/70/57/950407057.db2.gz UDCZFSNQVFYBJX-QUCGXOGASA-N 0 1 390.423 0.215 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576198497 950409566 /nfs/dbraw/zinc/40/95/66/950409566.db2.gz UBQNBASKSGYYMM-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576198497 950409578 /nfs/dbraw/zinc/40/95/78/950409578.db2.gz UBQNBASKSGYYMM-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576198443 950410090 /nfs/dbraw/zinc/41/00/90/950410090.db2.gz STIJJTYUBMIRHU-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576198443 950410107 /nfs/dbraw/zinc/41/01/07/950410107.db2.gz STIJJTYUBMIRHU-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576198443 950410118 /nfs/dbraw/zinc/41/01/18/950410118.db2.gz STIJJTYUBMIRHU-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576198443 950410134 /nfs/dbraw/zinc/41/01/34/950410134.db2.gz STIJJTYUBMIRHU-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576198412 950410186 /nfs/dbraw/zinc/41/01/86/950410186.db2.gz SMPNGXZLFFPQGG-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576198412 950410200 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C[C@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760250 950659096 /nfs/dbraw/zinc/65/90/96/950659096.db2.gz UXMVSCHMRGFJFQ-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574760250 950659104 /nfs/dbraw/zinc/65/91/04/950659104.db2.gz UXMVSCHMRGFJFQ-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3ccncc3-c3nn[nH]n3)c2C1 ZINC001576214474 950671658 /nfs/dbraw/zinc/67/16/58/950671658.db2.gz AQABPJSNLXAFAM-GFCCVEGCSA-N 0 1 381.444 0.647 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(F)(F)F ZINC001574519440 950682579 /nfs/dbraw/zinc/68/25/79/950682579.db2.gz VVUGKGGTVODZET-XBWDGYHZSA-N 0 1 382.350 0.796 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576214997 950687181 /nfs/dbraw/zinc/68/71/81/950687181.db2.gz SZTBUUIFTRYNRF-UXOAXIEHSA-N 0 1 383.460 0.224 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576214997 950687195 /nfs/dbraw/zinc/68/71/95/950687195.db2.gz SZTBUUIFTRYNRF-UXOAXIEHSA-N 0 1 383.460 0.224 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnc(C2CC2)nc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760912 950690126 /nfs/dbraw/zinc/69/01/26/950690126.db2.gz OJSNCMBFBQXUKM-JTQLQIEISA-N 0 1 380.416 0.319 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574761159 950692522 /nfs/dbraw/zinc/69/25/22/950692522.db2.gz RKFRBWAMBOYRHO-SNVBAGLBSA-N 0 1 391.386 0.718 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCO1 ZINC001574519759 950693687 /nfs/dbraw/zinc/69/36/87/950693687.db2.gz YNKNDPJVQJDSKL-XDQVBPFNSA-N 0 1 386.460 0.591 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(c1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575005709 950697728 /nfs/dbraw/zinc/69/77/28/950697728.db2.gz LKIQJFPMYJDFNC-LBPRGKRZSA-N 0 1 381.444 0.694 20 0 GCADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573878173 950702243 /nfs/dbraw/zinc/70/22/43/950702243.db2.gz KNUPLFSIVGIDRK-FMTVUPSXSA-N 0 1 386.460 0.396 20 0 GCADMN CC1(C)C2CCC1(C(=O)NC[C@H](O)CNc1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575626033 950704476 /nfs/dbraw/zinc/70/44/76/950704476.db2.gz WHQFFHRFLJOMSC-BJCXPLBRSA-N 0 1 386.460 0.184 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575926457 950708103 /nfs/dbraw/zinc/70/81/03/950708103.db2.gz KDWISWAUQFNCAX-ABAIWWIYSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215774 950710597 /nfs/dbraw/zinc/71/05/97/950710597.db2.gz GGWWUPTYXURFRA-RYUDHWBXSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575006512 950719442 /nfs/dbraw/zinc/71/94/42/950719442.db2.gz VFLZXGSGIQDHTR-LLVKDONJSA-N 0 1 382.432 0.444 20 0 GCADMN CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001573879452 950723219 /nfs/dbraw/zinc/72/32/19/950723219.db2.gz BVSNFVDSILQCGG-MGCOHNPYSA-N 0 1 382.432 0.472 20 0 GCADMN CC(C)(C)c1cc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)no1 ZINC001573879516 950723361 /nfs/dbraw/zinc/72/33/61/950723361.db2.gz DDTDGSIQLHABJZ-UHFFFAOYSA-N 0 1 383.416 0.739 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926923 950725572 /nfs/dbraw/zinc/72/55/72/950725572.db2.gz ZCQKATMNSIBKOK-KOLCDFICSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnnn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574763659 950728195 /nfs/dbraw/zinc/72/81/95/950728195.db2.gz HKPTZLCADJIHPE-LURJTMIESA-N 0 1 382.841 0.678 20 0 GCADMN CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)cn1 ZINC001575927069 950730647 /nfs/dbraw/zinc/73/06/47/950730647.db2.gz ZXTIGUIWUBMLLB-YPMHNXCESA-N 0 1 382.432 0.571 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927136 950736135 /nfs/dbraw/zinc/73/61/35/950736135.db2.gz NSHPUVRNCODBCJ-WCQYABFASA-N 0 1 386.460 0.247 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnc(N(C)C)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763986 950739910 /nfs/dbraw/zinc/73/99/10/950739910.db2.gz OLAOFMOUMZUSMY-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216626 950741177 /nfs/dbraw/zinc/74/11/77/950741177.db2.gz FAIJBVWWWVYEFI-DTWKUNHWSA-N 0 1 382.350 0.680 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575927634 950747360 /nfs/dbraw/zinc/74/73/60/950747360.db2.gz RELTXIOZGWGGSU-CABZTGNLSA-N 0 1 389.370 0.990 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574764474 950751341 /nfs/dbraw/zinc/75/13/41/950751341.db2.gz UECPWIFNHQREGC-NSHDSACASA-N 0 1 379.428 0.924 20 0 GCADMN C[C@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574764471 950754255 /nfs/dbraw/zinc/75/42/55/950754255.db2.gz UECPWIFNHQREGC-LLVKDONJSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cnccn1 ZINC001575927932 950762354 /nfs/dbraw/zinc/76/23/54/950762354.db2.gz WISPWXHYSRFUQB-WFASDCNBSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574764815 950765402 /nfs/dbraw/zinc/76/54/02/950765402.db2.gz ZABFWIMKLSOHST-NSHDSACASA-N 0 1 383.416 0.235 20 0 GCADMN CC(C)(C)c1nc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001573884514 950795262 /nfs/dbraw/zinc/79/52/62/950795262.db2.gz DGTBCQCEKWPDIU-JTQLQIEISA-N 0 1 384.448 0.615 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cncn1 ZINC001574522860 950802139 /nfs/dbraw/zinc/80/21/39/950802139.db2.gz LJWZKSGSTQIQRN-WDEREUQCSA-N 0 1 375.462 0.593 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cncn1 ZINC001574522860 950802155 /nfs/dbraw/zinc/80/21/55/950802155.db2.gz LJWZKSGSTQIQRN-WDEREUQCSA-N 0 1 375.462 0.593 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cncn1 ZINC001574522858 950804377 /nfs/dbraw/zinc/80/43/77/950804377.db2.gz LJWZKSGSTQIQRN-QWRGUYRKSA-N 0 1 375.462 0.593 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cncn1 ZINC001574522858 950804400 /nfs/dbraw/zinc/80/44/00/950804400.db2.gz LJWZKSGSTQIQRN-QWRGUYRKSA-N 0 1 375.462 0.593 20 0 GCADMN C[C@@H](CN(C)C(=O)c1occ2c1CCOC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574766309 950814000 /nfs/dbraw/zinc/81/40/00/950814000.db2.gz HZUAWRORQUZICS-NSHDSACASA-N 0 1 383.412 0.922 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220702 950835579 /nfs/dbraw/zinc/83/55/79/950835579.db2.gz SKCPJQSPEFRXOJ-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220702 950835601 /nfs/dbraw/zinc/83/56/01/950835601.db2.gz SKCPJQSPEFRXOJ-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H](CN(C)[C@@H]1CCN(C2CCC2)C1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767129 950836961 /nfs/dbraw/zinc/83/69/61/950836961.db2.gz MCNQRDQIXXRUOQ-IAQYHMDHSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H](CN(C)[C@@H]1CCN(C2CCC2)C1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767133 950838034 /nfs/dbraw/zinc/83/80/34/950838034.db2.gz MCNQRDQIXXRUOQ-XHDPSFHLSA-N 0 1 386.460 0.398 20 0 GCADMN CC(C)(C)c1nc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)co1 ZINC001573885922 950840304 /nfs/dbraw/zinc/84/03/04/950840304.db2.gz XSMPXMMEKXFRJY-JTQLQIEISA-N 0 1 386.416 0.172 20 0 GCADMN C[C@@H]1CCc2nc(C(=O)N(C)CCNc3ccnc(-c4nn[nH]n4)n3)cn2C1 ZINC001576220954 950841310 /nfs/dbraw/zinc/84/13/10/950841310.db2.gz YEFUFVVAJDISAW-LLVKDONJSA-N 0 1 382.432 0.042 20 0 GCADMN C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCc1c[nH]nn1 ZINC001575933671 950848540 /nfs/dbraw/zinc/84/85/40/950848540.db2.gz PFOZOBYYAFKYOI-RNCFNFMXSA-N 0 1 386.395 0.553 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573888704 950874122 /nfs/dbraw/zinc/87/41/22/950874122.db2.gz YZSBDJSLNGCMNF-SNVBAGLBSA-N 0 1 386.416 0.172 20 0 GCADMN C[C@@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768026 950877763 /nfs/dbraw/zinc/87/77/63/950877763.db2.gz WVJCOHSZPIPTSG-JTQLQIEISA-N 0 1 383.416 0.907 20 0 GCADMN C[C@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574768312 950886612 /nfs/dbraw/zinc/88/66/12/950886612.db2.gz UESQHWFEGKYKIO-SNVBAGLBSA-N 0 1 384.400 0.317 20 0 GCADMN C[C@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576226864 950892321 /nfs/dbraw/zinc/89/23/21/950892321.db2.gz CLHUGDHWOZNVAI-SGTLLEGYSA-N 0 1 384.444 0.653 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576227089 950903024 /nfs/dbraw/zinc/90/30/24/950903024.db2.gz BITNPRTXVGLYDX-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)(C)n1cnc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001573893888 950908162 /nfs/dbraw/zinc/90/81/62/950908162.db2.gz AQBGBXHXQSCMAN-SNVBAGLBSA-N 0 1 383.420 0.012 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576227524 950916918 /nfs/dbraw/zinc/91/69/18/950916918.db2.gz DNIHJBDGKCXNMQ-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576227524 950916928 /nfs/dbraw/zinc/91/69/28/950916928.db2.gz DNIHJBDGKCXNMQ-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)c1N ZINC001574528113 950921858 /nfs/dbraw/zinc/92/18/58/950921858.db2.gz LGHOJJFOYWSMLT-UWVGGRQHSA-N 0 1 389.489 0.931 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)c1N ZINC001574528113 950921879 /nfs/dbraw/zinc/92/18/79/950921879.db2.gz LGHOJJFOYWSMLT-UWVGGRQHSA-N 0 1 389.489 0.931 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228061 950929712 /nfs/dbraw/zinc/92/97/12/950929712.db2.gz IMFRLYMVMRCANE-GXTWGEPZSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576228138 950934820 /nfs/dbraw/zinc/93/48/20/950934820.db2.gz JFZFVGHBLYIQCE-BLLLJJGKSA-N 0 1 390.451 0.752 20 0 GCADMN CC1(C)C[C@H]1C(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001575642905 950951805 /nfs/dbraw/zinc/95/18/05/950951805.db2.gz JKGZJVWEMYESGH-KPZWWZAWSA-N 0 1 384.444 0.511 20 0 GCADMN C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1nnnn1C1CC1 ZINC001574530602 950987633 /nfs/dbraw/zinc/98/76/33/950987633.db2.gz CMMZOTBRKWNLRU-NXEZZACHSA-N 0 1 385.436 0.203 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575017422 950993656 /nfs/dbraw/zinc/99/36/56/950993656.db2.gz FURHYZJSNSPIFV-QMMMGPOBSA-N 0 1 375.343 0.642 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576230196 950995683 /nfs/dbraw/zinc/99/56/83/950995683.db2.gz LSJAGGPMJUZVLZ-CHWSQXEVSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@H](C)C(=O)Nc1nccs1 ZINC001575018916 951027164 /nfs/dbraw/zinc/02/71/64/951027164.db2.gz RPCXTGDYZAGHJI-RKDXNWHRSA-N 0 1 389.445 0.386 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575019225 951034989 /nfs/dbraw/zinc/03/49/89/951034989.db2.gz SBGCMNXNFNOOBV-NSHDSACASA-N 0 1 380.412 0.615 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575023553 951080729 /nfs/dbraw/zinc/08/07/29/951080729.db2.gz NMYONHOUBPZZST-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575023553 951080735 /nfs/dbraw/zinc/08/07/35/951080735.db2.gz NMYONHOUBPZZST-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575024204 951096954 /nfs/dbraw/zinc/09/69/54/951096954.db2.gz XVSGIJHBMRTQJU-QMMMGPOBSA-N 0 1 375.414 0.528 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575024204 951096965 /nfs/dbraw/zinc/09/69/65/951096965.db2.gz XVSGIJHBMRTQJU-QMMMGPOBSA-N 0 1 375.414 0.528 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccncc1-c1nn[nH]n1 ZINC001575024444 951105531 /nfs/dbraw/zinc/10/55/31/951105531.db2.gz DWPFSCPOBJESSQ-NSHDSACASA-N 0 1 392.423 0.799 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024744 951116178 /nfs/dbraw/zinc/11/61/78/951116178.db2.gz LTHWSGGFXSFXRW-NSHDSACASA-N 0 1 380.412 0.382 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575026645 951144858 /nfs/dbraw/zinc/14/48/58/951144858.db2.gz LTGSTNNZMNCXGY-VIFPVBQESA-N 0 1 386.441 0.330 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C(N)=O)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575026645 951144868 /nfs/dbraw/zinc/14/48/68/951144868.db2.gz LTGSTNNZMNCXGY-VIFPVBQESA-N 0 1 386.441 0.330 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1COCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575027301 951154863 /nfs/dbraw/zinc/15/48/63/951154863.db2.gz DRCVZUYGRMMKBB-LBPRGKRZSA-N 0 1 379.424 0.987 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575028943 951179065 /nfs/dbraw/zinc/17/90/65/951179065.db2.gz PXFWYOFXGKPGTR-LBPRGKRZSA-N 0 1 379.424 0.987 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1OCCO2)Nc1ccncc1-c1nn[nH]n1 ZINC001575029729 951189220 /nfs/dbraw/zinc/18/92/20/951189220.db2.gz XATXEGWUYGSTFF-NSHDSACASA-N 0 1 381.396 0.685 20 0 GCADMN CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)[C@@H](C)C1 ZINC001591876841 951228904 /nfs/dbraw/zinc/22/89/04/951228904.db2.gz FNQVKVQTEQNRPX-HOCLYGCPSA-N 0 1 379.457 0.800 20 0 GCADMN C[C@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575035051 951265897 /nfs/dbraw/zinc/26/58/97/951265897.db2.gz TYACENASXZWPSZ-JTQLQIEISA-N 0 1 391.386 0.623 20 0 GCADMN C[C@@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575035053 951265924 /nfs/dbraw/zinc/26/59/24/951265924.db2.gz TYACENASXZWPSZ-SNVBAGLBSA-N 0 1 391.386 0.623 20 0 GCADMN C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575035521 951277710 /nfs/dbraw/zinc/27/77/10/951277710.db2.gz JVKKLXZRVBBDPP-SNVBAGLBSA-N 0 1 380.416 0.224 20 0 GCADMN C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575036643 951299369 /nfs/dbraw/zinc/29/93/69/951299369.db2.gz UWJWFWOOSQESSG-SNVBAGLBSA-N 0 1 380.416 0.579 20 0 GCADMN CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001602868480 971736625 /nfs/dbraw/zinc/73/66/25/971736625.db2.gz KVLJIHSVTUJZKF-ZFWWWQNUSA-N 0 1 380.489 0.966 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)c(=O)[nH]1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575041767 951349784 /nfs/dbraw/zinc/34/97/84/951349784.db2.gz BNQNRDXHHBXEAP-YFKPBYRVSA-N 0 1 383.825 0.646 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1ccccc1-c1nn[nH]n1 ZINC001575042394 951363800 /nfs/dbraw/zinc/36/38/00/951363800.db2.gz IWSAHKFBBDVTGB-ZDUSSCGKSA-N 0 1 381.440 0.816 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575043030 951379803 /nfs/dbraw/zinc/37/98/03/951379803.db2.gz NTPQJUCJEUVLSP-LURJTMIESA-N 0 1 382.841 0.583 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043238 951383648 /nfs/dbraw/zinc/38/36/48/951383648.db2.gz PGUDVLBZBQDSJV-JTQLQIEISA-N 0 1 383.420 0.228 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043642 951398509 /nfs/dbraw/zinc/39/85/09/951398509.db2.gz LEBBASHURWVYOF-VIFPVBQESA-N 0 1 375.824 0.903 20 0 GCADMN C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043641 951400248 /nfs/dbraw/zinc/40/02/48/951400248.db2.gz LEBBASHURWVYOF-SECBINFHSA-N 0 1 375.824 0.903 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001575044256 951411689 /nfs/dbraw/zinc/41/16/89/951411689.db2.gz QOXAKKYLSJYMIQ-YGRLFVJLSA-N 0 1 383.416 0.489 20 0 GCADMN C[C@@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575044809 951418927 /nfs/dbraw/zinc/41/89/27/951418927.db2.gz VLEDULDPMGBWTG-YFKPBYRVSA-N 0 1 381.809 0.703 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575044875 951420274 /nfs/dbraw/zinc/42/02/74/951420274.db2.gz WJCGRIOZYPEALP-JTQLQIEISA-N 0 1 382.432 0.397 20 0 GCADMN C[C@@H](CNC(=O)c1cncn1-c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575046606 951443524 /nfs/dbraw/zinc/44/35/24/951443524.db2.gz PYQWGCJNBMHQAT-LBPRGKRZSA-N 0 1 390.411 0.495 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575053649 951480553 /nfs/dbraw/zinc/48/05/53/951480553.db2.gz SSPAAYCBQCBESI-MRVPVSSYSA-N 0 1 376.812 0.298 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575054216 951489260 /nfs/dbraw/zinc/48/92/60/951489260.db2.gz XOQIRKDBCWFFNQ-QMMMGPOBSA-N 0 1 392.374 0.583 20 0 GCADMN C[C@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575058014 951532894 /nfs/dbraw/zinc/53/28/94/951532894.db2.gz UBPFNVNDNLEHHY-JTQLQIEISA-N 0 1 383.416 0.497 20 0 GCADMN C[C@H](CNC(=O)c1csc(Cl)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575058076 951535793 /nfs/dbraw/zinc/53/57/93/951535793.db2.gz ULVSJQIFKHRQMU-ZETCQYMHSA-N 0 1 379.837 0.667 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001575060746 951547057 /nfs/dbraw/zinc/54/70/57/951547057.db2.gz FNAKAZBJKZUGIW-JTQLQIEISA-N 0 1 391.395 0.563 20 0 GCADMN C[C@H](CNC(=O)c1nc(Cl)cs1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575060805 951549603 /nfs/dbraw/zinc/54/96/03/951549603.db2.gz GUTQOKCJLHZSQX-ZETCQYMHSA-N 0 1 379.837 0.667 20 0 GCADMN C[C@@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575065277 951582722 /nfs/dbraw/zinc/58/27/22/951582722.db2.gz BDXTZUVZIOWODW-LLVKDONJSA-N 0 1 382.432 0.089 20 0 GCADMN C[C@@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001575065454 951586434 /nfs/dbraw/zinc/58/64/34/951586434.db2.gz HITFWASEYDQZRJ-GWCFXTLKSA-N 0 1 384.400 0.754 20 0 GCADMN C[C@H](CNC(=O)c1ncn(C)n1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575067102 951602359 /nfs/dbraw/zinc/60/23/59/951602359.db2.gz IBBUJZZCXWSEDX-ZCFIWIBFSA-N 0 1 382.841 0.360 20 0 GCADMN C[C@@H](CNC(=O)c1onc2c1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575069469 951643782 /nfs/dbraw/zinc/64/37/82/951643782.db2.gz JICACOZAMMZBNC-JTQLQIEISA-N 0 1 383.416 0.778 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1=O ZINC001595082952 951704417 /nfs/dbraw/zinc/70/44/17/951704417.db2.gz IDLWSLYLUKJXKI-ROUUACIJSA-N 0 1 387.480 0.990 20 0 GCADMN O=C([O-])CN1CCC[C@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001595083245 951708678 /nfs/dbraw/zinc/70/86/78/951708678.db2.gz JXLQPWUBYPXKST-OXQOHEQNSA-N 0 1 389.452 0.063 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575088672 951741608 /nfs/dbraw/zinc/74/16/08/951741608.db2.gz AFGRZMKYHOLOPB-AAEUAGOBSA-N 0 1 389.435 0.469 20 0 GCADMN O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1=O ZINC001595089898 951762794 /nfs/dbraw/zinc/76/27/94/951762794.db2.gz COSQHZBSUFBJPZ-JKSUJKDBSA-N 0 1 380.489 0.873 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575090707 951763919 /nfs/dbraw/zinc/76/39/19/951763919.db2.gz NLLUCEXKEZZWQO-WFASDCNBSA-N 0 1 392.435 0.748 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1nccnc1N ZINC001575091114 951770746 /nfs/dbraw/zinc/77/07/46/951770746.db2.gz PENJGWFAAIXXLI-SNVBAGLBSA-N 0 1 385.407 0.628 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575091551 951777733 /nfs/dbraw/zinc/77/77/33/951777733.db2.gz UZONKZFZRFEECJ-NEPJUHHUSA-N 0 1 387.423 0.795 20 0 GCADMN C[C@H](CNC(=O)C(=O)NCC1CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098114 951819166 /nfs/dbraw/zinc/81/91/66/951819166.db2.gz AXEJIBJTFXCVJB-JTQLQIEISA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)C(=O)NCC1CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098114 951819172 /nfs/dbraw/zinc/81/91/72/951819172.db2.gz AXEJIBJTFXCVJB-JTQLQIEISA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098476 951823343 /nfs/dbraw/zinc/82/33/43/951823343.db2.gz DMOHEQYRULAVKP-YPMHNXCESA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098476 951823348 /nfs/dbraw/zinc/82/33/48/951823348.db2.gz DMOHEQYRULAVKP-YPMHNXCESA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098689 951825232 /nfs/dbraw/zinc/82/52/32/951825232.db2.gz FDFAMACOPIMLLQ-WDEREUQCSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098689 951825237 /nfs/dbraw/zinc/82/52/37/951825237.db2.gz FDFAMACOPIMLLQ-WDEREUQCSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN1CCCC1=O ZINC001575098683 951826290 /nfs/dbraw/zinc/82/62/90/951826290.db2.gz FCFSOJKRUWWXNP-NSHDSACASA-N 0 1 377.474 0.487 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN1CCCC1=O ZINC001575098683 951826293 /nfs/dbraw/zinc/82/62/93/951826293.db2.gz FCFSOJKRUWWXNP-NSHDSACASA-N 0 1 377.474 0.487 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099235 951829170 /nfs/dbraw/zinc/82/91/70/951829170.db2.gz JEFJTHCPVJYVDV-VIFPVBQESA-N 0 1 376.446 0.523 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099235 951829179 /nfs/dbraw/zinc/82/91/79/951829179.db2.gz JEFJTHCPVJYVDV-VIFPVBQESA-N 0 1 376.446 0.523 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575099222 951829459 /nfs/dbraw/zinc/82/94/59/951829459.db2.gz IWFIZMSTEAMWCO-JTQLQIEISA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575099222 951829468 /nfs/dbraw/zinc/82/94/68/951829468.db2.gz IWFIZMSTEAMWCO-JTQLQIEISA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575099224 951829549 /nfs/dbraw/zinc/82/95/49/951829549.db2.gz IWFIZMSTEAMWCO-SNVBAGLBSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CNC(=O)C1CC1 ZINC001575099224 951829553 /nfs/dbraw/zinc/82/95/53/951829553.db2.gz IWFIZMSTEAMWCO-SNVBAGLBSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575099299 951832242 /nfs/dbraw/zinc/83/22/42/951832242.db2.gz JRWJPXFRYGCJJM-GHMZBOCLSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575099299 951832245 /nfs/dbraw/zinc/83/22/45/951832245.db2.gz JRWJPXFRYGCJJM-GHMZBOCLSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575099428 951834482 /nfs/dbraw/zinc/83/44/82/951834482.db2.gz LSLCMECMVSBICW-RYUDHWBXSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCCC(=O)N1 ZINC001575099428 951834493 /nfs/dbraw/zinc/83/44/93/951834493.db2.gz LSLCMECMVSBICW-RYUDHWBXSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCN1CCCC1=O ZINC001575099398 951835307 /nfs/dbraw/zinc/83/53/07/951835307.db2.gz LHWHNWYRNNFWHP-GFCCVEGCSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCN1CCCC1=O ZINC001575099398 951835312 /nfs/dbraw/zinc/83/53/12/951835312.db2.gz LHWHNWYRNNFWHP-GFCCVEGCSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001575099928 951841394 /nfs/dbraw/zinc/84/13/94/951841394.db2.gz QFDIXSGPQQUFPU-WDEREUQCSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001575099928 951841397 /nfs/dbraw/zinc/84/13/97/951841397.db2.gz QFDIXSGPQQUFPU-WDEREUQCSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cncn1 ZINC001575100226 951844949 /nfs/dbraw/zinc/84/49/49/951844949.db2.gz SECNWCLQFSGKKX-GHMZBOCLSA-N 0 1 375.462 0.623 20 0 GCADMN C[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cncn1 ZINC001575100226 951844958 /nfs/dbraw/zinc/84/49/58/951844958.db2.gz SECNWCLQFSGKKX-GHMZBOCLSA-N 0 1 375.462 0.623 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100951 951852567 /nfs/dbraw/zinc/85/25/67/951852567.db2.gz XHKWMNNREQVWQT-WDEREUQCSA-N 0 1 377.474 0.248 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100951 951852573 /nfs/dbraw/zinc/85/25/73/951852573.db2.gz XHKWMNNREQVWQT-WDEREUQCSA-N 0 1 377.474 0.248 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN1CCCNC1=O ZINC001575101128 951853348 /nfs/dbraw/zinc/85/33/48/951853348.db2.gz ZWZPZAIDRRWBAQ-NSHDSACASA-N 0 1 392.489 0.280 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN1CCCNC1=O ZINC001575101128 951853359 /nfs/dbraw/zinc/85/33/59/951853359.db2.gz ZWZPZAIDRRWBAQ-NSHDSACASA-N 0 1 392.489 0.280 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101088 951853529 /nfs/dbraw/zinc/85/35/29/951853529.db2.gz ZGHKFEWPBPOSNA-NWDGAFQWSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101088 951853533 /nfs/dbraw/zinc/85/35/33/951853533.db2.gz ZGHKFEWPBPOSNA-NWDGAFQWSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101117 951854202 /nfs/dbraw/zinc/85/42/02/951854202.db2.gz ZROLGCWWFYRNKV-NEPJUHHUSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101117 951854207 /nfs/dbraw/zinc/85/42/07/951854207.db2.gz ZROLGCWWFYRNKV-NEPJUHHUSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575102729 951871577 /nfs/dbraw/zinc/87/15/77/951871577.db2.gz POLNHMDNBUKYDI-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575102729 951871582 /nfs/dbraw/zinc/87/15/82/951871582.db2.gz POLNHMDNBUKYDI-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575102730 951871592 /nfs/dbraw/zinc/87/15/92/951871592.db2.gz POLNHMDNBUKYDI-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(C(N)=O)[nH]1 ZINC001575102730 951871597 /nfs/dbraw/zinc/87/15/97/951871597.db2.gz POLNHMDNBUKYDI-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@](CNc1ccc(-c2nn[nH]n2)nc1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575124838 952035996 /nfs/dbraw/zinc/03/59/96/952035996.db2.gz LOJCGZDRBAISGC-QGZVFWFLSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575136322 952124286 /nfs/dbraw/zinc/12/42/86/952124286.db2.gz UUBPPMYDEIHORI-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575136322 952124290 /nfs/dbraw/zinc/12/42/90/952124290.db2.gz UUBPPMYDEIHORI-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575136827 952129274 /nfs/dbraw/zinc/12/92/74/952129274.db2.gz PXSTVWWSCJYOGU-LPSAFJIBSA-N 0 1 386.460 0.327 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC001575139711 952140713 /nfs/dbraw/zinc/14/07/13/952140713.db2.gz BCUBMTUXMRZBGO-QQDQCYIDSA-N 0 1 390.451 0.923 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575141562 952145555 /nfs/dbraw/zinc/14/55/55/952145555.db2.gz IEGAOIYGXAMSGC-QGZVFWFLSA-N 0 1 383.391 0.623 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575143135 952150286 /nfs/dbraw/zinc/15/02/86/952150286.db2.gz NWEXQAUNLQJQPR-ACJLOTCBSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncc(F)cc1F ZINC001575143439 952153540 /nfs/dbraw/zinc/15/35/40/952153540.db2.gz AJVSNBIWWLVPOG-QMMMGPOBSA-N 0 1 375.343 0.324 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2n(c1)CCCC2 ZINC001575144195 952162634 /nfs/dbraw/zinc/16/26/34/952162634.db2.gz GYNYTXHTKQYJQV-GFCCVEGCSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575144672 952169281 /nfs/dbraw/zinc/16/92/81/952169281.db2.gz KFOPARNHJNPKBC-VIFPVBQESA-N 0 1 389.370 0.984 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCn1cccc1)C1CC1 ZINC001575144756 952170856 /nfs/dbraw/zinc/17/08/56/952170856.db2.gz XWAWNRJXLPNHQL-GOSISDBHSA-N 0 1 381.444 0.667 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575145072 952176599 /nfs/dbraw/zinc/17/65/99/952176599.db2.gz PCQHHJFNEIUNEG-VXGBXAGGSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC001575145070 952177629 /nfs/dbraw/zinc/17/76/29/952177629.db2.gz PCQHHJFNEIUNEG-NWDGAFQWSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575145181 952179672 /nfs/dbraw/zinc/17/96/72/952179672.db2.gz RVSBNKQVTNGQDS-RYUDHWBXSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145274 952181578 /nfs/dbraw/zinc/18/15/78/952181578.db2.gz UVZHCYYHLKEOMD-NSHDSACASA-N 0 1 380.412 0.586 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2c(c1)CCO2 ZINC001575145273 952181665 /nfs/dbraw/zinc/18/16/65/952181665.db2.gz UVZHCYYHLKEOMD-LLVKDONJSA-N 0 1 380.412 0.586 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn2c1CCCC2 ZINC001575145390 952183067 /nfs/dbraw/zinc/18/30/67/952183067.db2.gz WXYZBHWXENFMHW-NSHDSACASA-N 0 1 382.432 0.184 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575145370 952183759 /nfs/dbraw/zinc/18/37/59/952183759.db2.gz WOUUNZGAGAMQLR-SNVBAGLBSA-N 0 1 382.432 0.262 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c[nH]nc1C(C)(C)C ZINC001575145464 952184985 /nfs/dbraw/zinc/18/49/85/952184985.db2.gz YBNYHLJWZHMAFL-SNVBAGLBSA-N 0 1 384.448 0.672 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575145650 952188317 /nfs/dbraw/zinc/18/83/17/952188317.db2.gz CACNLKCAKUYJGY-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cc1cn2ccccc2n1 ZINC001575146263 952192891 /nfs/dbraw/zinc/19/28/91/952192891.db2.gz JLOOMTNWHVDZCG-ZDUSSCGKSA-N 0 1 391.439 0.833 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575146432 952194541 /nfs/dbraw/zinc/19/45/41/952194541.db2.gz KUSBOWQMQIWTHG-SGTLLEGYSA-N 0 1 386.460 0.391 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cn(C)nc1Cl ZINC001575146438 952194673 /nfs/dbraw/zinc/19/46/73/952194673.db2.gz LANRPDZODFYHMK-SECBINFHSA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCOC[C@@H]1CCCO1 ZINC001575146590 952195382 /nfs/dbraw/zinc/19/53/82/952195382.db2.gz LWPGNVKYEURTHY-KBPBESRZSA-N 0 1 389.460 0.528 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575146669 952196988 /nfs/dbraw/zinc/19/69/88/952196988.db2.gz NGSSMQRXHPQFGI-LBPRGKRZSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575147100 952198224 /nfs/dbraw/zinc/19/82/24/952198224.db2.gz PYVSJHAHBBZPAB-GFCCVEGCSA-N 0 1 382.428 0.676 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575147406 952200187 /nfs/dbraw/zinc/20/01/87/952200187.db2.gz SLYOMGCNLVLNHU-JHJVBQTASA-N 0 1 381.444 0.480 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575147920 952202625 /nfs/dbraw/zinc/20/26/25/952202625.db2.gz WXZNZZOQRCGLTQ-LLVKDONJSA-N 0 1 381.444 0.867 20 0 GCADMN C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575155141 952234348 /nfs/dbraw/zinc/23/43/48/952234348.db2.gz WPOIYJACAIMQCB-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575155141 952234353 /nfs/dbraw/zinc/23/43/53/952234353.db2.gz WPOIYJACAIMQCB-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)CCCC(N)=O ZINC001575165374 952308537 /nfs/dbraw/zinc/30/85/37/952308537.db2.gz OBWYFKLYMFJYPW-SSDOTTSWSA-N 0 1 386.869 0.891 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575165901 952316761 /nfs/dbraw/zinc/31/67/61/952316761.db2.gz RARZXKHXDMYQQO-RITPCOANSA-N 0 1 387.857 0.292 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575166786 952330654 /nfs/dbraw/zinc/33/06/54/952330654.db2.gz ZDEPPULRXACGDP-RNFRBKRXSA-N 0 1 384.853 0.514 20 0 GCADMN CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001602902795 971828002 /nfs/dbraw/zinc/82/80/02/971828002.db2.gz HQGUKOBQTYKGTM-UHFFFAOYSA-N 0 1 381.433 0.827 20 0 GCADMN C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575179618 952413258 /nfs/dbraw/zinc/41/32/58/952413258.db2.gz QHSLBYWRMIFGFA-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575179618 952413264 /nfs/dbraw/zinc/41/32/64/952413264.db2.gz QHSLBYWRMIFGFA-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1c[nH]nc1-c1nn[nH]n1 ZINC001575184924 952425631 /nfs/dbraw/zinc/42/56/31/952425631.db2.gz HLXQWBRWLGULQF-QMMMGPOBSA-N 0 1 379.377 0.777 20 0 GCADMN C[C@@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001575188614 952449669 /nfs/dbraw/zinc/44/96/69/952449669.db2.gz KDENXTFDZGXPLJ-ZDUSSCGKSA-N 0 1 385.428 0.388 20 0 GCADMN CCO[C@@H]1COC[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001571115210 952464421 /nfs/dbraw/zinc/46/44/21/952464421.db2.gz RYOCWUQZQYXOPL-GHMZBOCLSA-N 0 1 375.357 0.227 20 0 GCADMN C[C@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575191088 952466652 /nfs/dbraw/zinc/46/66/52/952466652.db2.gz WZNWUKOSDKLJIW-GFCCVEGCSA-N 0 1 384.419 0.967 20 0 GCADMN C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575195425 952471451 /nfs/dbraw/zinc/47/14/51/952471451.db2.gz AYRCGXZDUBJTBE-NWDGAFQWSA-N 0 1 390.469 0.967 20 0 GCADMN C[C@@H](Cc1ccco1)C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575195425 952471456 /nfs/dbraw/zinc/47/14/56/952471456.db2.gz AYRCGXZDUBJTBE-NWDGAFQWSA-N 0 1 390.469 0.967 20 0 GCADMN O=C(NC[C@H]1CN(CC[C@@H]2CCOC2)CCO1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571116900 952478019 /nfs/dbraw/zinc/47/80/19/952478019.db2.gz FNVVJQZZZJPOLJ-OCCSQVGLSA-N 0 1 375.433 0.052 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001575197206 952480828 /nfs/dbraw/zinc/48/08/28/952480828.db2.gz QBNZWDQHBZUEFD-XWIAVFTESA-N 0 1 396.451 1.000 20 0 GCADMN C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117998 952485977 /nfs/dbraw/zinc/48/59/77/952485977.db2.gz RSOZATFKDIJHSX-OHUAYANFSA-N 0 1 375.458 0.130 20 0 GCADMN C[C@@]1(NC(=O)[C@H]2C[C@H]2C(N)=O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117998 952485980 /nfs/dbraw/zinc/48/59/80/952485980.db2.gz RSOZATFKDIJHSX-OHUAYANFSA-N 0 1 375.458 0.130 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575199306 952488172 /nfs/dbraw/zinc/48/81/72/952488172.db2.gz CCDKSTKZZQPDAJ-OLZOCXBDSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CN(c2cnc(-c3nn[nH]n3)cn2)C[C@H]1C ZINC001575199688 952489929 /nfs/dbraw/zinc/48/99/29/952489929.db2.gz DVTXAKGMXMCEGP-JTNHKYCSSA-N 0 1 382.432 0.200 20 0 GCADMN O=C(N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1(F)CCOCC1 ZINC001571119580 952492848 /nfs/dbraw/zinc/49/28/48/952492848.db2.gz CZIIEAJTCAHHRZ-UHFFFAOYSA-N 0 1 376.396 0.000 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001575200254 952493951 /nfs/dbraw/zinc/49/39/51/952493951.db2.gz BLPDKVKDMKYVFF-RISCZKNCSA-N 0 1 385.432 0.095 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCN(c1ccc(-c2nn[nH]n2)cn1)C1CC1 ZINC001575200418 952495382 /nfs/dbraw/zinc/49/53/82/952495382.db2.gz JEXKKYWHSJBBCJ-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575200461 952495438 /nfs/dbraw/zinc/49/54/38/952495438.db2.gz JSOQNAHUDIXKBE-WCQYABFASA-N 0 1 384.448 0.811 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575201040 952501316 /nfs/dbraw/zinc/50/13/16/952501316.db2.gz GMXSVGHFZNGFGR-LLVKDONJSA-N 0 1 385.432 0.327 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001575201183 952502718 /nfs/dbraw/zinc/50/27/18/952502718.db2.gz HLHAZCOQUOALAV-WCQYABFASA-N 0 1 382.432 0.662 20 0 GCADMN C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575201440 952503415 /nfs/dbraw/zinc/50/34/15/952503415.db2.gz PIACQBMEHATDJU-CYBMUJFWSA-N 0 1 383.460 0.769 20 0 GCADMN C[C@@H](Cc1cnn(C)c1)C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575201443 952504107 /nfs/dbraw/zinc/50/41/07/952504107.db2.gz PIACQBMEHATDJU-ZDUSSCGKSA-N 0 1 383.460 0.769 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001575201559 952505175 /nfs/dbraw/zinc/50/51/75/952505175.db2.gz IRNASZZDGZSLGV-NEPJUHHUSA-N 0 1 382.432 0.662 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001575201565 952506051 /nfs/dbraw/zinc/50/60/51/952506051.db2.gz IRNASZZDGZSLGV-RYUDHWBXSA-N 0 1 382.432 0.662 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@]1(C)CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001575201638 952506970 /nfs/dbraw/zinc/50/69/70/952506970.db2.gz JHTLPGGGXSVVTJ-APPDUMDISA-N 0 1 382.432 0.344 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1CCN(c2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001575201833 952508282 /nfs/dbraw/zinc/50/82/82/952508282.db2.gz RAWCSDRTHKJLGZ-LLVKDONJSA-N 0 1 382.432 0.344 20 0 GCADMN C[C@H](Cc1cnn(C)c1)C(=O)N(C)CCCNc1ccncc1-c1nn[nH]n1 ZINC001575201939 952509063 /nfs/dbraw/zinc/50/90/63/952509063.db2.gz SHQPZRNMCWQHCZ-CYBMUJFWSA-N 0 1 383.460 0.556 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)CCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575202024 952510424 /nfs/dbraw/zinc/51/04/24/952510424.db2.gz MGHDFRAJQKLYDK-LLVKDONJSA-N 0 1 385.432 0.327 20 0 GCADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cc(Cl)no1 ZINC001571120955 952511915 /nfs/dbraw/zinc/51/19/15/952511915.db2.gz SGGUZMHIGACETQ-YUMQZZPRSA-N 0 1 375.780 0.435 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001575202788 952515585 /nfs/dbraw/zinc/51/55/85/952515585.db2.gz YGNMSLVQNSKZOJ-NSHDSACASA-N 0 1 382.432 0.344 20 0 GCADMN O=C(N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C1(c2cccnc2)CC1 ZINC001571121372 952520944 /nfs/dbraw/zinc/52/09/44/952520944.db2.gz ZUBFBPGCJFLTJF-CQSZACIVSA-N 0 1 376.424 0.823 20 0 GCADMN Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571121726 952522187 /nfs/dbraw/zinc/52/21/87/952522187.db2.gz CIFMLMPMLDEYIO-SDDRHHMPSA-N 0 1 376.490 0.890 20 0 GCADMN Cc1nsc(N[C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1-c1nn[n-]n1 ZINC001571121726 952522194 /nfs/dbraw/zinc/52/21/94/952522194.db2.gz CIFMLMPMLDEYIO-SDDRHHMPSA-N 0 1 376.490 0.890 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H]1CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575203413 952522887 /nfs/dbraw/zinc/52/28/87/952522887.db2.gz WHMLAIKXRGTVPU-GXFFZTMASA-N 0 1 383.416 0.127 20 0 GCADMN Cc1nsc(NC[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC001571123130 952529523 /nfs/dbraw/zinc/52/95/23/952529523.db2.gz PUZDGRFOWOQIDY-LBPRGKRZSA-N 0 1 376.490 0.988 20 0 GCADMN O=C(c1cccnn1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001571124077 952533648 /nfs/dbraw/zinc/53/36/48/952533648.db2.gz YRBIIGLTKRTDQD-IYBDPMFKSA-N 0 1 376.424 0.861 20 0 GCADMN O=C(c1ccncn1)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571126977 952547873 /nfs/dbraw/zinc/54/78/73/952547873.db2.gz AZUCTDOCYIPCAC-SFHVURJKSA-N 0 1 377.412 0.794 20 0 GCADMN O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2)c1ccccn1 ZINC001571126966 952547919 /nfs/dbraw/zinc/54/79/19/952547919.db2.gz AVGBCJICCZAOKQ-AVGNSLFASA-N 0 1 377.412 0.839 20 0 GCADMN Cc1cccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001571127016 952549381 /nfs/dbraw/zinc/54/93/81/952549381.db2.gz CODGHPKXTZMTHB-XBFCOCLRSA-N 0 1 377.412 0.900 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cnn2c1CCC2 ZINC001571127122 952550329 /nfs/dbraw/zinc/55/03/29/952550329.db2.gz GPSOCSJPQHSQPP-VIKVFOODSA-N 0 1 377.412 0.269 20 0 GCADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCc2cccnc21 ZINC001571127283 952552724 /nfs/dbraw/zinc/55/27/24/952552724.db2.gz ILAXEOQWNMHOKN-STQMWFEESA-N 0 1 377.412 0.477 20 0 GCADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCc2cccnc21 ZINC001571127281 952552915 /nfs/dbraw/zinc/55/29/15/952552915.db2.gz ILAXEOQWNMHOKN-QWHCGFSZSA-N 0 1 377.412 0.477 20 0 GCADMN C[C@H](F)CCN1CCO[C@@]2(CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001571127511 952556530 /nfs/dbraw/zinc/55/65/30/952556530.db2.gz LJMDCQWSYQSBBR-SJCJKPOMSA-N 0 1 377.424 0.860 20 0 GCADMN O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571128150 952565173 /nfs/dbraw/zinc/56/51/73/952565173.db2.gz PBDCQTGPQLXZMO-UONOGXRCSA-N 0 1 377.412 0.793 20 0 GCADMN CC[C@@H](SC)C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571128935 952572135 /nfs/dbraw/zinc/57/21/35/952572135.db2.gz ZCNDMEKVPIKWRL-BXUZGUMPSA-N 0 1 377.474 0.465 20 0 GCADMN CC1(C)CN(C(=O)C2(C(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571129660 952576208 /nfs/dbraw/zinc/57/62/08/952576208.db2.gz HCLFRJHBXXYQLY-VIFPVBQESA-N 0 1 378.387 0.773 20 0 GCADMN O=C(N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C1CC(F)(F)C1 ZINC001571130234 952579472 /nfs/dbraw/zinc/57/94/72/952579472.db2.gz QKOBIQFVIYQQDW-KGLIPLIRSA-N 0 1 378.383 0.573 20 0 GCADMN O=C(N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCC1(F)F ZINC001571130527 952580627 /nfs/dbraw/zinc/58/06/27/952580627.db2.gz SJTNCRVKWLTWHC-GMTAPVOTSA-N 0 1 378.387 0.963 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC001571130697 952581408 /nfs/dbraw/zinc/58/14/08/952581408.db2.gz UQTUWKCOOUUGCA-MWLCHTKSSA-N 0 1 378.387 0.773 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC001571130698 952581785 /nfs/dbraw/zinc/58/17/85/952581785.db2.gz UQTUWKCOOUUGCA-ONGXEEELSA-N 0 1 378.387 0.773 20 0 GCADMN Cc1ccc(C)c(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571134095 952585657 /nfs/dbraw/zinc/58/56/57/952585657.db2.gz DOAXBCGJYOBROQ-HNNXBMFYSA-N 0 1 378.440 0.951 20 0 GCADMN CCOC(=O)[C@](C)(CNC(=O)[C@@H](C)n1cnc(-c2nn[nH]n2)n1)CC(C)C ZINC001571134739 952594740 /nfs/dbraw/zinc/59/47/40/952594740.db2.gz KVBLRJZFOAMNPP-BZNIZROVSA-N 0 1 378.437 0.751 20 0 GCADMN O=C(c1cccnn1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571135812 952609217 /nfs/dbraw/zinc/60/92/17/952609217.db2.gz FGLRFQRLCNFHMP-NEPJUHHUSA-N 0 1 378.400 0.330 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1c[nH]nc1C1CC1 ZINC001571135906 952610304 /nfs/dbraw/zinc/61/03/04/952610304.db2.gz HNKXKZZGIXAJTA-YABSGUDNSA-N 0 1 378.400 0.122 20 0 GCADMN O=C(CNC1(c2ccc(-c3nn[nH]n3)cc2)CCOCC1)Nc1ccncc1 ZINC001571141737 952635789 /nfs/dbraw/zinc/63/57/89/952635789.db2.gz LZLUMLNJIWFUCS-UHFFFAOYSA-N 0 1 379.424 0.918 20 0 GCADMN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1COCCO1 ZINC001571142294 952640331 /nfs/dbraw/zinc/64/03/31/952640331.db2.gz OLPCWDXQOJUTOM-GVXVVHGQSA-N 0 1 378.458 0.328 20 0 GCADMN O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1COCCO1 ZINC001571142294 952640335 /nfs/dbraw/zinc/64/03/35/952640335.db2.gz OLPCWDXQOJUTOM-GVXVVHGQSA-N 0 1 378.458 0.328 20 0 GCADMN COc1ccc(CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571142400 952640797 /nfs/dbraw/zinc/64/07/97/952640797.db2.gz UHAIJCAKXNHUGQ-AWEZNQCLSA-N 0 1 379.424 0.948 20 0 GCADMN Cc1ncc(CN2C[C@@H]3CN(C(=O)c4cc(-c5nn[nH]n5)c[nH]4)C[C@@H]3C2)cn1 ZINC001571146127 952647789 /nfs/dbraw/zinc/64/77/89/952647789.db2.gz DECULELRMXOFEF-GASCZTMLSA-N 0 1 379.428 0.497 20 0 GCADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cnc2n1CCC2 ZINC001571146369 952648592 /nfs/dbraw/zinc/64/85/92/952648592.db2.gz GYBSVIYTDPMNAH-UHFFFAOYSA-N 0 1 379.428 0.447 20 0 GCADMN CCc1cccc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571146948 952655275 /nfs/dbraw/zinc/65/52/75/952655275.db2.gz DLSCWCVTKPKCOF-SMDDNHRTSA-N 0 1 379.428 0.609 20 0 GCADMN O=C(NC[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001571147304 952660061 /nfs/dbraw/zinc/66/00/61/952660061.db2.gz WXUAVLXWELUKGZ-MRVWCRGKSA-N 0 1 379.428 0.731 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCCN1C(=O)c1ncccn1 ZINC001571148005 952664567 /nfs/dbraw/zinc/66/45/67/952664567.db2.gz SZHXVNSYXOEFJJ-IUODEOHRSA-N 0 1 379.428 0.969 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCCN1C(=O)c1ncccn1 ZINC001571148004 952664749 /nfs/dbraw/zinc/66/47/49/952664749.db2.gz SZHXVNSYXOEFJJ-DOMZBBRYSA-N 0 1 379.428 0.969 20 0 GCADMN C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001571148038 952665298 /nfs/dbraw/zinc/66/52/98/952665298.db2.gz TZUSJARNFOFRKA-SNVBAGLBSA-N 0 1 379.425 0.373 20 0 GCADMN C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001571148038 952665299 /nfs/dbraw/zinc/66/52/99/952665299.db2.gz TZUSJARNFOFRKA-SNVBAGLBSA-N 0 1 379.425 0.373 20 0 GCADMN CCc1ccc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1 ZINC001571148268 952666571 /nfs/dbraw/zinc/66/65/71/952666571.db2.gz XLPHJYCURAROIP-AWEZNQCLSA-N 0 1 379.428 0.292 20 0 GCADMN O=C(c1ccnn1C1CCC1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571151090 952672681 /nfs/dbraw/zinc/67/26/81/952672681.db2.gz LDHKXKOAUIAMBM-GFCCVEGCSA-N 0 1 379.428 0.932 20 0 GCADMN O=C(c1cn2c(n1)CCC2)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571151606 952675604 /nfs/dbraw/zinc/67/56/04/952675604.db2.gz RRQKYQQMURUKDR-GFCCVEGCSA-N 0 1 379.428 0.401 20 0 GCADMN C[C@@H](C(=O)Nc1cccc(F)c1S(C)(=O)=O)n1cnc(-c2nn[nH]n2)n1 ZINC001571153572 952686259 /nfs/dbraw/zinc/68/62/59/952686259.db2.gz QWVIWUFINHMVAP-ZETCQYMHSA-N 0 1 380.365 0.201 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571155005 952691254 /nfs/dbraw/zinc/69/12/54/952691254.db2.gz DPXNRDABXNTBAE-CHWSQXEVSA-N 0 1 380.412 0.559 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571155008 952691744 /nfs/dbraw/zinc/69/17/44/952691744.db2.gz DPXNRDABXNTBAE-STQMWFEESA-N 0 1 380.412 0.559 20 0 GCADMN Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c(F)c1 ZINC001571155194 952693924 /nfs/dbraw/zinc/69/39/24/952693924.db2.gz KLVZYRNMVGPCNK-JYAVWHMHSA-N 0 1 380.387 0.969 20 0 GCADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3c[nH]nc3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571155999 952699914 /nfs/dbraw/zinc/69/99/14/952699914.db2.gz AMRVMKIJVKENGK-HAQNSBGRSA-N 0 1 379.428 0.965 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cncnc3C)[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156718 952703388 /nfs/dbraw/zinc/70/33/88/952703388.db2.gz HQTHCELLYZEARS-IUODEOHRSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cnc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1C ZINC001571156703 952703527 /nfs/dbraw/zinc/70/35/27/952703527.db2.gz HIFIOFYTUQOGEF-CYBMUJFWSA-N 0 1 379.428 0.665 20 0 GCADMN Cc1cc(N2C[C@@H]3[C@@H](CNC(=O)c4ccnn4C)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156788 952704520 /nfs/dbraw/zinc/70/45/20/952704520.db2.gz JNWKWGCVPXTLSG-DEZZGGKRSA-N 0 1 379.428 0.416 20 0 GCADMN Cc1ccc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C(C)(C)C2)nn1 ZINC001571156755 952704916 /nfs/dbraw/zinc/70/49/16/952704916.db2.gz IUPMCKHSIXCDDS-OAHLLOKOSA-N 0 1 379.428 0.745 20 0 GCADMN Cc1cc[nH]c1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001571156818 952705442 /nfs/dbraw/zinc/70/54/42/952705442.db2.gz KOBQBKXFUXADSD-XIKOKIGWSA-N 0 1 379.428 0.892 20 0 GCADMN Cc1ccncc1CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571157187 952706924 /nfs/dbraw/zinc/70/69/24/952706924.db2.gz NFZDDEACNRHLSF-ZDUSSCGKSA-N 0 1 379.428 0.285 20 0 GCADMN Cc1ccncc1CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571157183 952707237 /nfs/dbraw/zinc/70/72/37/952707237.db2.gz NFZDDEACNRHLSF-CYBMUJFWSA-N 0 1 379.428 0.285 20 0 GCADMN Cc1cc(=O)c(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)c[nH]1 ZINC001571157897 952708171 /nfs/dbraw/zinc/70/81/71/952708171.db2.gz BXIMAHDHSVFTQT-GFCCVEGCSA-N 0 1 380.412 0.397 20 0 GCADMN Cc1ccc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571158132 952709796 /nfs/dbraw/zinc/70/97/96/952709796.db2.gz RUCRJLWHLZDTBE-SFHVURJKSA-N 0 1 379.428 0.746 20 0 GCADMN COc1ccc(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001571158204 952710081 /nfs/dbraw/zinc/71/00/81/952710081.db2.gz DSWSPPPQINQPRP-ZDUSSCGKSA-N 0 1 380.412 0.804 20 0 GCADMN COc1ncccc1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571158279 952711249 /nfs/dbraw/zinc/71/12/49/952711249.db2.gz GEOOSGVJROSMRE-TXEJJXNPSA-N 0 1 380.412 0.769 20 0 GCADMN COc1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)cc1 ZINC001571158518 952712153 /nfs/dbraw/zinc/71/21/53/952712153.db2.gz KGCMMCRFPXMCFP-SMDDNHRTSA-N 0 1 380.412 0.802 20 0 GCADMN COc1ccnc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC001571158704 952713362 /nfs/dbraw/zinc/71/33/62/952713362.db2.gz MVTXAWWEQTVLKB-RYUDHWBXSA-N 0 1 380.412 0.802 20 0 GCADMN COc1ccnc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)c1 ZINC001571158702 952713559 /nfs/dbraw/zinc/71/35/59/952713559.db2.gz MVTXAWWEQTVLKB-NEPJUHHUSA-N 0 1 380.412 0.802 20 0 GCADMN Cc1ccc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)cc1C ZINC001571158711 952713823 /nfs/dbraw/zinc/71/38/23/952713823.db2.gz NEENLCVSMLSWAL-ZIAGYGMSSA-N 0 1 380.412 0.253 20 0 GCADMN Cc1ccnc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C(C)(C)C2)n1 ZINC001571158914 952715448 /nfs/dbraw/zinc/71/54/48/952715448.db2.gz UFAYGUYDODHENF-AWEZNQCLSA-N 0 1 379.428 0.745 20 0 GCADMN COc1cccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1 ZINC001571159362 952718985 /nfs/dbraw/zinc/71/89/85/952718985.db2.gz VLUIMOBTHDXTIT-DGCLKSJQSA-N 0 1 380.412 0.802 20 0 GCADMN Cc1ccncc1C(=O)N[C@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571159628 952720617 /nfs/dbraw/zinc/72/06/17/952720617.db2.gz VELSMILZCSQLDO-STQMWFEESA-N 0 1 379.428 0.793 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3ccnnc3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159673 952720846 /nfs/dbraw/zinc/72/08/46/952720846.db2.gz VPPXELPJOVSAFX-XHDPSFHLSA-N 0 1 379.428 0.745 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccncc3-c3nn[nH]n3)C2)ncn1 ZINC001571160286 952724865 /nfs/dbraw/zinc/72/48/65/952724865.db2.gz XWOQELJSKBLZHY-WCQYABFASA-N 0 1 379.428 0.602 20 0 GCADMN Cc1cc(C(=O)N2CCC(C)(Nc3ccncc3-c3nn[nH]n3)CC2)ncn1 ZINC001571160270 952724923 /nfs/dbraw/zinc/72/49/23/952724923.db2.gz XRIPISJBZBFLFI-UHFFFAOYSA-N 0 1 379.428 0.889 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c(C)nn1 ZINC001571160327 952725469 /nfs/dbraw/zinc/72/54/69/952725469.db2.gz YOOIXUJDCNXRAY-CYBMUJFWSA-N 0 1 379.428 0.807 20 0 GCADMN O=C(Cc1ccoc1)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571161262 952731498 /nfs/dbraw/zinc/73/14/98/952731498.db2.gz TUSQZALKABAFSE-KGLIPLIRSA-N 0 1 380.412 0.777 20 0 GCADMN NC(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)[nH]1 ZINC001571161234 952731973 /nfs/dbraw/zinc/73/19/73/952731973.db2.gz RSSMYQYFEWEQIC-ZDUSSCGKSA-N 0 1 380.412 0.298 20 0 GCADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1onc2c1CCCC2 ZINC001571161474 952733482 /nfs/dbraw/zinc/73/34/82/952733482.db2.gz WUJFGIVTXGPMEB-XYPYZODXSA-N 0 1 380.412 0.923 20 0 GCADMN Cc1c[nH]c(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@@]3(C)C2)n1 ZINC001571162385 952743094 /nfs/dbraw/zinc/74/30/94/952743094.db2.gz SKLSILKNMQHXPS-DIFFPNOSSA-N 0 1 380.416 0.287 20 0 GCADMN Cc1c[nH]c(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)n1 ZINC001571162662 952745101 /nfs/dbraw/zinc/74/51/01/952745101.db2.gz XJQXPUJNPPQPPR-TUAOUCFPSA-N 0 1 380.416 0.476 20 0 GCADMN Cc1n[nH]cc1C(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571162713 952746594 /nfs/dbraw/zinc/74/65/94/952746594.db2.gz YCNLVEJVUGMNEA-WCQYABFASA-N 0 1 380.416 0.429 20 0 GCADMN O=C(c1c[nH]nc1C1CC1)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571165134 952746895 /nfs/dbraw/zinc/74/68/95/952746895.db2.gz CQFRFYCOKTXCQP-SNVBAGLBSA-N 0 1 380.416 0.253 20 0 GCADMN O=C(c1cn[nH]c1)N1CCC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571165402 952750551 /nfs/dbraw/zinc/75/05/51/952750551.db2.gz CQIGWETVDJLKJD-KRWDZBQOSA-N 0 1 380.416 0.513 20 0 GCADMN COC(=O)C[C@H](NS(=O)(=O)c1cccnc1-c1nn[nH]n1)C1CCCC1 ZINC001571165595 952753296 /nfs/dbraw/zinc/75/32/96/952753296.db2.gz GIEGKJVJYLZWFF-NSHDSACASA-N 0 1 380.430 0.662 20 0 GCADMN Cc1ncc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c(C)n1 ZINC001571166299 952759514 /nfs/dbraw/zinc/75/95/14/952759514.db2.gz QKSOBNBITRTLKK-ZWNOBZJWSA-N 0 1 380.416 0.201 20 0 GCADMN O=C(Cc1nnc[nH]1)N[C@]12CCC[C@@H]1N(c1ccc(-c3nn[nH]n3)nc1)CC2 ZINC001571166408 952760657 /nfs/dbraw/zinc/76/06/57/952760657.db2.gz RJZPTNIAWZAIAT-GUYCJALGSA-N 0 1 380.416 0.240 20 0 GCADMN O=C(Cc1nnc[nH]1)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[nH]n3)nc1)CC2 ZINC001571166400 952761191 /nfs/dbraw/zinc/76/11/91/952761191.db2.gz RJZPTNIAWZAIAT-DYVFJYSZSA-N 0 1 380.416 0.240 20 0 GCADMN O=C(c1cn(C2CCC2)nn1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571166480 952762289 /nfs/dbraw/zinc/76/22/89/952762289.db2.gz SHKQYEHXRUDUIQ-NSHDSACASA-N 0 1 380.416 0.327 20 0 GCADMN CCOc1ncccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571170009 952781477 /nfs/dbraw/zinc/78/14/77/952781477.db2.gz CGHMGVMPHPKCAZ-LLVKDONJSA-N 0 1 381.400 0.199 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1coc(C2CC2)n1 ZINC001571170416 952785718 /nfs/dbraw/zinc/78/57/18/952785718.db2.gz JCLPNMMMQKZCIS-MWLCHTKSSA-N 0 1 381.400 0.659 20 0 GCADMN NC(=O)c1cc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571170408 952785948 /nfs/dbraw/zinc/78/59/48/952785948.db2.gz IXDWMDWMZUMROY-AWEZNQCLSA-N 0 1 381.396 0.563 20 0 GCADMN NC(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)co1 ZINC001571170388 952786263 /nfs/dbraw/zinc/78/62/63/952786263.db2.gz INHXBTSVHCSANA-CQSZACIVSA-N 0 1 381.396 0.563 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001571172003 952800334 /nfs/dbraw/zinc/80/03/34/952800334.db2.gz ZZZKCPAJHPDKII-MWLCHTKSSA-N 0 1 381.400 0.659 20 0 GCADMN CO[C@@H](C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172238 952803986 /nfs/dbraw/zinc/80/39/86/952803986.db2.gz QKZFDSLAUVMVHU-NWDGAFQWSA-N 0 1 380.474 0.670 20 0 GCADMN CO[C@@H](C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172238 952803994 /nfs/dbraw/zinc/80/39/94/952803994.db2.gz QKZFDSLAUVMVHU-NWDGAFQWSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)no2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571174751 952814324 /nfs/dbraw/zinc/81/43/24/952814324.db2.gz HGAKHPCSXYEQGE-KOLCDFICSA-N 0 1 381.400 0.919 20 0 GCADMN Cc1cc(N2CC[C@H]3[C@@H]2CCCN3C(=O)c2cnon2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174765 952814647 /nfs/dbraw/zinc/81/46/47/952814647.db2.gz HSCRENLHHLOKFK-KBPBESRZSA-N 0 1 381.400 0.837 20 0 GCADMN COc1ncccc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571174830 952816330 /nfs/dbraw/zinc/81/63/30/952816330.db2.gz JPLDQRNYBBLGFL-UHFFFAOYSA-N 0 1 381.400 0.459 20 0 GCADMN Cc1nocc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571175360 952821449 /nfs/dbraw/zinc/82/14/49/952821449.db2.gz BGDKFEMDGNIYKT-RYUDHWBXSA-N 0 1 381.400 0.528 20 0 GCADMN O=C(NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ocnc1C1CC1 ZINC001571175441 952821710 /nfs/dbraw/zinc/82/17/10/952821710.db2.gz CWOGXXZSHDLANI-UHFFFAOYSA-N 0 1 381.400 0.921 20 0 GCADMN COc1ccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001571175419 952822291 /nfs/dbraw/zinc/82/22/91/952822291.db2.gz UQSRYYNGRUMHPI-YGRLFVJLSA-N 0 1 381.400 0.055 20 0 GCADMN COc1cccnc1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571175780 952825877 /nfs/dbraw/zinc/82/58/77/952825877.db2.gz ZRBBJAABJISZTN-LLVKDONJSA-N 0 1 381.400 0.459 20 0 GCADMN Cc1nocc1C(=O)N[C@@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571175904 952826820 /nfs/dbraw/zinc/82/68/20/952826820.db2.gz HJQOISPPCVGXKF-SJKOYZFVSA-N 0 1 381.400 0.885 20 0 GCADMN Cc1cc(NC[C@@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175776 952826963 /nfs/dbraw/zinc/82/69/63/952826963.db2.gz ZINCCBOJNNXYLD-NSHDSACASA-N 0 1 381.400 0.204 20 0 GCADMN O=C(Cc1cc(C2CC2)no1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571175889 952827062 /nfs/dbraw/zinc/82/70/62/952827062.db2.gz HCMSAVKSAASVER-XYPYZODXSA-N 0 1 381.400 0.246 20 0 GCADMN O=C(Cc1ccn[nH]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(-c3nn[nH]n3)c[nH]1)C2 ZINC001571176143 952829762 /nfs/dbraw/zinc/82/97/62/952829762.db2.gz MIOLXQKEHWXMAS-DYEKYZERSA-N 0 1 381.400 0.022 20 0 GCADMN O=C(c1ccn[nH]1)N1CC2(C1)CCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001571178343 952838959 /nfs/dbraw/zinc/83/89/59/952838959.db2.gz GEOPULXIEUKSOG-UHFFFAOYSA-N 0 1 381.400 0.296 20 0 GCADMN O=C(c1ncoc1C1CC1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571178519 952842213 /nfs/dbraw/zinc/84/22/13/952842213.db2.gz LQVAFSMZQXAZOY-LLVKDONJSA-N 0 1 381.400 0.661 20 0 GCADMN O=C(c1cc[nH]c(=O)c1)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571178768 952846734 /nfs/dbraw/zinc/84/67/34/952846734.db2.gz SWLOEQYXGSFUBD-UHFFFAOYSA-N 0 1 381.400 0.144 20 0 GCADMN Cc1ccc(CN2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H](O)C2)cc1C ZINC001571179578 952855054 /nfs/dbraw/zinc/85/50/54/952855054.db2.gz FXYJJKYQLCIFBX-SJORKVTESA-N 0 1 381.440 0.787 20 0 GCADMN CCc1c(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)ccn1C ZINC001571183747 952882283 /nfs/dbraw/zinc/88/22/83/952882283.db2.gz IOFOYKMGUOMSKD-RYUDHWBXSA-N 0 1 381.444 0.695 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cn[nH]c1 ZINC001571183719 952882614 /nfs/dbraw/zinc/88/26/14/952882614.db2.gz IBZOKAZHHKYTON-JSGCOSHPSA-N 0 1 381.444 0.831 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC001571184066 952887198 /nfs/dbraw/zinc/88/71/98/952887198.db2.gz PPVBGIWBWZKNJB-CHWSQXEVSA-N 0 1 381.444 0.770 20 0 GCADMN CCCc1[nH]ccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571184470 952894040 /nfs/dbraw/zinc/89/40/40/952894040.db2.gz ZZRLCKGPCGAPOR-BXUZGUMPSA-N 0 1 381.444 0.932 20 0 GCADMN Cc1c(CC(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cnn1C ZINC001571185031 952900319 /nfs/dbraw/zinc/90/03/19/952900319.db2.gz GYOARAGIZQFGDQ-AWEZNQCLSA-N 0 1 381.444 0.371 20 0 GCADMN CCn1ncc(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571185837 952904590 /nfs/dbraw/zinc/90/45/90/952904590.db2.gz QMBZJANLZLVGQF-OAHLLOKOSA-N 0 1 381.444 0.873 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@@H](CCNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571187672 952909166 /nfs/dbraw/zinc/90/91/66/952909166.db2.gz ALZAAGJVRPFMFD-CQSZACIVSA-N 0 1 381.444 0.539 20 0 GCADMN Cc1cc(N(C)C[C@H]2CCN(C(=O)c3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188155 952912729 /nfs/dbraw/zinc/91/27/29/952912729.db2.gz HBGIXTFNNJYKED-CYBMUJFWSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)c2cncn2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188364 952913102 /nfs/dbraw/zinc/91/31/02/952913102.db2.gz JIUYNANUTLABDA-JSGCOSHPSA-N 0 1 381.444 0.736 20 0 GCADMN Cc1nccnc1CN[C@@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1(C)C ZINC001571188380 952913862 /nfs/dbraw/zinc/91/38/62/952913862.db2.gz AENMZJKHRWDHCY-OAHLLOKOSA-N 0 1 381.444 0.934 20 0 GCADMN Cc1cc(N2C[C@H](NC(=O)c3ccnn3C)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188856 952920244 /nfs/dbraw/zinc/92/02/44/952920244.db2.gz OERWSRCUIMVHJV-HNNXBMFYSA-N 0 1 381.444 0.948 20 0 GCADMN Cc1cc(C(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571189106 952923856 /nfs/dbraw/zinc/92/38/56/952923856.db2.gz SEIGMAKRAQRRRB-CYBMUJFWSA-N 0 1 381.444 0.963 20 0 GCADMN Cc1ccn(C)c1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571189303 952928266 /nfs/dbraw/zinc/92/82/66/952928266.db2.gz URZDVWZEOAIPBM-CHWSQXEVSA-N 0 1 381.444 0.546 20 0 GCADMN Cc1nn(C)cc1CC(=O)N[C@@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189533 952930111 /nfs/dbraw/zinc/93/01/11/952930111.db2.gz WXTJWWBTBAQEHS-HDJSIYSDSA-N 0 1 381.444 0.336 20 0 GCADMN Cc1ncn(C)c1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189619 952932231 /nfs/dbraw/zinc/93/22/31/952932231.db2.gz YVXXNGOZQUODDU-ZDUSSCGKSA-N 0 1 381.444 0.868 20 0 GCADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CC[C@H](NCc2cc3n(n2)CCCC3)C1 ZINC001571189895 952936720 /nfs/dbraw/zinc/93/67/20/952936720.db2.gz YSKIIPDBQMSHCC-ZDUSSCGKSA-N 0 1 381.444 0.732 20 0 GCADMN Cc1nn(C)c(C)c1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571189901 952938036 /nfs/dbraw/zinc/93/80/36/952938036.db2.gz YXYLDXGBMKYBGN-JOCQHMNTSA-N 0 1 381.444 0.654 20 0 GCADMN O=C(Nc1nc(Cl)c(-c2nn[nH]n2)s1)N[C@@H]1CCc2nnnn2CC1 ZINC001571191695 952946414 /nfs/dbraw/zinc/94/64/14/952946414.db2.gz QTAGAAXNYUMBDX-RXMQYKEDSA-N 0 1 381.813 0.490 20 0 GCADMN O=C(Cc1ccc(F)cn1)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571196997 952985962 /nfs/dbraw/zinc/98/59/62/952985962.db2.gz RCFJYAUQTYEWEX-AWEZNQCLSA-N 0 1 382.403 0.863 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)Cc1ccc(F)cc1 ZINC001571197309 952988603 /nfs/dbraw/zinc/98/86/03/952988603.db2.gz VXNGXTWIWDOVLN-RISCZKNCSA-N 0 1 382.403 0.862 20 0 GCADMN Cc1[nH]ccc1C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571198558 952991139 /nfs/dbraw/zinc/99/11/39/952991139.db2.gz CCVBHGCYOCARJA-UHFFFAOYSA-N 0 1 382.428 0.399 20 0 GCADMN COc1nn(C)cc1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571198530 952991683 /nfs/dbraw/zinc/99/16/83/952991683.db2.gz BCRQYDBUJFURIM-CQSZACIVSA-N 0 1 382.428 0.613 20 0 GCADMN COc1cccc(CN[C@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571198712 952992785 /nfs/dbraw/zinc/99/27/85/952992785.db2.gz DPNKNEXODYVZIC-RISCZKNCSA-N 0 1 382.428 0.991 20 0 GCADMN CC[C@@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571199918 953005042 /nfs/dbraw/zinc/00/50/42/953005042.db2.gz CRMQOGNLFBNNDP-OCCSQVGLSA-N 0 1 382.428 0.953 20 0 GCADMN O=C(Cn1cccn1)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001571201908 953020888 /nfs/dbraw/zinc/02/08/88/953020888.db2.gz SYYHLTZNKCOYON-QLPKVWCKSA-N 0 1 382.403 0.449 20 0 GCADMN Cc1cc(N[C@]2(CO)CCCN(C(=O)c3cc[nH]c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202280 953023678 /nfs/dbraw/zinc/02/36/78/953023678.db2.gz SKPITTAFXFHQND-GOSISDBHSA-N 0 1 382.428 0.399 20 0 GCADMN Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@]2(C)CCC(=O)N2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202586 953026321 /nfs/dbraw/zinc/02/63/21/953026321.db2.gz VKGDIXFCVYGILQ-PZROIBLQSA-N 0 1 382.428 0.028 20 0 GCADMN O=C(C1=CCOCC1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571204588 953029679 /nfs/dbraw/zinc/02/96/79/953029679.db2.gz AHMKACJKDRUIFP-OKILXGFUSA-N 0 1 382.428 0.573 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571204846 953032294 /nfs/dbraw/zinc/03/22/94/953032294.db2.gz CXBQJUYKBNWOPO-AAEUAGOBSA-N 0 1 382.432 0.165 20 0 GCADMN O=C(C1=COCCC1)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571204936 953035093 /nfs/dbraw/zinc/03/50/93/953035093.db2.gz DLHJBGORAUWIFT-UONOGXRCSA-N 0 1 382.428 0.921 20 0 GCADMN CCCn1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(C)n1 ZINC001571205159 953036504 /nfs/dbraw/zinc/03/65/04/953036504.db2.gz GSQWQXADQSFEIR-LBPRGKRZSA-N 0 1 382.432 0.580 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)c2[nH]c(C)nc2C)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571205436 953038492 /nfs/dbraw/zinc/03/84/92/953038492.db2.gz IIJJPRRGTIBCMF-NWDGAFQWSA-N 0 1 382.432 0.784 20 0 GCADMN CCc1n[nH]cc1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571205505 953039046 /nfs/dbraw/zinc/03/90/46/953039046.db2.gz KKLVGZNOBMRCSA-UHFFFAOYSA-N 0 1 382.432 0.589 20 0 GCADMN CCCc1n[nH]cc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571205477 953039460 /nfs/dbraw/zinc/03/94/60/953039460.db2.gz JPCPVVWPUXPPBX-UHFFFAOYSA-N 0 1 382.432 0.731 20 0 GCADMN CCc1nc[nH]c1C(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206011 953045670 /nfs/dbraw/zinc/04/56/70/953045670.db2.gz QSNBEFIMDACFJO-WDEREUQCSA-N 0 1 382.432 0.517 20 0 GCADMN CCc1nc[nH]c1C(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206009 953045963 /nfs/dbraw/zinc/04/59/63/953045963.db2.gz QSNBEFIMDACFJO-MNOVXSKESA-N 0 1 382.432 0.517 20 0 GCADMN CCN(C(=O)c1[nH]c(C)nc1C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206002 953046446 /nfs/dbraw/zinc/04/64/46/953046446.db2.gz QQCNAWKHRBYMNG-LBPRGKRZSA-N 0 1 382.432 0.738 20 0 GCADMN CC[C@@H]1CN(C(=O)c2c[nH]c(C)n2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571206173 953048121 /nfs/dbraw/zinc/04/81/21/953048121.db2.gz RZWIXEFHTZQION-NEPJUHHUSA-N 0 1 382.432 0.463 20 0 GCADMN CCc1cc(C(=O)N[C@H]2CC[C@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571206253 953049413 /nfs/dbraw/zinc/04/94/13/953049413.db2.gz SQCSFRJFMLDHBY-JQWIXIFHSA-N 0 1 382.432 0.730 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571206325 953050266 /nfs/dbraw/zinc/05/02/66/953050266.db2.gz TYQBGYGOIUDZDO-NEPJUHHUSA-N 0 1 382.432 0.662 20 0 GCADMN CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC001571206414 953051394 /nfs/dbraw/zinc/05/13/94/953051394.db2.gz GPQPARDUPRWMQU-NSHDSACASA-N 0 1 382.432 0.537 20 0 GCADMN CCn1ccc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)n1 ZINC001571206515 953052343 /nfs/dbraw/zinc/05/23/43/953052343.db2.gz HTUHVGMSZBTKHJ-VXGBXAGGSA-N 0 1 382.432 0.115 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001571206473 953052358 /nfs/dbraw/zinc/05/23/58/953052358.db2.gz PYGGSKMDFQVRPM-OLZOCXBDSA-N 0 1 382.432 0.187 20 0 GCADMN CCn1nccc1C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571206701 953053855 /nfs/dbraw/zinc/05/38/55/953053855.db2.gz JLNKWFIEGCEJJU-VXGBXAGGSA-N 0 1 382.432 0.306 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(NC[C@@H]2CCN(C(=O)c3ccn[nH]3)C[C@H]2C)n1 ZINC001571206807 953056057 /nfs/dbraw/zinc/05/60/57/953056057.db2.gz KUAPKUYPOPBYLZ-PWSUYJOCSA-N 0 1 382.432 0.899 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@H]1CC12CCOCC2 ZINC001571206937 953057197 /nfs/dbraw/zinc/05/71/97/953057197.db2.gz UJYOYSPJQWLWQW-CZXHOFHRSA-N 0 1 382.428 0.024 20 0 GCADMN Cc1c[nH]nc1C(=O)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207254 953060767 /nfs/dbraw/zinc/06/07/67/953060767.db2.gz PBWRODCGDAMLEM-GFCCVEGCSA-N 0 1 382.432 0.465 20 0 GCADMN CCn1nc(C)cc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207239 953061334 /nfs/dbraw/zinc/06/13/34/953061334.db2.gz OXHPIGJFCNPFCJ-GFCCVEGCSA-N 0 1 382.432 0.438 20 0 GCADMN CCn1ccnc1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571207498 953063682 /nfs/dbraw/zinc/06/36/82/953063682.db2.gz UQXYMMUQEABWQJ-VXGBXAGGSA-N 0 1 382.432 0.375 20 0 GCADMN Cc1nc(CNC(=O)N2CCCN(c3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC001571211443 953076443 /nfs/dbraw/zinc/07/64/43/953076443.db2.gz ATPPUUUIMOLYQI-UHFFFAOYSA-N 0 1 382.432 0.715 20 0 GCADMN Cc1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]2C)n1C ZINC001571211837 953081334 /nfs/dbraw/zinc/08/13/34/953081334.db2.gz HBGJUUPCRBAGSW-JQWIXIFHSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571212122 953084437 /nfs/dbraw/zinc/08/44/37/953084437.db2.gz JCXRTAXLJIOROF-YPMHNXCESA-N 0 1 382.432 0.486 20 0 GCADMN Cc1cc(N[C@@H]2CC[C@H](CNC(=O)c3cnnn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212139 953084570 /nfs/dbraw/zinc/08/45/70/953084570.db2.gz JNXVSWANVBWHQP-NWDGAFQWSA-N 0 1 382.432 0.131 20 0 GCADMN Cc1nc(N[C@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)ccc1-c1nn[nH]n1 ZINC001571212180 953085327 /nfs/dbraw/zinc/08/53/27/953085327.db2.gz KNWXZGOWYLLANS-LBPRGKRZSA-N 0 1 382.432 0.724 20 0 GCADMN Cc1cc(N[C@H]2CCCN(C(=O)c3cnn(C)c3N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212314 953087031 /nfs/dbraw/zinc/08/70/31/953087031.db2.gz LLDPDGQAVQJPMX-NSHDSACASA-N 0 1 382.432 0.024 20 0 GCADMN Cc1c(C(=O)N2C[C@@H](C)[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nnn1C ZINC001571212353 953087444 /nfs/dbraw/zinc/08/74/44/953087444.db2.gz MGGQGOKBEPYOSG-OTYXRUKQSA-N 0 1 382.432 0.002 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)c(C)n2)[C@@H](C)C1 ZINC001571212394 953087906 /nfs/dbraw/zinc/08/79/06/953087906.db2.gz NNVMDDVBKASWOZ-ZANVPECISA-N 0 1 382.432 0.959 20 0 GCADMN Cc1cc(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571212383 953088228 /nfs/dbraw/zinc/08/82/28/953088228.db2.gz NDVWOAKTVMSJLZ-GFCCVEGCSA-N 0 1 382.432 0.867 20 0 GCADMN Cc1nc(CN2C[C@@H]3CCCN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)[C@@H]3C2)n[nH]1 ZINC001571213061 953092159 /nfs/dbraw/zinc/09/21/59/953092159.db2.gz QHEOPRGAHOJLMZ-SMDDNHRTSA-N 0 1 382.432 0.358 20 0 GCADMN Cc1cc(NCC2CC(NC(=O)[C@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213116 953092202 /nfs/dbraw/zinc/09/22/02/953092202.db2.gz QTSJXMMQZWKUAH-HIFPTAJRSA-N 0 1 382.432 0.151 20 0 GCADMN Cc1nc(N2CCC[C@H]([C@@H](C)NC(=O)c3cnn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571213897 953098260 /nfs/dbraw/zinc/09/82/60/953098260.db2.gz YFTKFNISYUHAHP-PWSUYJOCSA-N 0 1 382.432 0.723 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571214009 953098879 /nfs/dbraw/zinc/09/88/79/953098879.db2.gz UZWJFEGEHLPZTC-KFZJALRRSA-N 0 1 382.472 0.829 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001571214009 953098883 /nfs/dbraw/zinc/09/88/83/953098883.db2.gz UZWJFEGEHLPZTC-KFZJALRRSA-N 0 1 382.472 0.829 20 0 GCADMN Cn1cnnc1CN[C@@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 ZINC001571214110 953099404 /nfs/dbraw/zinc/09/94/04/953099404.db2.gz YHFKSZRGUIBQCI-OLZOCXBDSA-N 0 1 382.432 0.154 20 0 GCADMN Cc1nn(C)cc1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571214277 953100529 /nfs/dbraw/zinc/10/05/29/953100529.db2.gz ZZYMJJWHXHDALH-GFCCVEGCSA-N 0 1 382.432 0.488 20 0 GCADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1NC(=O)c1cncc(F)c1 ZINC001571216632 953102676 /nfs/dbraw/zinc/10/26/76/953102676.db2.gz AFRMEHUPPGAVIH-LBPRGKRZSA-N 0 1 383.391 0.836 20 0 GCADMN O=C(Nc1nc(Cl)c(-c2nn[nH]n2)s1)Nc1ccc(=O)n(CCO)c1 ZINC001571217285 953107323 /nfs/dbraw/zinc/10/73/23/953107323.db2.gz DSEBMYGDSONZNZ-UHFFFAOYSA-N 0 1 382.793 0.775 20 0 GCADMN O=C(CCc1c[nH]nn1)N1C[C@@H]2C[C@H]1CN2c1cccc(F)c1-c1nn[nH]n1 ZINC001571218522 953116145 /nfs/dbraw/zinc/11/61/45/953116145.db2.gz AFYHECOBNXBSJM-RYUDHWBXSA-N 0 1 383.391 0.546 20 0 GCADMN O=C(c1cc(F)c[nH]1)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571218932 953120874 /nfs/dbraw/zinc/12/08/74/953120874.db2.gz HKCHQWBJVLEVAX-KRWDZBQOSA-N 0 1 383.391 0.867 20 0 GCADMN Nc1nccnc1C(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571220121 953128493 /nfs/dbraw/zinc/12/84/93/953128493.db2.gz XMRZPISRHJRZHW-LBPRGKRZSA-N 0 1 383.391 0.382 20 0 GCADMN O=C(Cc1ccc(F)cn1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571220152 953129382 /nfs/dbraw/zinc/12/93/82/953129382.db2.gz XZMWCYQMGMUYIA-CYBMUJFWSA-N 0 1 383.391 0.258 20 0 GCADMN CC[C@@H]1CN(C(=O)c2ncoc2C)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571222169 953131673 /nfs/dbraw/zinc/13/16/73/953131673.db2.gz DNKSHWFIJQJEAK-NEPJUHHUSA-N 0 1 383.416 0.728 20 0 GCADMN CC[C@H]1CN(C(=O)c2ncoc2C)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571222170 953131716 /nfs/dbraw/zinc/13/17/16/953131716.db2.gz DNKSHWFIJQJEAK-NWDGAFQWSA-N 0 1 383.416 0.728 20 0 GCADMN COc1cc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nn1C ZINC001571222505 953134756 /nfs/dbraw/zinc/13/47/56/953134756.db2.gz HACTWBBKTIHVPK-GHMZBOCLSA-N 0 1 383.416 0.141 20 0 GCADMN C[C@H]1CN(C(=O)Cc2cnoc2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571222644 953136927 /nfs/dbraw/zinc/13/69/27/953136927.db2.gz KINZHWMRTBCKDJ-WCQYABFASA-N 0 1 383.416 0.206 20 0 GCADMN CCc1nc(C)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)o1 ZINC001571222724 953137615 /nfs/dbraw/zinc/13/76/15/953137615.db2.gz KGFHESVFCDWOTD-MNOVXSKESA-N 0 1 383.416 0.653 20 0 GCADMN COc1nccc(CNC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001571222695 953137667 /nfs/dbraw/zinc/13/76/67/953137667.db2.gz JHSUYEBPMOJWHH-ZDUSSCGKSA-N 0 1 383.416 0.388 20 0 GCADMN CCc1nc(C)c(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571222921 953140636 /nfs/dbraw/zinc/14/06/36/953140636.db2.gz NNZSOXYQLFXLEI-UHFFFAOYSA-N 0 1 383.416 0.653 20 0 GCADMN Cc1cc(N[C@@]2(CO)CCCN(C(=O)c3ccoc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571223689 953145797 /nfs/dbraw/zinc/14/57/97/953145797.db2.gz SPZIMNAOZZBGNZ-SFHVURJKSA-N 0 1 383.412 0.664 20 0 GCADMN O=C(NC[C@H]1CN(Cc2ccccc2-c2nn[nH]n2)CCCO1)c1ccon1 ZINC001571223762 953146285 /nfs/dbraw/zinc/14/62/85/953146285.db2.gz UMPACHVHMYCALS-AWEZNQCLSA-N 0 1 383.412 0.876 20 0 GCADMN CCc1nc(C)c(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571223817 953146896 /nfs/dbraw/zinc/14/68/96/953146896.db2.gz XUFYQUBCXMCKJX-LLVKDONJSA-N 0 1 383.416 0.654 20 0 GCADMN CCc1oncc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001571223845 953146925 /nfs/dbraw/zinc/14/69/25/953146925.db2.gz YIEIKEVLIAMTOU-JQWIXIFHSA-N 0 1 383.416 0.592 20 0 GCADMN CCc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571223778 953147184 /nfs/dbraw/zinc/14/71/84/953147184.db2.gz VGTCEUKLRYMQIC-WDEREUQCSA-N 0 1 383.416 0.782 20 0 GCADMN CC(C)c1oncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571223768 953147257 /nfs/dbraw/zinc/14/72/57/953147257.db2.gz UUILDYLUCBUNJH-ZYHUDNBSSA-N 0 1 383.416 0.763 20 0 GCADMN Cc1occc1C(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571224104 953148395 /nfs/dbraw/zinc/14/83/95/953148395.db2.gz YFHWNLYQNBWGDO-SFHVURJKSA-N 0 1 383.412 0.664 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)no1 ZINC001571224132 953149204 /nfs/dbraw/zinc/14/92/04/953149204.db2.gz YXKXGMYOIWWWHM-GDBMZVCRSA-N 0 1 383.412 0.528 20 0 GCADMN Cc1ncc(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccc(-c4nn[nH]n4)nc3)C2)[nH]1 ZINC001571224892 953151364 /nfs/dbraw/zinc/15/13/64/953151364.db2.gz FYKONFWKLWPPLR-ZUZCIYMTSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1ncc(C(=O)N2CCC[C@@](CO)(Nc3ccc(-c4nn[nH]n4)cn3)C2)[nH]1 ZINC001571224771 953151541 /nfs/dbraw/zinc/15/15/41/953151541.db2.gz FSQFZYCBRBUBDO-QGZVFWFLSA-N 0 1 383.416 0.372 20 0 GCADMN Cc1cc(C(=O)N2CCO[C@H]([C@H](C)Nc3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571224905 953151548 /nfs/dbraw/zinc/15/15/48/953151548.db2.gz GFLVNOKJIIOQJY-NHYWBVRUSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1cc(C(=O)N2CCCO[C@@H](CNc3ncccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571224908 953151554 /nfs/dbraw/zinc/15/15/54/953151554.db2.gz GGKXPLYHCGAVBF-LBPRGKRZSA-N 0 1 383.416 0.636 20 0 GCADMN Cc1cc(N2CCC([C@H](C)NC(=O)c3cnon3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571225663 953153645 /nfs/dbraw/zinc/15/36/45/953153645.db2.gz MSFWBNONMFUOKR-NSHDSACASA-N 0 1 383.416 0.988 20 0 GCADMN Cc1noc(C)c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@@H]1C ZINC001571225912 953154596 /nfs/dbraw/zinc/15/45/96/953154596.db2.gz OEWBKGIXXKKATK-JOYOIKCWSA-N 0 1 383.416 0.789 20 0 GCADMN Cc1ncc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C)[nH]1 ZINC001571226989 953158130 /nfs/dbraw/zinc/15/81/30/953158130.db2.gz YJERIPJGHVRJBJ-CABZTGNLSA-N 0 1 383.416 0.649 20 0 GCADMN CN1CC(C(=O)NC[C@H]2CCCN(c3ncccc3-c3nn[nH]n3)C2)=NC1=O ZINC001571227828 953159984 /nfs/dbraw/zinc/15/99/84/953159984.db2.gz CQCLSJGWOJEKFL-LLVKDONJSA-N 0 1 383.416 0.347 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571228204 953163039 /nfs/dbraw/zinc/16/30/39/953163039.db2.gz KPKYESWTAYUKPS-ZWNOBZJWSA-N 0 1 383.416 0.267 20 0 GCADMN Cc1nonc1CC(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571228592 953165416 /nfs/dbraw/zinc/16/54/16/953165416.db2.gz TUBAKSDVHXLZHE-GFCCVEGCSA-N 0 1 383.416 0.411 20 0 GCADMN O=C(CCc1ccon1)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571228643 953165798 /nfs/dbraw/zinc/16/57/98/953165798.db2.gz UMVCUKCCXSJMFS-LBPRGKRZSA-N 0 1 383.416 0.350 20 0 GCADMN O=C(CCc1cnc[nH]1)N1CCO[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571228819 953167134 /nfs/dbraw/zinc/16/71/34/953167134.db2.gz VXXJSRPSJWOHCF-CQSZACIVSA-N 0 1 383.416 0.257 20 0 GCADMN O=C(N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1cnns1 ZINC001571230238 953175455 /nfs/dbraw/zinc/17/54/55/953175455.db2.gz AYKPPKVEDQTIHM-STQMWFEESA-N 0 1 383.441 0.688 20 0 GCADMN Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2cnns2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571230940 953182208 /nfs/dbraw/zinc/18/22/08/953182208.db2.gz NTZKDKOFNPEVRL-PHIMTYICSA-N 0 1 383.441 0.915 20 0 GCADMN C[C@]1(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCNC(=O)C1 ZINC001571231085 953182665 /nfs/dbraw/zinc/18/26/65/953182665.db2.gz RXZMYUZNEYVNST-BEFAXECRSA-N 0 1 383.456 0.474 20 0 GCADMN O=C(c1cncs1)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571231107 953183159 /nfs/dbraw/zinc/18/31/59/953183159.db2.gz SFWLFWCIDHEBHZ-MNOVXSKESA-N 0 1 383.441 0.997 20 0 GCADMN CN(C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001571231170 953183420 /nfs/dbraw/zinc/18/34/20/953183420.db2.gz URFDYTAPQNUGTI-JKSUJKDBSA-N 0 1 383.456 0.378 20 0 GCADMN O=C(N[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1cnsn1 ZINC001571231485 953184645 /nfs/dbraw/zinc/18/46/45/953184645.db2.gz 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C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@](O)(C(=O)[O-])C1 ZINC001589398771 986555798 /nfs/dbraw/zinc/55/57/98/986555798.db2.gz UCHQYQQORQZULM-YWZLYKJASA-N 0 1 375.469 0.677 20 0 GCADMN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-] ZINC001594618764 986641257 /nfs/dbraw/zinc/64/12/57/986641257.db2.gz INOINBOCSJBPOA-BVRBVLIYSA-N 0 1 393.465 0.551 20 0 GCADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001589416712 986658424 /nfs/dbraw/zinc/65/84/24/986658424.db2.gz ZYJFEVPJTYCOJY-JSGCOSHPSA-N 0 1 383.470 0.261 20 0 GCADMN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC001589416712 986658427 /nfs/dbraw/zinc/65/84/27/986658427.db2.gz ZYJFEVPJTYCOJY-JSGCOSHPSA-N 0 1 383.470 0.261 20 0 GCADMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589438435 986763177 /nfs/dbraw/zinc/76/31/77/986763177.db2.gz MLQFTDJZGMTXDJ-GXSJLCMTSA-N 0 1 385.384 0.832 20 0 GCADMN C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589438435 986763183 /nfs/dbraw/zinc/76/31/83/986763183.db2.gz MLQFTDJZGMTXDJ-GXSJLCMTSA-N 0 1 385.384 0.832 20 0 GCADMN CCOc1ccc(OC)cc1NC(=O)C(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1 ZINC001597129429 986838156 /nfs/dbraw/zinc/83/81/56/986838156.db2.gz AADZGNWJGBWVHC-GFCCVEGCSA-N 0 1 379.413 0.507 20 0 GCADMN CCOc1ccccc1N1C[C@H](C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)CC1=O ZINC001597178206 987024537 /nfs/dbraw/zinc/02/45/37/987024537.db2.gz DRPYZQDNJNTSCQ-HUUCEWRRSA-N 0 1 389.452 0.913 20 0 GCADMN CCOc1ccccc1N1C[C@H](C(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)CC1=O ZINC001597178204 987024595 /nfs/dbraw/zinc/02/45/95/987024595.db2.gz DRPYZQDNJNTSCQ-CABCVRRESA-N 0 1 389.452 0.913 20 0 GCADMN CCOc1ncc(C)cc1NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001597197605 987091185 /nfs/dbraw/zinc/09/11/85/987091185.db2.gz IVDVATZTJJOCRC-CYBMUJFWSA-N 0 1 378.429 0.735 20 0 GCADMN CCOc1ncc(C)cc1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001597197605 987091193 /nfs/dbraw/zinc/09/11/93/987091193.db2.gz IVDVATZTJJOCRC-CYBMUJFWSA-N 0 1 378.429 0.735 20 0 GCADMN CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)C1 ZINC001597218932 987146877 /nfs/dbraw/zinc/14/68/77/987146877.db2.gz FHPJWRFMWONNNU-KBPBESRZSA-N 0 1 375.491 0.056 20 0 GCADMN C[C@H](C(=O)[O-])c1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC001589522783 987182238 /nfs/dbraw/zinc/18/22/38/987182238.db2.gz HFVXTAXAGQBWOI-MJBXVCDLSA-N 0 1 377.441 0.727 20 0 GCADMN C[C@H](C(=O)[O-])c1cccc(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC001589522783 987182245 /nfs/dbraw/zinc/18/22/45/987182245.db2.gz HFVXTAXAGQBWOI-MJBXVCDLSA-N 0 1 377.441 0.727 20 0 GCADMN CCc1cc(N2CCC[C@@H](NC(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)C2)ncn1 ZINC001597476457 987940137 /nfs/dbraw/zinc/94/01/37/987940137.db2.gz DBHVOVKJPTYDPJ-GOEBONIOSA-N 0 1 390.488 0.666 20 0 GCADMN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])CCc1ccc(S(N)(=O)=O)cc1 ZINC001589884214 988566488 /nfs/dbraw/zinc/56/64/88/988566488.db2.gz ZFAUMTLMLUKDHU-UHFFFAOYSA-N 0 1 386.470 0.995 20 0 GCADMN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])CCc1ccc(S(N)(=O)=O)cc1 ZINC001589884214 988566493 /nfs/dbraw/zinc/56/64/93/988566493.db2.gz ZFAUMTLMLUKDHU-UHFFFAOYSA-N 0 1 386.470 0.995 20 0 GCADMN CC(C)(C)OC(=O)CN1CC[C@H]([N@@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001589892621 988588954 /nfs/dbraw/zinc/58/89/54/988588954.db2.gz VYBCSRNRDQRSGS-AAEUAGOBSA-N 0 1 379.417 0.166 20 0 GCADMN CC(C)(C)OC(=O)CN1CC[C@H]([N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1=O ZINC001589892621 988588958 /nfs/dbraw/zinc/58/89/58/988588958.db2.gz VYBCSRNRDQRSGS-AAEUAGOBSA-N 0 1 379.417 0.166 20 0 GCADMN CCc1nc([C@@H](C)NC(=O)C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)cs1 ZINC001597651994 988695432 /nfs/dbraw/zinc/69/54/32/988695432.db2.gz GNDUAIMWGAKGGH-VXGBXAGGSA-N 0 1 382.486 0.890 20 0 GCADMN CCc1nc([C@@H](C)NC(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cs1 ZINC001597651994 988695435 /nfs/dbraw/zinc/69/54/35/988695435.db2.gz GNDUAIMWGAKGGH-VXGBXAGGSA-N 0 1 382.486 0.890 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[N@@H+]1CCO[C@H](CC(=O)[O-])C1)OC2=O ZINC001589941968 988726508 /nfs/dbraw/zinc/72/65/08/988726508.db2.gz PULUXTJDQWHYOW-OLZOCXBDSA-N 0 1 384.429 0.715 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C[N@H+]1CCO[C@H](CC(=O)[O-])C1)OC2=O ZINC001589941968 988726514 /nfs/dbraw/zinc/72/65/14/988726514.db2.gz PULUXTJDQWHYOW-OLZOCXBDSA-N 0 1 384.429 0.715 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C[C@H]1CCCS1(=O)=O)C[C@@H]2C(=O)[O-] ZINC001589946962 988733596 /nfs/dbraw/zinc/73/35/96/988733596.db2.gz CCXWAHMIGDKTLU-CHWSQXEVSA-N 0 1 388.486 0.817 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)CC[NH+]1CCOCC1)C[C@H]2C(=O)[O-] ZINC001589948305 988740088 /nfs/dbraw/zinc/74/00/88/988740088.db2.gz KYWJUZFRCVHCFI-AWEZNQCLSA-N 0 1 397.472 0.489 20 0 GCADMN CCc1nn(C)c(OC)c1CNC(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001597718283 988991970 /nfs/dbraw/zinc/99/19/70/988991970.db2.gz OOXCXSDULOMHLZ-GOSISDBHSA-N 0 1 395.460 0.062 20 0 GCADMN CC(C)(C)OC(=O)N1CCN(C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)CC1 ZINC001590050456 989077868 /nfs/dbraw/zinc/07/78/68/989077868.db2.gz FMTUSZKMRPWBGZ-UHFFFAOYSA-N 0 1 385.461 0.631 20 0 GCADMN CC(C)(C)OC(=O)N1CCN(C(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)CC1 ZINC001590050456 989077878 /nfs/dbraw/zinc/07/78/78/989077878.db2.gz FMTUSZKMRPWBGZ-UHFFFAOYSA-N 0 1 385.461 0.631 20 0 GCADMN CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@@H+](CCC(=O)NCC(=O)[O-])C2)CC1 ZINC001590055461 989092193 /nfs/dbraw/zinc/09/21/93/989092193.db2.gz QHJQTAXUNDZWBP-AWEZNQCLSA-N 0 1 384.477 0.204 20 0 GCADMN CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)CC1 ZINC001590059194 989109206 /nfs/dbraw/zinc/10/92/06/989109206.db2.gz ZKBHDLKUEQIMJV-FICVDOATSA-N 0 1 396.488 0.901 20 0 GCADMN CC(C)(C)OC(=O)N1CCO[C@@H](C[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)C1 ZINC001590067713 989143595 /nfs/dbraw/zinc/14/35/95/989143595.db2.gz VXKJMCMJRSDOKK-STQMWFEESA-N 0 1 381.433 0.859 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1CC(=O)[O-] ZINC001599866646 989274938 /nfs/dbraw/zinc/27/49/38/989274938.db2.gz HJVIRGNDLVNVNQ-UKRRQHHQSA-N 0 1 397.497 0.425 20 0 GCADMN C[C@@H]1CN(c2nnc(-c3nc4c(s3)C[N@H+](C)CC4)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599869855 989331303 /nfs/dbraw/zinc/33/13/03/989331303.db2.gz PROJFRZWHYYLEL-KOLCDFICSA-N 0 1 378.458 0.605 20 0 GCADMN C[C@@H]1CN(c2nnc(-c3nc4c(s3)C[N@@H+](C)CC4)n2C)C[C@@H](C(=O)[O-])O1 ZINC001599869855 989331312 /nfs/dbraw/zinc/33/13/12/989331312.db2.gz PROJFRZWHYYLEL-KOLCDFICSA-N 0 1 378.458 0.605 20 0 GCADMN CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC001590119198 989335832 /nfs/dbraw/zinc/33/58/32/989335832.db2.gz UHSCGPZNFKPUSX-CQSZACIVSA-N 0 1 385.461 0.535 20 0 GCADMN CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001590119148 989336543 /nfs/dbraw/zinc/33/65/43/989336543.db2.gz SQHWDBCCAVSKDG-MGPQQGTHSA-N 0 1 385.461 0.724 20 0 GCADMN C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)O[C@H]1C(=O)[O-] ZINC001599875514 989413176 /nfs/dbraw/zinc/41/31/76/989413176.db2.gz UHZURHGSTOABNZ-VDHUWJSZSA-N 0 1 375.469 0.797 20 0 GCADMN C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)O[C@H]1C(=O)[O-] ZINC001599875514 989413182 /nfs/dbraw/zinc/41/31/82/989413182.db2.gz UHZURHGSTOABNZ-VDHUWJSZSA-N 0 1 375.469 0.797 20 0 GCADMN CCn1c(=O)[nH]c(=O)c2c(C(=O)NCC[N@@H+](C)CC(=O)[O-])cc(C(C)C)nc21 ZINC001597832674 989505340 /nfs/dbraw/zinc/50/53/40/989505340.db2.gz SRBIGTKJUMEXLT-UHFFFAOYSA-N 0 1 391.428 0.387 20 0 GCADMN CCn1c(C[N@@H+]2CC[C@](O)(C(=O)[O-])C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001597850963 989594857 /nfs/dbraw/zinc/59/48/57/989594857.db2.gz XAVARUDAOXGATC-QGZVFWFLSA-N 0 1 396.469 0.328 20 0 GCADMN CCn1c(C[N@H+]2CC[C@](O)(C(=O)[O-])C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001597850963 989594869 /nfs/dbraw/zinc/59/48/69/989594869.db2.gz XAVARUDAOXGATC-QGZVFWFLSA-N 0 1 396.469 0.328 20 0 GCADMN CC(C)(C)OC(=O)NCc1cn([C@H]2CCC[N@@H+](C[C@](C)(O)C(=O)[O-])C2)nn1 ZINC001590229561 989601386 /nfs/dbraw/zinc/60/13/86/989601386.db2.gz JPFDGCOYPIDGGQ-GUYCJALGSA-N 0 1 383.449 0.775 20 0 GCADMN CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c(=O)[nH]c1=O ZINC001597859655 989630790 /nfs/dbraw/zinc/63/07/90/989630790.db2.gz XEJBPJIJTWUXPX-GRYCIOLGSA-N 0 1 378.429 0.699 20 0 GCADMN CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@]2(C(=O)[O-])C1 ZINC001590291534 989708693 /nfs/dbraw/zinc/70/86/93/989708693.db2.gz RTWDCZMRFKXLDH-FTLABTOESA-N 0 1 396.444 0.228 20 0 GCADMN CC(C)(C)OCCC[NH+]1CCN(C(=O)NCCC(=O)NCCC(=O)[O-])CC1 ZINC001590381549 989894156 /nfs/dbraw/zinc/89/41/56/989894156.db2.gz CCQXAHHLOOGJRE-UHFFFAOYSA-N 0 1 386.493 0.500 20 0 GCADMN 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COc1cccc([C@@H](C)NC(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)c1 ZINC001599655214 994568661 /nfs/dbraw/zinc/56/86/61/994568661.db2.gz MFIJFDMVXSZZKF-ZIAGYGMSSA-N 0 1 377.441 0.880 20 0 GCADMN CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001598660710 994591541 /nfs/dbraw/zinc/59/15/41/994591541.db2.gz QQAYZZYZYRXTPE-SMDDNHRTSA-N 0 1 386.412 0.610 20 0 GCADMN CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001598660710 994591549 /nfs/dbraw/zinc/59/15/49/994591549.db2.gz QQAYZZYZYRXTPE-SMDDNHRTSA-N 0 1 386.412 0.610 20 0 GCADMN COc1cccc([C@H]2C[NH2+]CCN2C(=O)C(=O)NCC(C)(C)CC(=O)[O-])c1 ZINC001599665759 994727557 /nfs/dbraw/zinc/72/75/57/994727557.db2.gz SLTVYJFPHVXKKN-OAHLLOKOSA-N 0 1 377.441 0.785 20 0 GCADMN CNS(=O)(=O)c1ccc(CCC(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cc1 ZINC001598673586 994801650 /nfs/dbraw/zinc/80/16/50/994801650.db2.gz AYROBWZRAXILNZ-CQSZACIVSA-N 0 1 397.497 0.535 20 0 GCADMN C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593315825 994807460 /nfs/dbraw/zinc/80/74/60/994807460.db2.gz CWVBYRXMZNKEOD-HIFRSBDPSA-N 0 1 380.470 0.959 20 0 GCADMN COc1cccc(CCNC(=O)C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC001599671622 994823030 /nfs/dbraw/zinc/82/30/30/994823030.db2.gz FIVULXURLGBRSM-AWEZNQCLSA-N 0 1 377.441 0.361 20 0 GCADMN COc1cccc(CCNC(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC001599671622 994823034 /nfs/dbraw/zinc/82/30/34/994823034.db2.gz FIVULXURLGBRSM-AWEZNQCLSA-N 0 1 377.441 0.361 20 0 GCADMN CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2cc(C)c(C(=O)[O-])o2)c1 ZINC001598675749 994840018 /nfs/dbraw/zinc/84/00/18/994840018.db2.gz IWHQQNCMYQXFHT-UHFFFAOYSA-N 0 1 381.410 0.923 20 0 GCADMN C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001593330770 994897155 /nfs/dbraw/zinc/89/71/55/994897155.db2.gz NXMAZRXYBHAAHQ-IINYFYTJSA-N 0 1 375.878 0.951 20 0 GCADMN C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1)[C@H]1C[N@@H+](C)CCN1C 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DUEPFLQCHUJZIW-JKSUJKDBSA-N 0 1 375.425 0.560 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC001598809868 996221647 /nfs/dbraw/zinc/22/16/47/996221647.db2.gz UIFJVMBGMUQBPK-RZQQEMMASA-N 0 1 390.436 0.346 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)CC[N@@H+](C)C1 ZINC001598816088 996272345 /nfs/dbraw/zinc/27/23/45/996272345.db2.gz ANTWFAMTBDYECT-JTQLQIEISA-N 0 1 384.820 0.679 20 0 GCADMN COC(=O)[C@H]1C[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1C(=O)[O-] ZINC001598820638 996322556 /nfs/dbraw/zinc/32/25/56/996322556.db2.gz IIKCYTSEQYOPTG-CABCVRRESA-N 0 1 390.392 0.105 20 0 GCADMN COC(=O)[C@H]1C[N@@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C(=O)[O-] ZINC001598820639 996322976 /nfs/dbraw/zinc/32/29/76/996322976.db2.gz IIKCYTSEQYOPTG-GJZGRUSLSA-N 0 1 390.392 0.105 20 0 GCADMN COC(=O)[C@@H]1CN([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@@H+](C)C1 ZINC001598821229 996329674 /nfs/dbraw/zinc/32/96/74/996329674.db2.gz XGGASHAODATOIH-BBRMVZONSA-N 0 1 377.441 0.426 20 0 GCADMN COC(=O)[C@@H]1CN(C[C@H](C[N@H+]2CCO[C@@H](C(=O)[O-])C2)C2CCCC2)CCO1 ZINC001598822125 996339841 /nfs/dbraw/zinc/33/98/41/996339841.db2.gz ONWVJIFULOKTNX-BBWFWOEESA-N 0 1 384.473 0.452 20 0 GCADMN C[C@]1(C(N)=O)CC[N@@H+](C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)[O-])C1 ZINC001593815655 996551053 /nfs/dbraw/zinc/55/10/53/996551053.db2.gz NMZOZMIMAKZIBM-LIRRHRJNSA-N 0 1 388.424 0.508 20 0 GCADMN COC(=O)C[C@H]1CN(c2cc(N3CCO[C@H](CC(=O)[O-])C3)nc(C)[nH+]2)CCO1 ZINC001598845100 996558751 /nfs/dbraw/zinc/55/87/51/996558751.db2.gz ZRQKSRQLRVBZFC-KGLIPLIRSA-N 0 1 394.428 0.233 20 0 GCADMN COC(=O)CC[C@@H](C(=O)[O-])[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001598845700 996563574 /nfs/dbraw/zinc/56/35/74/996563574.db2.gz DSVDVVFMDYDZQA-HNNXBMFYSA-N 0 1 384.454 0.789 20 0 GCADMN COC(=O)CC[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC001598847683 996578848 /nfs/dbraw/zinc/57/88/48/996578848.db2.gz MVQDXHKJVOKOJK-ZDUSSCGKSA-N 0 1 378.381 0.580 20 0 GCADMN 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CO[C@@]1(C(=O)[O-])CC[N@@H+](CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)C1 ZINC001599076956 996894547 /nfs/dbraw/zinc/89/45/47/996894547.db2.gz BSISZTWOQMFNEK-SFHVURJKSA-N 0 1 379.413 0.801 20 0 GCADMN COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001599385223 996932393 /nfs/dbraw/zinc/93/23/93/996932393.db2.gz SEXJQEJAZVZEBN-SNVBAGLBSA-N 0 1 378.472 0.580 20 0 GCADMN COc1cc(C(=O)[O-])sc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC001599385223 996932408 /nfs/dbraw/zinc/93/24/08/996932408.db2.gz SEXJQEJAZVZEBN-SNVBAGLBSA-N 0 1 378.472 0.580 20 0 GCADMN COCc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc(C(=O)[O-])c1 ZINC001599284172 996945304 /nfs/dbraw/zinc/94/53/04/996945304.db2.gz GEEVTUOAQLDDCM-UHFFFAOYSA-N 0 1 381.454 0.635 20 0 GCADMN COC(=O)[C@@H]([NH2+]CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1F)C(C)C ZINC001598893887 997042192 /nfs/dbraw/zinc/04/21/92/997042192.db2.gz KEIDQPGTWMTIQL-AWEZNQCLSA-N 0 1 390.433 0.980 20 0 GCADMN COC[C@@]1(C(=O)[O-])CCCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC001599187259 997049366 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20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000737022850 598402044 /nfs/dbraw/zinc/40/20/44/598402044.db2.gz CSFSNKPXXPOZCP-CYBMUJFWSA-N 0 1 389.460 0.006 20 0 GCADMN O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)Nc1nc(-c2ccccn2)n[nH]1 ZINC000737890122 598403846 /nfs/dbraw/zinc/40/38/46/598403846.db2.gz SUROGBXDMHIDTJ-UHFFFAOYSA-N 0 1 390.367 0.415 20 0 GCADMN Cn1ccc(NC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000737613855 598416422 /nfs/dbraw/zinc/41/64/22/598416422.db2.gz RXJPESGANYZLQY-UHFFFAOYSA-N 0 1 384.404 0.820 20 0 GCADMN Cn1cc(CN2CCN(CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000737601797 598427717 /nfs/dbraw/zinc/42/77/17/598427717.db2.gz LFJIMFHDLAQSKD-UHFFFAOYSA-N 0 1 395.471 0.747 20 0 GCADMN COC(=O)[C@H]1C[C@H]1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736906594 598451802 /nfs/dbraw/zinc/45/18/02/598451802.db2.gz GTZHVLOZNJSGGA-CVEARBPZSA-N 0 1 384.440 0.710 20 0 GCADMN CN1CCC[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736858583 598497466 /nfs/dbraw/zinc/49/74/66/598497466.db2.gz UCDZQRKCQUQUEL-AWEZNQCLSA-N 0 1 392.485 0.240 20 0 GCADMN O=S(=O)(Cc1cccc(-c2nn[nH]n2)c1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000738328857 598508813 /nfs/dbraw/zinc/50/88/13/598508813.db2.gz GNPLTGFCRKMJEQ-CABCVRRESA-N 0 1 378.458 0.149 20 0 GCADMN COCCN1CCC[C@H]1CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737006490 598509278 /nfs/dbraw/zinc/50/92/78/598509278.db2.gz YACTXETZBLSQRF-HNNXBMFYSA-N 0 1 380.474 0.397 20 0 GCADMN Cc1cccc(C)c1NC(=O)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737388805 598518966 /nfs/dbraw/zinc/51/89/66/598518966.db2.gz FVTVCXQLUHKZTR-ZDUSSCGKSA-N 0 1 381.444 0.950 20 0 GCADMN CCN1C(=S)N=NC1CNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736713701 598541568 /nfs/dbraw/zinc/54/15/68/598541568.db2.gz LVVBTUPQLITONY-UHFFFAOYSA-N 0 1 393.458 0.519 20 0 GCADMN CC(C)CN1CCO[C@@H](CNC(=O)COc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000735836295 598547240 /nfs/dbraw/zinc/54/72/40/598547240.db2.gz XLYBAOVVDNZIMF-AWEZNQCLSA-N 0 1 392.435 0.858 20 0 GCADMN CC(C)(O)CN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000735677552 598551947 /nfs/dbraw/zinc/55/19/47/598551947.db2.gz DQIPQHXWPUGVAE-UHFFFAOYSA-N 0 1 393.879 0.847 20 0 GCADMN CCS(=O)(=O)N(C)C1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736659597 598558358 /nfs/dbraw/zinc/55/83/58/598558358.db2.gz UQCRHWGMXXWRLW-UHFFFAOYSA-N 0 1 394.501 0.991 20 0 GCADMN CC(C)(NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)NCC1CCCCC1 ZINC000819988040 607360708 /nfs/dbraw/zinc/36/07/08/607360708.db2.gz RBRJMGWAZPXZES-UHFFFAOYSA-N 0 1 375.437 0.050 20 0 GCADMN COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)c1 ZINC000737110215 598675791 /nfs/dbraw/zinc/67/57/91/598675791.db2.gz YBIKRNOWMNCBTC-LLVKDONJSA-N 0 1 384.396 0.923 20 0 GCADMN CS(=O)(=O)c1ccc(OCCCn2cccc(-c3nn[nH]n3)c2=O)cc1 ZINC000737173243 598675882 /nfs/dbraw/zinc/67/58/82/598675882.db2.gz JEZWHSVFUBIBGO-UHFFFAOYSA-N 0 1 375.410 0.901 20 0 GCADMN CN1CCN(C)[C@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736855561 598696078 /nfs/dbraw/zinc/69/60/78/598696078.db2.gz DSXDHNKNGQYHDP-IAGOWNOFSA-N 0 1 384.488 0.198 20 0 GCADMN O=C(C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)NCCc1ccccc1 ZINC000737894643 598714842 /nfs/dbraw/zinc/71/48/42/598714842.db2.gz IRBOXXVRDAAZCH-AWEZNQCLSA-N 0 1 381.444 0.053 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nnn[n-]2)CC1 ZINC000736859324 598718535 /nfs/dbraw/zinc/71/85/35/598718535.db2.gz FFNNHHGDQDFAOT-ZDUSSCGKSA-N 0 1 386.460 0.865 20 0 GCADMN C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736859324 598718540 /nfs/dbraw/zinc/71/85/40/598718540.db2.gz FFNNHHGDQDFAOT-ZDUSSCGKSA-N 0 1 386.460 0.865 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[n-]n2)CC1 ZINC000736859324 598718541 /nfs/dbraw/zinc/71/85/41/598718541.db2.gz FFNNHHGDQDFAOT-ZDUSSCGKSA-N 0 1 386.460 0.865 20 0 GCADMN COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736892946 598719168 /nfs/dbraw/zinc/71/91/68/598719168.db2.gz QMJMPMHRNLCYOQ-CQSZACIVSA-N 0 1 398.423 0.886 20 0 GCADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NC(=O)NC1CCCC1 ZINC000737983497 598721949 /nfs/dbraw/zinc/72/19/49/598721949.db2.gz WPGXCIMHKXSWCB-UHFFFAOYSA-N 0 1 381.396 0.950 20 0 GCADMN Cn1ccnc1CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737614808 598726111 /nfs/dbraw/zinc/72/61/11/598726111.db2.gz ADEVIMHNGLDHRH-UHFFFAOYSA-N 0 1 398.431 0.497 20 0 GCADMN O=C(CN1CCN([C@H]2CCC[C@@H]2O)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737874290 598781716 /nfs/dbraw/zinc/78/17/16/598781716.db2.gz VEHCGJVSPDDVMK-IRXDYDNUSA-N 0 1 385.472 0.014 20 0 GCADMN O=c1cc(CN2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]c2ccnn21 ZINC000738379467 598813649 /nfs/dbraw/zinc/81/36/49/598813649.db2.gz JGAZZLVKRYSGHD-UHFFFAOYSA-N 0 1 391.439 0.521 20 0 GCADMN Cc1nc([C@@H]2CN(CC(=O)Nc3sccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000737453907 599292703 /nfs/dbraw/zinc/29/27/03/599292703.db2.gz SMKZYDAURXFLIZ-JTQLQIEISA-N 0 1 375.418 0.367 20 0 GCADMN Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(F)c(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000737453698 599294402 /nfs/dbraw/zinc/29/44/02/599294402.db2.gz RNZSLBNEFJBCCV-GFCCVEGCSA-N 0 1 394.392 0.195 20 0 GCADMN C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1N(C)C ZINC000736281529 599297830 /nfs/dbraw/zinc/29/78/30/599297830.db2.gz SZPUNACHRWAFTG-SWLSCSKDSA-N 0 1 392.485 0.190 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000737486769 599299380 /nfs/dbraw/zinc/29/93/80/599299380.db2.gz DHFLDMUYVJNLCK-ZBEGNZNMSA-N 0 1 397.487 0.867 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000737486769 599299382 /nfs/dbraw/zinc/29/93/82/599299382.db2.gz DHFLDMUYVJNLCK-ZBEGNZNMSA-N 0 1 397.487 0.867 20 0 GCADMN CC(C)(C)[C@H](CO)[NH2+]CC(=O)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000735590210 599356229 /nfs/dbraw/zinc/35/62/29/599356229.db2.gz WEPMYQUMVPQUSF-AWEZNQCLSA-N 0 1 384.444 0.988 20 0 GCADMN Cc1nc(CN2CCN(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC000737476686 599357757 /nfs/dbraw/zinc/35/77/57/599357757.db2.gz GMKSZRQLADEWAE-UHFFFAOYSA-N 0 1 382.432 0.050 20 0 GCADMN Cc1nc(CN2CCN([C@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000737476802 599358025 /nfs/dbraw/zinc/35/80/25/599358025.db2.gz JEPRLLUJFDOREL-GFCCVEGCSA-N 0 1 396.459 0.438 20 0 GCADMN CN(C)C(=O)c1cccc(CCN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821579958 599380201 /nfs/dbraw/zinc/38/02/01/599380201.db2.gz UDLQRCPEPMEUMK-QGZVFWFLSA-N 0 1 393.451 0.927 20 0 GCADMN O=C(NCCCCN1CCOCC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000823188337 599418379 /nfs/dbraw/zinc/41/83/79/599418379.db2.gz XRXKLFBCTWDQSF-UHFFFAOYSA-N 0 1 377.424 0.917 20 0 GCADMN Cc1nc(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000822444188 599448698 /nfs/dbraw/zinc/44/86/98/599448698.db2.gz GCCAAZOITKIXLK-UHFFFAOYSA-N 0 1 397.443 0.976 20 0 GCADMN C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1ccc(F)cc1-c1nn[nH]n1 ZINC000820753068 599536116 /nfs/dbraw/zinc/53/61/16/599536116.db2.gz WCRMQIRYYOBINQ-DZGCQCFKSA-N 0 1 375.452 0.847 20 0 GCADMN CC(C)(O)CN1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000819991506 599570976 /nfs/dbraw/zinc/57/09/76/599570976.db2.gz HULDTGNJQCFYDD-UHFFFAOYSA-N 0 1 384.444 0.805 20 0 GCADMN C[C@@H](O)CN1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@@H]1C ZINC000820480738 599573110 /nfs/dbraw/zinc/57/31/10/599573110.db2.gz NQGNHXIVZAKLGT-QWHCGFSZSA-N 0 1 384.444 0.804 20 0 GCADMN C[C@@H](O)CN1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C[C@H]1C ZINC000820480736 599573515 /nfs/dbraw/zinc/57/35/15/599573515.db2.gz NQGNHXIVZAKLGT-CHWSQXEVSA-N 0 1 384.444 0.804 20 0 GCADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)N(C)CC1CC1 ZINC000736766848 599593969 /nfs/dbraw/zinc/59/39/69/599593969.db2.gz GDEMDKNEPLYIPF-UHFFFAOYSA-N 0 1 393.517 0.817 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1-c1nnn[n-]1 ZINC000737186107 599604542 /nfs/dbraw/zinc/60/45/42/599604542.db2.gz HAUCNWWOQJJLCY-JTQLQIEISA-N 0 1 393.473 0.387 20 0 GCADMN COC(=O)CCN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1CCOCC1 ZINC000821661501 599645701 /nfs/dbraw/zinc/64/57/01/599645701.db2.gz LWHWQZOTIIBPON-UHFFFAOYSA-N 0 1 388.428 0.849 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)CC[C@H]3C)CC2)o1 ZINC000822423724 599646650 /nfs/dbraw/zinc/64/66/50/599646650.db2.gz NPAPYZAUPZGWLJ-CHWSQXEVSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CC[C@H]3C)CC2)o1 ZINC000822423724 599646653 /nfs/dbraw/zinc/64/66/53/599646653.db2.gz NPAPYZAUPZGWLJ-CHWSQXEVSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)CC[C@H]3C)CC2)o1 ZINC000822423724 599646654 /nfs/dbraw/zinc/64/66/54/599646654.db2.gz NPAPYZAUPZGWLJ-CHWSQXEVSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)COC(=O)/C=C/C3CC3)CC2)o1 ZINC000822423318 599670169 /nfs/dbraw/zinc/67/01/69/599670169.db2.gz JFTNAPCBSOUXIK-SNAWJCMRSA-N 0 1 387.400 0.321 20 0 GCADMN CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N1CCN(c2oc(C)nc2-c2nnn[n-]2)CC1 ZINC000820966422 599690937 /nfs/dbraw/zinc/69/09/37/599690937.db2.gz 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CNS(=O)(=O)C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000831025573 601386542 /nfs/dbraw/zinc/38/65/42/601386542.db2.gz SZIWKQBNZVGQHI-DOMZBBRYSA-N 0 1 383.470 0.403 20 0 GCADMN CC(C)[C@H](CNC(=O)C(=O)Nc1ccccc1CC(=O)[O-])[NH+]1CCN(C)CC1 ZINC000817853272 601466852 /nfs/dbraw/zinc/46/68/52/601466852.db2.gz HMCXNPMTNSZONA-KRWDZBQOSA-N 0 1 390.484 0.640 20 0 GCADMN O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000819585814 601484029 /nfs/dbraw/zinc/48/40/29/601484029.db2.gz KHWZYUQUWDZCRD-UHFFFAOYSA-N 0 1 375.425 0.575 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826425282 607512403 /nfs/dbraw/zinc/51/24/03/607512403.db2.gz WWNXDSWAAZIWPG-UONOGXRCSA-N 0 1 386.391 0.712 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000826425283 607512466 /nfs/dbraw/zinc/51/24/66/607512466.db2.gz WWNXDSWAAZIWPG-ZIAGYGMSSA-N 0 1 386.391 0.712 20 0 GCADMN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)C1=O ZINC000829069236 601528504 /nfs/dbraw/zinc/52/85/04/601528504.db2.gz CKYDDXHVFHTEKN-PTAUBWNISA-N 0 1 388.424 0.527 20 0 GCADMN C[C@H]1C[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C[C@@H]1C(=O)[O-] ZINC000828441384 601528508 /nfs/dbraw/zinc/52/85/08/601528508.db2.gz PYVMMANHRGGLMV-YJBOKZPZSA-N 0 1 375.469 0.788 20 0 GCADMN C[C@@H]1C[N@@H+](CC(=O)N2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)C[C@@H]1C(=O)[O-] ZINC000828430856 601533747 /nfs/dbraw/zinc/53/37/47/601533747.db2.gz DWZWPHAQHJHDPD-SUNKGSAMSA-N 0 1 381.454 0.264 20 0 GCADMN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2)cc(OC)c1 ZINC000818560086 601558469 /nfs/dbraw/zinc/55/84/69/601558469.db2.gz MIKVQXQVMFOXCQ-PBHICJAKSA-N 0 1 393.440 0.773 20 0 GCADMN COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCO[C@H](C(=O)[O-])C3)C2)cc(OC)c1 ZINC000818560086 601558470 /nfs/dbraw/zinc/55/84/70/601558470.db2.gz MIKVQXQVMFOXCQ-PBHICJAKSA-N 0 1 393.440 0.773 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000828168839 601569918 /nfs/dbraw/zinc/56/99/18/601569918.db2.gz RAYMREHJNUMFMT-SMDDNHRTSA-N 0 1 388.424 0.181 20 0 GCADMN C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCO[C@H](CC(=O)[O-])C1 ZINC000825999531 601570590 /nfs/dbraw/zinc/57/05/90/601570590.db2.gz DDMHGKSBOVCDID-BPQIPLTHSA-N 0 1 375.469 0.941 20 0 GCADMN O=C([O-])c1cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc(F)c1F ZINC000833304944 601575535 /nfs/dbraw/zinc/57/55/35/601575535.db2.gz QOKQGDZXTMUGEX-UWVGGRQHSA-N 0 1 376.381 0.805 20 0 GCADMN O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC1(C(=O)[O-])CCCC1 ZINC000833100434 601601905 /nfs/dbraw/zinc/60/19/05/601601905.db2.gz WVAVFKYPXACYDI-HNNXBMFYSA-N 0 1 381.473 0.461 20 0 GCADMN CO[C@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)C(=O)NCC(=O)[O-])CC2)cs1 ZINC000831500727 601611211 /nfs/dbraw/zinc/61/12/11/601611211.db2.gz LZDOMVJCVIDFKK-CHWSQXEVSA-N 0 1 384.502 0.948 20 0 GCADMN CO[C@H](C)c1nc(CN2CCC[N@H+]([C@H](C)C(=O)NCC(=O)[O-])CC2)cs1 ZINC000831500727 601611212 /nfs/dbraw/zinc/61/12/12/601611212.db2.gz LZDOMVJCVIDFKK-CHWSQXEVSA-N 0 1 384.502 0.948 20 0 GCADMN O=C([O-])Cc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000738630695 601616365 /nfs/dbraw/zinc/61/63/65/601616365.db2.gz GTLVOGHOHKNJAB-QGZVFWFLSA-N 0 1 389.452 0.966 20 0 GCADMN CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3ccc(OCC(=O)[O-])cc3)C[C@@H]2C)CC1 ZINC000825839757 601672143 /nfs/dbraw/zinc/67/21/43/601672143.db2.gz GROWJMLDKKQFRG-KSSFIOAISA-N 0 1 389.452 0.775 20 0 GCADMN COC[C@@](C)(NC(=O)c1nnn(-c2cccc3c2CC[N@@H+](C)C3)c1C)C(=O)[O-] ZINC000831628072 601696176 /nfs/dbraw/zinc/69/61/76/601696176.db2.gz WBJDQLQWPTYHFN-LJQANCHMSA-N 0 1 387.440 0.783 20 0 GCADMN O=C(CC[C@H]1NC(=O)NC1=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833097643 601731310 /nfs/dbraw/zinc/73/13/10/601731310.db2.gz QDBQPLISXWAHPR-KUHUBIRLSA-N 0 1 388.424 0.210 20 0 GCADMN O=C(CN1CSCC1=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833109122 601731783 /nfs/dbraw/zinc/73/17/83/601731783.db2.gz HYTUVGRYYGUTRS-SFHVURJKSA-N 0 1 377.466 0.755 20 0 GCADMN O=C([O-])[C@]1(NC(=O)Cc2nc3ncccn3n2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000833120021 601733592 /nfs/dbraw/zinc/73/35/92/601733592.db2.gz ZYLTUVJDCPOFKE-FQEVSTJZSA-N 0 1 394.435 0.902 20 0 GCADMN C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000827461325 601775933 /nfs/dbraw/zinc/77/59/33/601775933.db2.gz UFWNYTRWYIYMHD-CVEARBPZSA-N 0 1 391.472 0.477 20 0 GCADMN CCN1CC[NH+](Cc2ccc(CNS(=O)(=O)C[C@H](C)C(=O)[O-])cc2)CC1 ZINC000829776965 601776171 /nfs/dbraw/zinc/77/61/71/601776171.db2.gz ZLWCKIHIZAWIRF-HNNXBMFYSA-N 0 1 383.514 0.964 20 0 GCADMN C[C@@H](CS(=O)(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C(=O)[O-] ZINC000827558702 601781112 /nfs/dbraw/zinc/78/11/12/601781112.db2.gz QRXACWJCQROZLY-QWHCGFSZSA-N 0 1 375.516 0.677 20 0 GCADMN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])CC1 ZINC000827796481 601840808 /nfs/dbraw/zinc/84/08/08/601840808.db2.gz WECLKRUTWGQHRN-JTQLQIEISA-N 0 1 391.877 0.899 20 0 GCADMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(C(=O)[O-])c(F)c3)CC2)C1 ZINC000830935450 601858115 /nfs/dbraw/zinc/85/81/15/601858115.db2.gz ZKANGEJRDYDGDX-CQSZACIVSA-N 0 1 392.431 0.701 20 0 GCADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000827356171 601862877 /nfs/dbraw/zinc/86/28/77/601862877.db2.gz QECJIEHLKWMNSE-SNVBAGLBSA-N 0 1 391.350 0.391 20 0 GCADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000827354736 601862886 /nfs/dbraw/zinc/86/28/86/601862886.db2.gz HCJXBYAOEOYUQH-DZGCQCFKSA-N 0 1 393.444 0.008 20 0 GCADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cnn(C[C@H]3CCCO3)c2)CC1 ZINC000827354738 601863034 /nfs/dbraw/zinc/86/30/34/601863034.db2.gz HCJXBYAOEOYUQH-UKRRQHHQSA-N 0 1 393.444 0.008 20 0 GCADMN O=C([O-])c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000833153456 601863431 /nfs/dbraw/zinc/86/34/31/601863431.db2.gz ISRAIKRZTRCMCQ-UHFFFAOYSA-N 0 1 379.388 0.786 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000829134172 601863978 /nfs/dbraw/zinc/86/39/78/601863978.db2.gz PHCSRLPPEYOVSX-YPMHNXCESA-N 0 1 381.404 0.766 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC[N@H+]1C[C@@H](C)O ZINC000829134172 601863980 /nfs/dbraw/zinc/86/39/80/601863980.db2.gz PHCSRLPPEYOVSX-YPMHNXCESA-N 0 1 381.404 0.766 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC[N@@H+]1C[C@@H](C)O ZINC000829134170 601864152 /nfs/dbraw/zinc/86/41/52/601864152.db2.gz PHCSRLPPEYOVSX-DGCLKSJQSA-N 0 1 381.404 0.766 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)[O-])c(F)c2)CC[N@H+]1C[C@@H](C)O ZINC000829134170 601864155 /nfs/dbraw/zinc/86/41/55/601864155.db2.gz PHCSRLPPEYOVSX-DGCLKSJQSA-N 0 1 381.404 0.766 20 0 GCADMN COC(=O)c1cccc(N2CC(=O)N(C[N@@H+]3CCC[C@H](C(=O)[O-])C3)C2=O)c1 ZINC000831453684 601882218 /nfs/dbraw/zinc/88/22/18/601882218.db2.gz YALICNQHCBRWCF-ZDUSSCGKSA-N 0 1 375.381 0.996 20 0 GCADMN COC(=O)c1cccc(N2CC(=O)N(C[N@H+]3CCC[C@H](C(=O)[O-])C3)C2=O)c1 ZINC000831453684 601882220 /nfs/dbraw/zinc/88/22/20/601882220.db2.gz YALICNQHCBRWCF-ZDUSSCGKSA-N 0 1 375.381 0.996 20 0 GCADMN COC(=O)[C@@H]1C[N@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C[C@@H]1C ZINC000831118798 601883440 /nfs/dbraw/zinc/88/34/40/601883440.db2.gz FBDRPXPGFVUQEH-SMDDNHRTSA-N 0 1 375.381 0.852 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C[C@@H]1C ZINC000831118798 601883441 /nfs/dbraw/zinc/88/34/41/601883441.db2.gz FBDRPXPGFVUQEH-SMDDNHRTSA-N 0 1 375.381 0.852 20 0 GCADMN COc1ccc(CCN2C(=O)C(=O)N(C[N@H+]3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000832299641 601894849 /nfs/dbraw/zinc/89/48/49/601894849.db2.gz IULCJPFCQHPBDN-LJQANCHMSA-N 0 1 389.408 0.783 20 0 GCADMN COC(=O)[C@@]1(C)CCN(CCS(=O)(=O)CC[N@H+]2CC[C@@](C)(C(=O)[O-])C2)C1 ZINC000831090307 601924078 /nfs/dbraw/zinc/92/40/78/601924078.db2.gz ZRIOKSDNONCARL-SJORKVTESA-N 0 1 390.502 0.083 20 0 GCADMN CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000736366710 601947184 /nfs/dbraw/zinc/94/71/84/601947184.db2.gz DFTDHTAEUBWTGR-KRWDZBQOSA-N 0 1 376.457 0.739 20 0 GCADMN Cc1cccc(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c1-c1nn[nH]n1 ZINC000826304129 607535302 /nfs/dbraw/zinc/53/53/02/607535302.db2.gz XOFHAXZCSVWSAF-UHFFFAOYSA-N 0 1 388.409 0.840 20 0 GCADMN C[C@H]1C[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000398083275 601988803 /nfs/dbraw/zinc/98/88/03/601988803.db2.gz HLFKWXVHDYOLQN-ZFWWWQNUSA-N 0 1 378.454 0.909 20 0 GCADMN CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC1 ZINC000737948766 602118890 /nfs/dbraw/zinc/11/88/90/602118890.db2.gz DOPRNODVJFUXNM-UHFFFAOYSA-N 0 1 376.457 0.394 20 0 GCADMN O=C([O-])Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000819542918 602133321 /nfs/dbraw/zinc/13/33/21/602133321.db2.gz AXTRLKRLXOAVKH-UHFFFAOYSA-N 0 1 375.425 0.575 20 0 GCADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(CC(=O)N1CC[NH+](C)CC1)CC2 ZINC000832103196 602148767 /nfs/dbraw/zinc/14/87/67/602148767.db2.gz OSOVWTZHOMMODP-MRXNPFEDSA-N 0 1 391.468 0.852 20 0 GCADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](CC(=O)N1CCN(C)CC1)CC2 ZINC000832103196 602148770 /nfs/dbraw/zinc/14/87/70/602148770.db2.gz OSOVWTZHOMMODP-MRXNPFEDSA-N 0 1 391.468 0.852 20 0 GCADMN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](CC(=O)N1CCN(C)CC1)CC2 ZINC000832103196 602148774 /nfs/dbraw/zinc/14/87/74/602148774.db2.gz OSOVWTZHOMMODP-MRXNPFEDSA-N 0 1 391.468 0.852 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2C(=O)[O-])CC1 ZINC000830934572 602221808 /nfs/dbraw/zinc/22/18/08/602221808.db2.gz HSNRNHSSRCTPOV-CYBMUJFWSA-N 0 1 399.444 0.451 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935351 602221876 /nfs/dbraw/zinc/22/18/76/602221876.db2.gz WRVMJLDWNSBALN-MRXNPFEDSA-N 0 1 395.481 0.453 20 0 GCADMN Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000832869026 602222406 /nfs/dbraw/zinc/22/24/06/602222406.db2.gz FZBAGLQGKVSDEO-HNNXBMFYSA-N 0 1 395.481 0.620 20 0 GCADMN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000832919293 602222539 /nfs/dbraw/zinc/22/25/39/602222539.db2.gz CCTDZTFPDCTFLJ-HNNXBMFYSA-N 0 1 395.481 0.620 20 0 GCADMN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C(=O)[O-] ZINC000832954801 602222572 /nfs/dbraw/zinc/22/25/72/602222572.db2.gz QNQFIDCPYZVVOQ-INIZCTEOSA-N 0 1 395.481 0.620 20 0 GCADMN C[C@H]1C[N@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828438792 602222845 /nfs/dbraw/zinc/22/28/45/602222845.db2.gz FPFHDXZRHZYWEJ-WCBMZHEXSA-N 0 1 375.834 0.578 20 0 GCADMN C[C@H]1C[N@@H+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000828438792 602222847 /nfs/dbraw/zinc/22/28/47/602222847.db2.gz FPFHDXZRHZYWEJ-WCBMZHEXSA-N 0 1 375.834 0.578 20 0 GCADMN Cc1[nH]c(C(=O)[C@@H](C)N2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1C(=O)[O-] ZINC000832843615 602238798 /nfs/dbraw/zinc/23/87/98/602238798.db2.gz YLJCNHRRXDXZAC-CQSZACIVSA-N 0 1 378.473 0.997 20 0 GCADMN COc1c(F)cc(F)cc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000831852261 602254684 /nfs/dbraw/zinc/25/46/84/602254684.db2.gz UUEYALWBWVDZTE-JTQLQIEISA-N 0 1 385.367 0.919 20 0 GCADMN Cc1c(NC(=O)C(=O)N2CC[NH+](CCC(=O)N(C)C)CC2)cccc1C(=O)[O-] ZINC000832855715 602271057 /nfs/dbraw/zinc/27/10/57/602271057.db2.gz QTZJKFPVCZFMBF-UHFFFAOYSA-N 0 1 390.440 0.254 20 0 GCADMN C[N@@H+](C[C@@H](O)COc1ccc(C(=O)[O-])cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000830706721 602346728 /nfs/dbraw/zinc/34/67/28/602346728.db2.gz RIYNKHZIOIPPON-OAHLLOKOSA-N 0 1 386.470 0.480 20 0 GCADMN CC(C)[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1)[NH+]1CCN(C)CC1 ZINC000826687895 602402486 /nfs/dbraw/zinc/40/24/86/602402486.db2.gz RJDBDKYPNREDGF-INIZCTEOSA-N 0 1 394.447 0.851 20 0 GCADMN C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)N1CCN(C(=O)[O-])CC1 ZINC000736584723 603024856 /nfs/dbraw/zinc/02/48/56/603024856.db2.gz GOHWSOZBRJBRHL-HNNXBMFYSA-N 0 1 376.461 0.597 20 0 GCADMN COCCN1CCC[C@H]1CNS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC000826159919 607606798 /nfs/dbraw/zinc/60/67/98/607606798.db2.gz XPUBAELKVBGGTQ-ZDUSSCGKSA-N 0 1 380.474 0.564 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1ccc(NC(=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000736588998 603154812 /nfs/dbraw/zinc/15/48/12/603154812.db2.gz UTHIYYSFBGRDOC-CYBMUJFWSA-N 0 1 377.445 0.715 20 0 GCADMN C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2-c2nn[n-]n2)CCO1 ZINC000825860296 607618640 /nfs/dbraw/zinc/61/86/40/607618640.db2.gz PBFQZXQPBMHDJK-SNVBAGLBSA-N 0 1 386.865 0.471 20 0 GCADMN O=S(=O)(NCCCN1CCC(O)CC1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826490633 607625650 /nfs/dbraw/zinc/62/56/50/607625650.db2.gz BRVJEPQMSPIYMI-UHFFFAOYSA-N 0 1 384.437 0.131 20 0 GCADMN C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(NC(=O)[O-])cc3)CC2)C1 ZINC000737521428 603421594 /nfs/dbraw/zinc/42/15/94/603421594.db2.gz OBLRPAZVJZGKIL-MRXNPFEDSA-N 0 1 389.456 0.953 20 0 GCADMN C[NH+]1CCN(C(=O)CCNC(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000737515916 603482441 /nfs/dbraw/zinc/48/24/41/603482441.db2.gz QBROLQVSGCYRHT-UHFFFAOYSA-N 0 1 377.445 0.782 20 0 GCADMN CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)N[C@H]3CCCN(C(=O)[O-])C3)C[C@@H]2C)CC1 ZINC000823561420 603748510 /nfs/dbraw/zinc/74/85/10/603748510.db2.gz LVDWFYYNQDHCFB-CWRNSKLLSA-N 0 1 381.477 0.323 20 0 GCADMN Cc1nc([C@H]2CN(S(=O)(=O)c3ccccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000826322235 607652895 /nfs/dbraw/zinc/65/28/95/607652895.db2.gz DKAMAAQWDKFSDK-LLVKDONJSA-N 0 1 376.402 0.055 20 0 GCADMN Cc1cccc(S(=O)(=O)NC[C@@]2(N(C)C)CCSC2)c1-c1nn[nH]n1 ZINC000826302875 607661514 /nfs/dbraw/zinc/66/15/14/607661514.db2.gz VBWGIKLGHQEBNP-HNNXBMFYSA-N 0 1 382.515 0.891 20 0 GCADMN CCO[C@@H](CC[NH+](C)C)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000825577716 607667713 /nfs/dbraw/zinc/66/77/13/607667713.db2.gz ZHOXCNGMCWDWLC-LBPRGKRZSA-N 0 1 386.453 0.641 20 0 GCADMN CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)C[C@@H]2C)CC1 ZINC000825840379 604333872 /nfs/dbraw/zinc/33/38/72/604333872.db2.gz KHMNVPZCJRSDQN-XHDPSFHLSA-N 0 1 376.457 0.954 20 0 GCADMN CC[N@H+]1CCCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)CC1 ZINC000829770367 604374925 /nfs/dbraw/zinc/37/49/25/604374925.db2.gz IKELDODVCCYAPR-UHFFFAOYSA-N 0 1 397.497 0.923 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000580075001 604421451 /nfs/dbraw/zinc/42/14/51/604421451.db2.gz QUDKRPMXGHQOEQ-HNNXBMFYSA-N 0 1 388.424 0.088 20 0 GCADMN CN1CCO[C@@H]2C[N@H+](CC3=C(C(=O)[O-])[C@@H](c4ccccc4)NC(=O)N3C)C[C@H]21 ZINC000830902391 604424577 /nfs/dbraw/zinc/42/45/77/604424577.db2.gz ROLLZWVCBFDBED-QGPMSJSTSA-N 0 1 386.452 0.736 20 0 GCADMN CN1CCO[C@@H]2C[N@@H+](CC3=C(C(=O)[O-])[C@@H](c4ccccc4)NC(=O)N3C)C[C@H]21 ZINC000830902391 604424579 /nfs/dbraw/zinc/42/45/79/604424579.db2.gz ROLLZWVCBFDBED-QGPMSJSTSA-N 0 1 386.452 0.736 20 0 GCADMN C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828251044 604438154 /nfs/dbraw/zinc/43/81/54/604438154.db2.gz AEVWYETUCWBSBI-UONOGXRCSA-N 0 1 390.502 0.320 20 0 GCADMN CN(CCCNC(=O)C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1)c1ccccc1 ZINC000830772173 604438556 /nfs/dbraw/zinc/43/85/56/604438556.db2.gz ADXZZOPIOVDMMP-UHFFFAOYSA-N 0 1 397.497 0.251 20 0 GCADMN C[C@H](NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000827671927 604448009 /nfs/dbraw/zinc/44/80/09/604448009.db2.gz NTUHNSJIGKQBOY-WFASDCNBSA-N 0 1 378.429 0.732 20 0 GCADMN C[C@H](NC(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827671927 604448012 /nfs/dbraw/zinc/44/80/12/604448012.db2.gz NTUHNSJIGKQBOY-WFASDCNBSA-N 0 1 378.429 0.732 20 0 GCADMN COc1cc(OC)cc([C@H](C(=O)[O-])N2CCO[C@H](C[NH+]3CCN(C)CC3)C2)c1 ZINC000832049936 604471159 /nfs/dbraw/zinc/47/11/59/604471159.db2.gz LDUGRAUQEAFBCP-RTBURBONSA-N 0 1 393.484 0.778 20 0 GCADMN CC(C)[C@@H](CNC(=O)C(=O)Nc1cc(C(=O)[O-])cs1)[NH+]1CCN(C)CC1 ZINC000826687794 604472904 /nfs/dbraw/zinc/47/29/04/604472904.db2.gz OBWXOSBQGHOSQT-CYBMUJFWSA-N 0 1 382.486 0.773 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000830934254 604503193 /nfs/dbraw/zinc/50/31/93/604503193.db2.gz CCZUOJYNVMZFFX-INIZCTEOSA-N 0 1 399.451 0.772 20 0 GCADMN CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000829776289 604527903 /nfs/dbraw/zinc/52/79/03/604527903.db2.gz LEUVUMGQRIKYFR-GFCCVEGCSA-N 0 1 382.486 0.775 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000830935283 604554196 /nfs/dbraw/zinc/55/41/96/604554196.db2.gz UWNUSNXQIIMLNP-LBPRGKRZSA-N 0 1 394.453 0.150 20 0 GCADMN C[C@H](NC(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000827609116 604560897 /nfs/dbraw/zinc/56/08/97/604560897.db2.gz FKXNHETXAQAKDD-BBRMVZONSA-N 0 1 393.440 0.704 20 0 GCADMN C[C@H](NC(=O)C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827609116 604560901 /nfs/dbraw/zinc/56/09/01/604560901.db2.gz FKXNHETXAQAKDD-BBRMVZONSA-N 0 1 393.440 0.704 20 0 GCADMN C[C@H](NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000827609171 604561820 /nfs/dbraw/zinc/56/18/20/604561820.db2.gz GSTGENSGYXCDGP-WFASDCNBSA-N 0 1 379.413 0.314 20 0 GCADMN C[C@H](NC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827609171 604561822 /nfs/dbraw/zinc/56/18/22/604561822.db2.gz GSTGENSGYXCDGP-WFASDCNBSA-N 0 1 379.413 0.314 20 0 GCADMN C[NH+]1CCN(C(=O)c2ccc(CNC(=O)NC3CN(C(=O)[O-])C3)cc2)CC1 ZINC000828514079 604568928 /nfs/dbraw/zinc/56/89/28/604568928.db2.gz UFGXHYWNKOETJB-UHFFFAOYSA-N 0 1 375.429 0.236 20 0 GCADMN CCN1CCN(c2ccc(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)cn2)CC1 ZINC000825464239 607699448 /nfs/dbraw/zinc/69/94/48/607699448.db2.gz AJHUSJPHPRLYJM-UHFFFAOYSA-N 0 1 381.444 0.662 20 0 GCADMN C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])nc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000833631832 604701942 /nfs/dbraw/zinc/70/19/42/604701942.db2.gz SJQNERIOGPPDQV-XJKSGUPXSA-N 0 1 382.486 0.426 20 0 GCADMN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833408736 604728077 /nfs/dbraw/zinc/72/80/77/604728077.db2.gz IPHLPPVGIQGHSV-GFCCVEGCSA-N 0 1 399.469 0.175 20 0 GCADMN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)[NH+]1CCC(O)(C(=O)[O-])CC1 ZINC000833408737 604728375 /nfs/dbraw/zinc/72/83/75/604728375.db2.gz IPHLPPVGIQGHSV-LBPRGKRZSA-N 0 1 399.469 0.175 20 0 GCADMN C[C@H](O)C[N@H+]1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C[C@H]1C ZINC000827803992 604753028 /nfs/dbraw/zinc/75/30/28/604753028.db2.gz QMUFFDXMGYWULR-RVKKMQEKSA-N 0 1 375.469 0.411 20 0 GCADMN COC(=O)c1cc(NC(=O)[C@@H](C)N(C)C[C@H]2C[N@H+](C)CCO2)cc(C(=O)[O-])c1 ZINC000831259024 604756869 /nfs/dbraw/zinc/75/68/69/604756869.db2.gz XQDPHTLWSUPCSA-MLGOLLRUSA-N 0 1 393.440 0.761 20 0 GCADMN COC(=O)c1cc(NC(=O)[C@@H](C)N(C)C[C@H]2C[N@@H+](C)CCO2)cc(C(=O)[O-])c1 ZINC000831259024 604756872 /nfs/dbraw/zinc/75/68/72/604756872.db2.gz XQDPHTLWSUPCSA-MLGOLLRUSA-N 0 1 393.440 0.761 20 0 GCADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2Cc1nnnn1-c1ccccc1 ZINC000826294963 607716768 /nfs/dbraw/zinc/71/67/68/607716768.db2.gz LERLTDPENWXDSA-UHFFFAOYSA-N 0 1 386.379 0.909 20 0 GCADMN C[C@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CC1 ZINC000827354331 604867441 /nfs/dbraw/zinc/86/74/41/604867441.db2.gz FERGURPBMVESJM-CQSZACIVSA-N 0 1 385.424 0.818 20 0 GCADMN COc1ccc(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)c(OC)c1C(=O)[O-] ZINC000833734307 604878395 /nfs/dbraw/zinc/87/83/95/604878395.db2.gz VYXGZJMHRMIYHS-UHFFFAOYSA-N 0 1 398.441 0.680 20 0 GCADMN COc1ccc(CN2C(=O)C(=O)N(C[N@H+]3CCC[C@@H]3CC(=O)[O-])C2=O)cc1 ZINC000832315192 604975848 /nfs/dbraw/zinc/97/58/48/604975848.db2.gz VANQONQNUOVRHA-CYBMUJFWSA-N 0 1 375.381 0.883 20 0 GCADMN COc1ccc(CCN2C(=O)C(=O)N(C[N@H+]3CCC[C@@H]3CC(=O)[O-])C2=O)cc1 ZINC000832299477 604980489 /nfs/dbraw/zinc/98/04/89/604980489.db2.gz GJVXEOZQFKFCPS-CQSZACIVSA-N 0 1 389.408 0.925 20 0 GCADMN COc1cc(OC)c(CNC(=O)C[NH+]2CCC([C@H](O)C(=O)[O-])CC2)c(OC)c1 ZINC000833728606 604980888 /nfs/dbraw/zinc/98/08/88/604980888.db2.gz IJIIOFXDYDVINX-SFHVURJKSA-N 0 1 396.440 0.486 20 0 GCADMN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000833414242 604984675 /nfs/dbraw/zinc/98/46/75/604984675.db2.gz JWDRVHNXULSMKR-IAGOWNOFSA-N 0 1 396.532 0.925 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2nc(CCC(=O)[O-])cs2)CC1 ZINC000830935075 604992378 /nfs/dbraw/zinc/99/23/78/604992378.db2.gz OOXHVYSHINWHHP-ZDUSSCGKSA-N 0 1 395.485 0.931 20 0 GCADMN COCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833724115 605025190 /nfs/dbraw/zinc/02/51/90/605025190.db2.gz GSXPZTQUQAIWRT-SNVBAGLBSA-N 0 1 377.850 0.822 20 0 GCADMN COCC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000833724115 605025192 /nfs/dbraw/zinc/02/51/92/605025192.db2.gz GSXPZTQUQAIWRT-SNVBAGLBSA-N 0 1 377.850 0.822 20 0 GCADMN CC(C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CC1 ZINC000833501182 605026457 /nfs/dbraw/zinc/02/64/57/605026457.db2.gz XLHCQPSASSMYMP-UHFFFAOYSA-N 0 1 397.453 0.279 20 0 GCADMN COc1ccc(S(=O)(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1C(=O)[O-] ZINC000833734274 605034784 /nfs/dbraw/zinc/03/47/84/605034784.db2.gz SOXFZXQVQWSVJA-CYBMUJFWSA-N 0 1 386.470 0.909 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C(=O)NC3CN(C(=O)[O-])C3)c2)C[C@H](C)O1 ZINC000833628800 605035447 /nfs/dbraw/zinc/03/54/47/605035447.db2.gz BGHMUDKAQVGDKK-BETUJISGSA-N 0 1 390.440 0.713 20 0 GCADMN C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C(=O)NC3CN(C(=O)[O-])C3)c2)C[C@H](C)O1 ZINC000833628800 605035449 /nfs/dbraw/zinc/03/54/49/605035449.db2.gz BGHMUDKAQVGDKK-BETUJISGSA-N 0 1 390.440 0.713 20 0 GCADMN CC[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])C1 ZINC000833657289 605041453 /nfs/dbraw/zinc/04/14/53/605041453.db2.gz MPSZMLAZYCRVFL-BDAKNGLRSA-N 0 1 376.456 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607211080 /nfs/dbraw/zinc/21/10/80/607211080.db2.gz QTMKCKZFKLZYIU-CYBMUJFWSA-N 0 1 393.455 0.900 20 0 GCADMN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821770388 607211199 /nfs/dbraw/zinc/21/11/99/607211199.db2.gz RQOQMTOAIJHEPN-UHFFFAOYSA-N 0 1 397.399 0.342 20 0 GCADMN CCCS(=O)(=O)Nc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821138905 607211388 /nfs/dbraw/zinc/21/13/88/607211388.db2.gz KFDHFTVTPLPBFO-UHFFFAOYSA-N 0 1 391.417 0.249 20 0 GCADMN CCOc1c(OC)cc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OC ZINC000821390444 607212222 /nfs/dbraw/zinc/21/22/22/607212222.db2.gz XSLHLFGDSOHING-UHFFFAOYSA-N 0 1 388.388 0.191 20 0 GCADMN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821571956 607212262 /nfs/dbraw/zinc/21/22/62/607212262.db2.gz MKMURDQPBLONEG-LLVKDONJSA-N 0 1 391.436 0.316 20 0 GCADMN COc1ccccc1N1CC[C@H](CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821898962 607212627 /nfs/dbraw/zinc/21/26/27/607212627.db2.gz VBYJZWBOHZLNTG-GFCCVEGCSA-N 0 1 383.416 0.110 20 0 GCADMN C[NH+]1CCC(Nc2ccccc2NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821623228 607212706 /nfs/dbraw/zinc/21/27/06/607212706.db2.gz GUHFCOTUCNOBLR-UHFFFAOYSA-N 0 1 382.432 0.603 20 0 GCADMN Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822242717 607212713 /nfs/dbraw/zinc/21/27/13/607212713.db2.gz VINUQZSUPVEUNL-GFCCVEGCSA-N 0 1 399.440 0.307 20 0 GCADMN COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(Br)c1 ZINC000821831930 607213650 /nfs/dbraw/zinc/21/36/50/607213650.db2.gz SVWUUIBBLKJLCH-UHFFFAOYSA-N 0 1 379.178 0.868 20 0 GCADMN CN(C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1)C(=O)OC(C)(C)C ZINC000821596623 607214040 /nfs/dbraw/zinc/21/40/40/607214040.db2.gz PXKJXUWJNJKCBA-LLVKDONJSA-N 0 1 391.436 0.174 20 0 GCADMN O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000823127155 607214581 /nfs/dbraw/zinc/21/45/81/607214581.db2.gz UYODYSUQQLAWBK-HNNXBMFYSA-N 0 1 381.444 0.139 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000823127155 607214582 /nfs/dbraw/zinc/21/45/82/607214582.db2.gz UYODYSUQQLAWBK-HNNXBMFYSA-N 0 1 381.444 0.139 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000823127155 607214583 /nfs/dbraw/zinc/21/45/83/607214583.db2.gz UYODYSUQQLAWBK-HNNXBMFYSA-N 0 1 381.444 0.139 20 0 GCADMN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000819933395 607215079 /nfs/dbraw/zinc/21/50/79/607215079.db2.gz QBSHZQNOXQVCPB-LLVKDONJSA-N 0 1 391.436 0.222 20 0 GCADMN Cc1ccc(Cc2nnc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)s2)cc1 ZINC000822239754 607215187 /nfs/dbraw/zinc/21/51/87/607215187.db2.gz CKFSGGWNLGLRKO-UHFFFAOYSA-N 0 1 382.413 0.848 20 0 GCADMN CC(C)C[C@H](C)Oc1cc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccn1 ZINC000820057314 607215735 /nfs/dbraw/zinc/21/57/35/607215735.db2.gz YCLDYOXXBHEAHL-LBPRGKRZSA-N 0 1 385.432 0.983 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000823136034 607215792 /nfs/dbraw/zinc/21/57/92/607215792.db2.gz GVKWYEURJKYWIO-UHFFFAOYSA-N 0 1 397.380 0.949 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000823136217 607215859 /nfs/dbraw/zinc/21/58/59/607215859.db2.gz OUPQKFILJHLMRG-UHFFFAOYSA-N 0 1 386.376 0.678 20 0 GCADMN COc1cc(F)cc2sc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)nc21 ZINC000821720486 607216050 /nfs/dbraw/zinc/21/60/50/607216050.db2.gz SPZHEAQTULDXQJ-UHFFFAOYSA-N 0 1 375.349 0.854 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(-c2nnc3n2CCCC3)cc1 ZINC000823131345 607216240 /nfs/dbraw/zinc/21/62/40/607216240.db2.gz GFEKWEUBXOOZHF-UHFFFAOYSA-N 0 1 391.399 0.692 20 0 GCADMN COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1Br ZINC000821832016 607216711 /nfs/dbraw/zinc/21/67/11/607216711.db2.gz WGTRHXNJTHJYGP-UHFFFAOYSA-N 0 1 379.178 0.868 20 0 GCADMN CC(C)(C)OC(=O)CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000819927898 607218419 /nfs/dbraw/zinc/21/84/19/607218419.db2.gz ACABGWGOXZJTQM-UHFFFAOYSA-N 0 1 384.400 0.833 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000823136205 607218488 /nfs/dbraw/zinc/21/84/88/607218488.db2.gz OLZRVBFPWRRWKT-KGLIPLIRSA-N 0 1 384.400 0.779 20 0 GCADMN Cc1cc(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)ccc1OCC[NH+]1CCCC1 ZINC000822208454 607218573 /nfs/dbraw/zinc/21/85/73/607218573.db2.gz SOYZVQKMVLPKMI-UHFFFAOYSA-N 0 1 397.443 0.880 20 0 GCADMN C[NH+](C)CCn1ccc2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc21 ZINC000821587341 607218807 /nfs/dbraw/zinc/21/88/07/607218807.db2.gz SHRKJXFBBHDXGF-UHFFFAOYSA-N 0 1 380.416 0.613 20 0 GCADMN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819939656 607219337 /nfs/dbraw/zinc/21/93/37/607219337.db2.gz HRCUJFUVAYGKNN-QWRGUYRKSA-N 0 1 391.436 0.268 20 0 GCADMN CC(C)(C)OC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000819945775 607219967 /nfs/dbraw/zinc/21/99/67/607219967.db2.gz DIZAKTXYCSONLJ-UHFFFAOYSA-N 0 1 384.400 0.730 20 0 GCADMN COc1ccccc1-c1noc([C@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000821882808 607220287 /nfs/dbraw/zinc/22/02/87/607220287.db2.gz LGZOFCZWINGEMF-VIFPVBQESA-N 0 1 396.371 0.394 20 0 GCADMN COc1cccc(-c2noc([C@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)c1 ZINC000821854702 607220403 /nfs/dbraw/zinc/22/04/03/607220403.db2.gz SARUZBUUYVTCDR-VIFPVBQESA-N 0 1 396.371 0.394 20 0 GCADMN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821653938 607220978 /nfs/dbraw/zinc/22/09/78/607220978.db2.gz PESOSPUEPSPTEW-CHWSQXEVSA-N 0 1 388.432 0.429 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000823176582 607221257 /nfs/dbraw/zinc/22/12/57/607221257.db2.gz VRRZKSOFSHKITK-AWEZNQCLSA-N 0 1 395.427 0.269 20 0 GCADMN C[C@H](Cc1ccccc1Br)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820300352 607223566 /nfs/dbraw/zinc/22/35/66/607223566.db2.gz QFQMLHDIFAZOER-SECBINFHSA-N 0 1 391.233 0.968 20 0 GCADMN C[NH+](C)C1CCN(c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)nc2)CC1 ZINC000821583342 607224302 /nfs/dbraw/zinc/22/43/02/607224302.db2.gz RRZPANGOXPBXDK-UHFFFAOYSA-N 0 1 397.447 0.022 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000823123423 607224354 /nfs/dbraw/zinc/22/43/54/607224354.db2.gz YZDYNUXAXRDNJU-UHFFFAOYSA-N 0 1 382.428 0.792 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000826424901 607917696 /nfs/dbraw/zinc/91/76/96/607917696.db2.gz HWBZKHMGWZSZNA-GFCCVEGCSA-N 0 1 378.400 0.499 20 0 GCADMN CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000825658877 607937100 /nfs/dbraw/zinc/93/71/00/607937100.db2.gz LFESKDOOJUHJNK-ZETCQYMHSA-N 0 1 395.413 0.246 20 0 GCADMN COCCN1CCC[C@@H]1CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826159882 608002491 /nfs/dbraw/zinc/00/24/91/608002491.db2.gz WJXBCVREYUZTNB-CQSZACIVSA-N 0 1 398.464 0.536 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)C2CCCCC2)c1-c1nnn[n-]1 ZINC000826077684 608019675 /nfs/dbraw/zinc/01/96/75/608019675.db2.gz QKGVGXRPDOWKQN-UHFFFAOYSA-N 0 1 389.464 0.377 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)C2CCCCC2)c1-c1nn[n-]n1 ZINC000826077684 608019676 /nfs/dbraw/zinc/01/96/76/608019676.db2.gz QKGVGXRPDOWKQN-UHFFFAOYSA-N 0 1 389.464 0.377 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN2Cc3ccccc3C2=O)c1-c1nnn[n-]1 ZINC000826077378 608019717 /nfs/dbraw/zinc/01/97/17/608019717.db2.gz GKLWAJVGXNMYJG-UHFFFAOYSA-N 0 1 395.427 0.336 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN2Cc3ccccc3C2=O)c1-c1nn[n-]n1 ZINC000826077378 608019718 /nfs/dbraw/zinc/01/97/18/608019718.db2.gz GKLWAJVGXNMYJG-UHFFFAOYSA-N 0 1 395.427 0.336 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCOC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826077812 608019923 /nfs/dbraw/zinc/01/99/23/608019923.db2.gz WSEMLSPVGWVXSJ-NSHDSACASA-N 0 1 378.437 0.266 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCOC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826077812 608019924 /nfs/dbraw/zinc/01/99/24/608019924.db2.gz WSEMLSPVGWVXSJ-NSHDSACASA-N 0 1 378.437 0.266 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2COc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826077863 608020016 /nfs/dbraw/zinc/02/00/16/608020016.db2.gz YBFKEVDLFMKHQY-LBPRGKRZSA-N 0 1 382.428 0.932 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2COc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826077863 608020017 /nfs/dbraw/zinc/02/00/17/608020017.db2.gz YBFKEVDLFMKHQY-LBPRGKRZSA-N 0 1 382.428 0.932 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1-c1nnn[n-]1 ZINC000826077134 608020386 /nfs/dbraw/zinc/02/03/86/608020386.db2.gz BBFGQMWEDKCWMC-CYBMUJFWSA-N 0 1 396.411 0.462 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1-c1nn[n-]n1 ZINC000826077134 608020387 /nfs/dbraw/zinc/02/03/87/608020387.db2.gz BBFGQMWEDKCWMC-CYBMUJFWSA-N 0 1 396.411 0.462 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c[nH]nc2-c2cccnc2)c1-c1nn[n-]n1 ZINC000826077636 608020627 /nfs/dbraw/zinc/02/06/27/608020627.db2.gz OYZJFVHUTYWYFY-UHFFFAOYSA-N 0 1 393.415 0.779 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCS(=O)(=O)CC(C)C)c1-c1nnn[n-]1 ZINC000826077681 608020680 /nfs/dbraw/zinc/02/06/80/608020680.db2.gz QIMLSUBLFBDYDD-UHFFFAOYSA-N 0 1 398.493 0.141 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCS(=O)(=O)CC(C)C)c1-c1nn[n-]n1 ZINC000826077681 608020681 /nfs/dbraw/zinc/02/06/81/608020681.db2.gz QIMLSUBLFBDYDD-UHFFFAOYSA-N 0 1 398.493 0.141 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(NC(C)=O)cc2)c1-c1nnn[n-]1 ZINC000826077349 608021360 /nfs/dbraw/zinc/02/13/60/608021360.db2.gz FCKBKBOCCHTVDF-UHFFFAOYSA-N 0 1 397.443 0.881 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc(NC(C)=O)cc2)c1-c1nn[n-]n1 ZINC000826077349 608021361 /nfs/dbraw/zinc/02/13/61/608021361.db2.gz FCKBKBOCCHTVDF-UHFFFAOYSA-N 0 1 397.443 0.881 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN2CCCCCCC2=O)c1-c1nnn[n-]1 ZINC000826077110 608021774 /nfs/dbraw/zinc/02/17/74/608021774.db2.gz AKUHDXUFKTXULI-UHFFFAOYSA-N 0 1 389.464 0.473 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN2CCCCCCC2=O)c1-c1nn[n-]n1 ZINC000826077110 608021775 /nfs/dbraw/zinc/02/17/75/608021775.db2.gz AKUHDXUFKTXULI-UHFFFAOYSA-N 0 1 389.464 0.473 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826073182 608021926 /nfs/dbraw/zinc/02/19/26/608021926.db2.gz IPDBMXPYGJYBSD-VIFPVBQESA-N 0 1 393.452 0.594 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826073182 608021927 /nfs/dbraw/zinc/02/19/27/608021927.db2.gz IPDBMXPYGJYBSD-VIFPVBQESA-N 0 1 393.452 0.594 20 0 GCADMN CNC(=O)c1cccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)c1 ZINC000826083416 608022461 /nfs/dbraw/zinc/02/24/61/608022461.db2.gz LBWFCWGCDZTCJJ-UHFFFAOYSA-N 0 1 383.416 0.354 20 0 GCADMN CNC(=O)c1cccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)c1 ZINC000826083416 608022462 /nfs/dbraw/zinc/02/24/62/608022462.db2.gz LBWFCWGCDZTCJJ-UHFFFAOYSA-N 0 1 383.416 0.354 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COCc1cccs1 ZINC000825933674 608035800 /nfs/dbraw/zinc/03/58/00/608035800.db2.gz FLWOLSILBZPMKP-LLVKDONJSA-N 0 1 392.489 0.676 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COCc1cccs1 ZINC000825933674 608035801 /nfs/dbraw/zinc/03/58/01/608035801.db2.gz FLWOLSILBZPMKP-LLVKDONJSA-N 0 1 392.489 0.676 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COCc1cccs1 ZINC000825933674 608035802 /nfs/dbraw/zinc/03/58/02/608035802.db2.gz FLWOLSILBZPMKP-LLVKDONJSA-N 0 1 392.489 0.676 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COCc1cccs1 ZINC000825933674 608035803 /nfs/dbraw/zinc/03/58/03/608035803.db2.gz FLWOLSILBZPMKP-LLVKDONJSA-N 0 1 392.489 0.676 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COCc1ccco1 ZINC000825935247 608037104 /nfs/dbraw/zinc/03/71/04/608037104.db2.gz XJZDBCFYSWIOBI-LLVKDONJSA-N 0 1 376.421 0.207 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COCc1ccco1 ZINC000825935247 608037105 /nfs/dbraw/zinc/03/71/05/608037105.db2.gz XJZDBCFYSWIOBI-LLVKDONJSA-N 0 1 376.421 0.207 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COCc1ccco1 ZINC000825935247 608037106 /nfs/dbraw/zinc/03/71/06/608037106.db2.gz XJZDBCFYSWIOBI-LLVKDONJSA-N 0 1 376.421 0.207 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COCc1ccco1 ZINC000825935247 608037107 /nfs/dbraw/zinc/03/71/07/608037107.db2.gz XJZDBCFYSWIOBI-LLVKDONJSA-N 0 1 376.421 0.207 20 0 GCADMN C[C@@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(-c2ccccc2)no1 ZINC000824420977 608037707 /nfs/dbraw/zinc/03/77/07/608037707.db2.gz RHCSQDFYWMMVFM-JTQLQIEISA-N 0 1 380.372 0.428 20 0 GCADMN C[C@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(-c2ccccc2)no1 ZINC000824420978 608037745 /nfs/dbraw/zinc/03/77/45/608037745.db2.gz RHCSQDFYWMMVFM-SNVBAGLBSA-N 0 1 380.372 0.428 20 0 GCADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC(O)(C(F)(F)F)CC1 ZINC000826503871 608040210 /nfs/dbraw/zinc/04/02/10/608040210.db2.gz IHURTJMBHQZACF-LBPRGKRZSA-N 0 1 387.362 0.996 20 0 GCADMN C[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H]1[NH+](C)C ZINC000824984166 608086954 /nfs/dbraw/zinc/08/69/54/608086954.db2.gz HEFPVRUQNMNZGI-CZUORRHYSA-N 0 1 395.471 0.873 20 0 GCADMN C[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H]1[NH+](C)C ZINC000824984166 608086955 /nfs/dbraw/zinc/08/69/55/608086955.db2.gz HEFPVRUQNMNZGI-CZUORRHYSA-N 0 1 395.471 0.873 20 0 GCADMN 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/nfs/dbraw/zinc/19/37/03/608193703.db2.gz BBEUPBLSFJXAFF-GXFFZTMASA-N 0 1 375.433 0.788 20 0 GCADMN CCNS(=O)(=O)[C@H]1CCN(CCC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000825476402 608210501 /nfs/dbraw/zinc/21/05/01/608210501.db2.gz JAXCSXNEXRVFII-JTQLQIEISA-N 0 1 399.502 0.270 20 0 GCADMN CCNS(=O)(=O)[C@@H]1CCN(Cc2cn3ccccc3c2-c2nn[nH]n2)C1 ZINC000825476330 608211805 /nfs/dbraw/zinc/21/18/05/608211805.db2.gz GPKOQMDMYPPVIR-CYBMUJFWSA-N 0 1 375.458 0.633 20 0 GCADMN Nc1nc(-n2cccn2)cc(N2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)n1 ZINC000826396195 608222502 /nfs/dbraw/zinc/22/25/02/608222502.db2.gz MDFKTOAPKPOYRC-UHFFFAOYSA-N 0 1 390.415 0.146 20 0 GCADMN O=C(N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)[C@@]1(O)CCSC1 ZINC000826426669 608231325 /nfs/dbraw/zinc/23/13/25/608231325.db2.gz SWKDCVLFVGQSEY-MRXNPFEDSA-N 0 1 391.457 0.249 20 0 GCADMN C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824968951 608316490 /nfs/dbraw/zinc/31/64/90/608316490.db2.gz RDOYXBITXBRFFX-KBPBESRZSA-N 0 1 381.444 0.580 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C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nnc[nH]1 ZINC000824499947 609205746 /nfs/dbraw/zinc/20/57/46/609205746.db2.gz SZTYAPGFCDSMKT-ZWNOBZJWSA-N 0 1 396.415 0.541 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCSCc1ccnc(Cl)c1 ZINC000826425468 609263539 /nfs/dbraw/zinc/26/35/39/609263539.db2.gz FRKJQBIXKBRGBH-UHFFFAOYSA-N 0 1 379.837 0.556 20 0 GCADMN COC(=O)C1(NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)CCCC1 ZINC000826123728 609298546 /nfs/dbraw/zinc/29/85/46/609298546.db2.gz IKUNMLKTOINZFY-UHFFFAOYSA-N 0 1 378.414 0.905 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000825929860 609298905 /nfs/dbraw/zinc/29/89/05/609298905.db2.gz MSJFNTQTONKYLW-UHFFFAOYSA-N 0 1 390.496 0.620 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000825929860 609298906 /nfs/dbraw/zinc/29/89/06/609298906.db2.gz MSJFNTQTONKYLW-UHFFFAOYSA-N 0 1 390.496 0.620 20 0 GCADMN COCCN(CC[NH+](C)C)C(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000826158285 609299901 /nfs/dbraw/zinc/29/99/01/609299901.db2.gz IUJVGBITDREASF-UHFFFAOYSA-N 0 1 381.462 0.339 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000825929584 609300829 /nfs/dbraw/zinc/30/08/29/609300829.db2.gz JECOCFZLSZGIOY-AAEUAGOBSA-N 0 1 388.480 0.373 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000825929584 609300831 /nfs/dbraw/zinc/30/08/31/609300831.db2.gz JECOCFZLSZGIOY-AAEUAGOBSA-N 0 1 388.480 0.373 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000825929584 609300833 /nfs/dbraw/zinc/30/08/33/609300833.db2.gz JECOCFZLSZGIOY-AAEUAGOBSA-N 0 1 388.480 0.373 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000825929584 609300835 /nfs/dbraw/zinc/30/08/35/609300835.db2.gz JECOCFZLSZGIOY-AAEUAGOBSA-N 0 1 388.480 0.373 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CSc3cccnn3)CC2)o1 ZINC000826323097 609310659 /nfs/dbraw/zinc/31/06/59/609310659.db2.gz PSKZWPLLTAHFAB-UHFFFAOYSA-N 0 1 387.429 0.394 20 0 GCADMN Cn1cc(CN[C@H]2CCCS(=O)(=O)C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361268 609340172 /nfs/dbraw/zinc/34/01/72/609340172.db2.gz RDOMDNOCVBTGMR-HNNXBMFYSA-N 0 1 387.469 0.934 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000826425592 609399763 /nfs/dbraw/zinc/39/97/63/609399763.db2.gz KNESRLPHXPMMBE-SECBINFHSA-N 0 1 391.798 0.646 20 0 GCADMN CC[C@@](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)(C(N)=O)C(C)C ZINC000825133862 609433275 /nfs/dbraw/zinc/43/32/75/609433275.db2.gz QTSNZWHVUICVAX-HNNXBMFYSA-N 0 1 379.446 0.709 20 0 GCADMN CCCNC(=O)C[C@H](C(N)=O)N(CCC)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000825326841 609439423 /nfs/dbraw/zinc/43/94/23/609439423.db2.gz FNVZAAMMZKLYCT-OAHLLOKOSA-N 0 1 391.451 0.988 20 0 GCADMN COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000826189440 609468485 /nfs/dbraw/zinc/46/84/85/609468485.db2.gz VSJQOISAUPYCHW-OAHLLOKOSA-N 0 1 397.443 0.420 20 0 GCADMN CN(C)CCN(CCOCCO)S(=O)(=O)C[C@]1(C)CC1(Cl)Cl ZINC000866841654 638429196 /nfs/dbraw/zinc/42/91/96/638429196.db2.gz JSKCVUFYXUBFNF-LBPRGKRZSA-N 0 1 377.334 0.773 20 0 GCADMN C[C@@H]1CN(CCCNC(=O)C(=O)NCC[S@](=O)C(C)(C)C)C[C@@H](C)O1 ZINC000806195185 638450891 /nfs/dbraw/zinc/45/08/91/638450891.db2.gz AQFZCIDKACMAIU-IEBYYPBYSA-N 0 1 375.535 0.265 20 0 GCADMN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC[S@@](=O)C(C)(C)C ZINC000806196823 638451013 /nfs/dbraw/zinc/45/10/13/638451013.db2.gz PTDGQBBWDQJPIV-HWRSSNJWSA-N 0 1 375.535 0.219 20 0 GCADMN Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)CSc1n[nH]c(=S)s1)C2 ZINC000891100919 638463895 /nfs/dbraw/zinc/46/38/95/638463895.db2.gz WQTPJBHBZKSREU-QMMMGPOBSA-N 0 1 399.527 0.318 20 0 GCADMN C[C@@H](Sc1nc(CC(=O)N2CCN(C)CCN(C)CC2)cs1)C(N)=O ZINC000888977554 638482256 /nfs/dbraw/zinc/48/22/56/638482256.db2.gz GVXUSGOZXILLKM-GFCCVEGCSA-N 0 1 385.559 0.357 20 0 GCADMN Cn1nc(I)cc1C(=O)N1CCN(C)CCN(C)CC1 ZINC000888977581 638482335 /nfs/dbraw/zinc/48/23/35/638482335.db2.gz 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HGOUIZFCWKQJLE-TUVASFSCSA-N 0 1 380.489 0.853 20 0 GCADMN CC(C)N(CC(=O)N[C@@H](CO)Cc1cnc[nH]1)S(=O)(=O)c1ccccc1 ZINC001182618058 1205877888 /nfs/dbraw/zinc/87/78/88/1205877888.db2.gz BJPWTMPIQDZBNH-OAHLLOKOSA-N 0 1 380.470 0.529 20 0 GCADMN O=C(c1[nH]nc2c1CN(C(=O)[C@@H](O)c1ccc3c(c1)CCO3)C2)N1CCOCC1 ZINC001182658452 1205878350 /nfs/dbraw/zinc/87/83/50/1205878350.db2.gz JNPBZABTLPLHSB-SFHVURJKSA-N 0 1 398.419 0.393 20 0 GCADMN CC(C)COCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1CCCC1=O ZINC001110320685 1205879074 /nfs/dbraw/zinc/87/90/74/1205879074.db2.gz GYTCNALBTNCAQJ-TVFCKZIOSA-N 0 1 381.517 0.754 20 0 GCADMN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)C12CCC(CO)(CC1)CC2 ZINC001182703679 1205879081 /nfs/dbraw/zinc/87/90/81/1205879081.db2.gz ZZCOTRNJUCAGRS-UHFFFAOYSA-N 0 1 397.497 0.941 20 0 GCADMN O=C(CC[C@@H]1NC(=S)N(c2ccccc2)C1=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001182857621 1205881745 /nfs/dbraw/zinc/88/17/45/1205881745.db2.gz JWQVCMCQYFYOFO-HIFRSBDPSA-N 0 1 387.465 0.499 20 0 GCADMN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](CO)Cc1cnc[nH]1 ZINC001182873785 1205882207 /nfs/dbraw/zinc/88/22/07/1205882207.db2.gz YQPZAKMMCZHAIK-GXFFZTMASA-N 0 1 386.861 0.450 20 0 GCADMN C[C@](O)(C(=O)N(Cc1noc2c1CNCC2)S(C)(=O)=O)c1ccccc1 ZINC001182929192 1205884100 /nfs/dbraw/zinc/88/41/00/1205884100.db2.gz SZTSSOGEDUEXQH-QGZVFWFLSA-N 0 1 379.438 0.516 20 0 GCADMN CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(C(=O)[C@@H]3CCNC3=O)C2)CC1 ZINC001183001184 1205884741 /nfs/dbraw/zinc/88/47/41/1205884741.db2.gz JLMBTRIPOSXKHI-LSDHHAIUSA-N 0 1 380.489 0.713 20 0 GCADMN Cn1[nH]cnc1=NC(=O)C1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001183131207 1205887245 /nfs/dbraw/zinc/88/72/45/1205887245.db2.gz CAOYGNHJAYZZIP-AWEZNQCLSA-N 0 1 378.477 0.897 20 0 GCADMN CC(=O)N1CSC[C@H]1C(=O)N1CCCC12CCN(CC(=O)N(C)C)CC2 ZINC001183139522 1205887360 /nfs/dbraw/zinc/88/73/60/1205887360.db2.gz GEYLDNCCAKVKSL-HNNXBMFYSA-N 0 1 382.530 0.453 20 0 GCADMN CC(=O)N1CSC[C@H]1C(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001183136617 1205887891 /nfs/dbraw/zinc/88/78/91/1205887891.db2.gz CCIFVRSMYLUPJN-AWEZNQCLSA-N 0 1 388.453 0.565 20 0 GCADMN CC(=O)SC[C@@H](C)C(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001183137449 1205888184 /nfs/dbraw/zinc/88/81/84/1205888184.db2.gz XVHHZGKBNIWGBT-GFCCVEGCSA-N 0 1 385.511 0.848 20 0 GCADMN CC(C)C1OCC(C(=O)N(Cc2noc3c2CNCC3)S(C)(=O)=O)CO1 ZINC001183176285 1205888323 /nfs/dbraw/zinc/88/83/23/1205888323.db2.gz OJPZKPUHLIIPLK-UHFFFAOYSA-N 0 1 387.458 0.254 20 0 GCADMN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)C(O)C(F)(F)F)CC2 ZINC001183198694 1205888461 /nfs/dbraw/zinc/88/84/61/1205888461.db2.gz VKDYNPGPKSDTIM-MFKMUULPSA-N 0 1 390.362 0.456 20 0 GCADMN O=C(N[C@@H]1CN(C(=O)C(O)C(F)(F)F)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001183197747 1205888882 /nfs/dbraw/zinc/88/88/82/1205888882.db2.gz BDDRTVHCEAWLAN-CRWXNKLISA-N 0 1 387.358 0.741 20 0 GCADMN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)[C@H](O)C(F)(F)F)c1ccnnc1 ZINC001183200131 1205889676 /nfs/dbraw/zinc/88/96/76/1205889676.db2.gz JTIANUXHXXBTJJ-SQNXGDPESA-N 0 1 388.346 0.136 20 0 GCADMN O=C(C(O)C(F)(F)F)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001183199545 1205889770 /nfs/dbraw/zinc/88/97/70/1205889770.db2.gz HTXNXDBERHNKKR-AWEZNQCLSA-N 0 1 385.386 0.903 20 0 GCADMN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)[C@H](O)C(F)(F)F)c1ccnnc1 ZINC001183200124 1205889799 /nfs/dbraw/zinc/88/97/99/1205889799.db2.gz JTIANUXHXXBTJJ-BQUFFADESA-N 0 1 388.346 0.136 20 0 GCADMN Cc1cccc(CC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1C ZINC001183265207 1205890621 /nfs/dbraw/zinc/89/06/21/1205890621.db2.gz SLCXNJNXRBVRDP-ROUUACIJSA-N 0 1 397.479 0.773 20 0 GCADMN CCOC(=O)N1CCN(S(=O)(=O)Nc2cnn(-c3ccccc3)n2)CC1 ZINC000774620967 1205891558 /nfs/dbraw/zinc/89/15/58/1205891558.db2.gz IGWPADPNJQMZGZ-UHFFFAOYSA-N 0 1 380.430 0.698 20 0 GCADMN CS(=O)(=O)CCNC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O ZINC001183423780 1205892155 /nfs/dbraw/zinc/89/21/55/1205892155.db2.gz WWSQZURHQAWGPM-UHFFFAOYSA-N 0 1 385.829 0.484 20 0 GCADMN CCNC(=O)CN(C)C(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O ZINC001183423168 1205892160 /nfs/dbraw/zinc/89/21/60/1205892160.db2.gz OSFHJUSKTZGGTQ-UHFFFAOYSA-N 0 1 378.816 0.918 20 0 GCADMN O=C(CNC(=O)c1nc(Cl)c2ccccc2c1O)NC[C@@H]1CNC(=O)C1 ZINC001183425544 1205892299 /nfs/dbraw/zinc/89/22/99/1205892299.db2.gz JLHTVLGAJHXECO-VIFPVBQESA-N 0 1 376.800 0.576 20 0 GCADMN C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O ZINC001183426835 1205892303 /nfs/dbraw/zinc/89/23/03/1205892303.db2.gz XQBLQJKIXVPIGO-VIFPVBQESA-N 0 1 376.800 0.671 20 0 GCADMN O=C(CNC(=O)c1nc(Cl)c2ccccc2c1O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001183425566 1205892366 /nfs/dbraw/zinc/89/23/66/1205892366.db2.gz QTNDDBBYCUITJI-GXFFZTMASA-N 0 1 393.827 0.525 20 0 GCADMN C[C@@H](O)[C@H]1C(=O)N2C(C(=O)Nc3cccnc3CN)=C([C@H]3CCCO3)S[C@H]12 ZINC001183462296 1205893292 /nfs/dbraw/zinc/89/32/92/1205893292.db2.gz VCILRWALSSMMFU-VUEVPFMTSA-N 0 1 390.465 0.782 20 0 GCADMN Cc1nc(CNC(=O)C2=C([C@H]3CCCO3)S[C@@H]3[C@@H]([C@@H](C)O)C(=O)N23)n[nH]1 ZINC001183463612 1205893388 /nfs/dbraw/zinc/89/33/88/1205893388.db2.gz KTZCUCANZDXULN-AMSWVYNTSA-N 0 1 379.442 0.032 20 0 GCADMN CO[C@@H]1CCN(C(=O)C2=C[C@](C)(O)C=C[C@@H]2O)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001183541754 1205894385 /nfs/dbraw/zinc/89/43/85/1205894385.db2.gz VWYOKCWECSSAFB-DNVBULBTSA-N 0 1 399.491 0.737 20 0 GCADMN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2C=CN=C4N=CC=C42)CC3)CC1 ZINC001183587592 1205896016 /nfs/dbraw/zinc/89/60/16/1205896016.db2.gz HMGJUNYSCQOTTI-QGZVFWFLSA-N 0 1 379.468 0.526 20 0 GCADMN O=C(Cc1nccnc1Cl)N1CCc2[nH]nc(C(=O)NCC(F)F)c2C1 ZINC001273481815 1205896860 /nfs/dbraw/zinc/89/68/60/1205896860.db2.gz RPYJBOCDDPYMOG-UHFFFAOYSA-N 0 1 384.774 0.975 20 0 GCADMN O=C(Cn1cc(F)c(=O)[nH]c1=O)N1CC[C@@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001183656732 1205897873 /nfs/dbraw/zinc/89/78/73/1205897873.db2.gz JXQOZSVKOZWPCC-WCQYABFASA-N 0 1 393.444 0.668 20 0 GCADMN O=C(c1[nH]nc2c1CN(C(=O)[C@@H]1CCN1Cc1ccccc1)C2)N1CCOCC1 ZINC001183749127 1205900164 /nfs/dbraw/zinc/90/01/64/1205900164.db2.gz IITAMIRMJHADGX-SFHVURJKSA-N 0 1 395.463 0.999 20 0 GCADMN C/C(=C/C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001110340816 1205901144 /nfs/dbraw/zinc/90/11/44/1205901144.db2.gz XDDGWHDERSIHNX-QFYHVOQWSA-N 0 1 375.469 0.574 20 0 GCADMN C/C(=C/C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1C(=O)CCC1=O)C1CC1 ZINC001110340816 1205901145 /nfs/dbraw/zinc/90/11/45/1205901145.db2.gz XDDGWHDERSIHNX-QFYHVOQWSA-N 0 1 375.469 0.574 20 0 GCADMN CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(C)=O ZINC001183879448 1205901977 /nfs/dbraw/zinc/90/19/77/1205901977.db2.gz TVNNEYLPSFMIET-KBPBESRZSA-N 0 1 396.444 0.237 20 0 GCADMN O=C([C@H](O)Cc1ccc(O)cc1)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001183898657 1205902120 /nfs/dbraw/zinc/90/21/20/1205902120.db2.gz VZHLBRDRHPNBQE-QGZVFWFLSA-N 0 1 395.419 0.953 20 0 GCADMN O=C(NCc1nnc([C@H]2CCOC2)[nH]1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001183986769 1205903001 /nfs/dbraw/zinc/90/30/01/1205903001.db2.gz FTMSAQGTYARNLA-ZDUSSCGKSA-N 0 1 391.453 0.779 20 0 GCADMN O=C(NCc1n[nH]c([C@H]2CCOC2)n1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC001183986769 1205903002 /nfs/dbraw/zinc/90/30/02/1205903002.db2.gz FTMSAQGTYARNLA-ZDUSSCGKSA-N 0 1 391.453 0.779 20 0 GCADMN O=C(NCc1nnc([C@@H]2CCOC2)[nH]1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001183986890 1205903131 /nfs/dbraw/zinc/90/31/31/1205903131.db2.gz HNQNHMRGNLHECG-CYBMUJFWSA-N 0 1 384.396 0.290 20 0 GCADMN O=C(NCc1n[nH]c([C@@H]2CCOC2)n1)c1ccc(CN2C(=O)CNC2=O)cc1 ZINC001183986890 1205903132 /nfs/dbraw/zinc/90/31/32/1205903132.db2.gz HNQNHMRGNLHECG-CYBMUJFWSA-N 0 1 384.396 0.290 20 0 GCADMN C[C@H](C[NH2+]Cc1nc(CS(C)(=O)=O)n[n-]1)c1ccc(S(C)(=O)=O)cc1 ZINC001184024384 1205903642 /nfs/dbraw/zinc/90/36/42/1205903642.db2.gz ZBWBHMIYUYVONU-LLVKDONJSA-N 0 1 386.499 0.646 20 0 GCADMN CN1CCN(Cc2cn3c(n2)CN(C(=O)C[C@@H](O)C(F)(F)F)CC3)CC1 ZINC001184028800 1205903740 /nfs/dbraw/zinc/90/37/40/1205903740.db2.gz JAUDDQWMMPVRIN-CYBMUJFWSA-N 0 1 375.395 0.286 20 0 GCADMN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@@H](O)Cc1cccc(F)c1 ZINC001184151621 1205905489 /nfs/dbraw/zinc/90/54/89/1205905489.db2.gz PKDSLKHMOJOCNK-HNNXBMFYSA-N 0 1 397.428 0.351 20 0 GCADMN CCOC(=O)C1=C(O)CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)OC)CC1 ZINC001184176069 1205905581 /nfs/dbraw/zinc/90/55/81/1205905581.db2.gz IEBDTKYBSMWVSD-OCCSQVGLSA-N 0 1 386.445 0.897 20 0 GCADMN CCOC(=O)N1C[C@@H](CO)[C@@H](NCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC001184227355 1205906588 /nfs/dbraw/zinc/90/65/88/1205906588.db2.gz BAUFDFVPOSBPLD-AAEUAGOBSA-N 0 1 391.877 0.526 20 0 GCADMN CN(C)c1cccc2c1cccc2S(=O)(=O)NCC(=O)NCc1nn[nH]n1 ZINC001184235200 1205906825 /nfs/dbraw/zinc/90/68/25/1205906825.db2.gz BDKBUGPMWIJWEP-UHFFFAOYSA-N 0 1 389.441 0.014 20 0 GCADMN CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)C(=O)Cc1ccc(O)c(OC)c1 ZINC001184250456 1205907085 /nfs/dbraw/zinc/90/70/85/1205907085.db2.gz BTVOPJYEFZLZQT-QGZVFWFLSA-N 0 1 387.392 0.925 20 0 GCADMN CCOC(=O)C1=C(O)CCN(C(=O)C(=O)Cc2ccc(O)c(OC)c2)CC1 ZINC001184251837 1205907257 /nfs/dbraw/zinc/90/72/57/1205907257.db2.gz PXDGZFBYWHRMMA-ZDUSSCGKSA-N 0 1 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OOUBQNDEBJFSOB-ZANVPECISA-N 0 1 388.457 0.910 20 0 GCADMN Cc1nnc(CC(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)o1 ZINC001571289918 946022512 /nfs/dbraw/zinc/02/25/12/946022512.db2.gz PSWGWAFOIWUNOJ-UHFFFAOYSA-N 0 1 388.457 0.941 20 0 GCADMN Cc1nnc(CC(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)o1 ZINC001571289918 946022525 /nfs/dbraw/zinc/02/25/25/946022525.db2.gz PSWGWAFOIWUNOJ-UHFFFAOYSA-N 0 1 388.457 0.941 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573470403 946025511 /nfs/dbraw/zinc/02/55/11/946025511.db2.gz DSURDUCUFCIZFG-HTRCEHHLSA-N 0 1 384.853 0.514 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](N(C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573470571 946029529 /nfs/dbraw/zinc/02/95/29/946029529.db2.gz HCVAZANRGJAHJY-FZMZJTMJSA-N 0 1 389.435 0.563 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573470560 946031889 /nfs/dbraw/zinc/03/18/89/946031889.db2.gz GXZTUQKTDWTVQW-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573470560 946031902 /nfs/dbraw/zinc/03/19/02/946031902.db2.gz GXZTUQKTDWTVQW-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN Cc1cnc(CNC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)s1 ZINC001571290222 946036103 /nfs/dbraw/zinc/03/61/03/946036103.db2.gz XXNPOIBBJRBVKL-LBPRGKRZSA-N 0 1 388.457 0.591 20 0 GCADMN Cc1[nH]nc(Cl)c1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571290396 946040813 /nfs/dbraw/zinc/04/08/13/946040813.db2.gz CUVPUNPLNUQNPD-VIFPVBQESA-N 0 1 388.823 0.338 20 0 GCADMN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571290721 946053952 /nfs/dbraw/zinc/05/39/52/946053952.db2.gz NEHHKZNNDDRHCN-APAOZMKASA-N 0 1 388.501 0.524 20 0 GCADMN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@@H+]2CC[C@H](C)C2)c1-c1nn[n-]n1 ZINC001571290721 946053963 /nfs/dbraw/zinc/05/39/63/946053963.db2.gz NEHHKZNNDDRHCN-APAOZMKASA-N 0 1 388.501 0.524 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573472127 946056925 /nfs/dbraw/zinc/05/69/25/946056925.db2.gz SPJSLYDGOVXBLS-KZULUSFZSA-N 0 1 384.444 0.215 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573472126 946058577 /nfs/dbraw/zinc/05/85/77/946058577.db2.gz SPJSLYDGOVXBLS-KPZWWZAWSA-N 0 1 384.444 0.215 20 0 GCADMN Cn1c(Cl)ncc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571290909 946058588 /nfs/dbraw/zinc/05/85/88/946058588.db2.gz UIBPWDHCBNKYRA-UHFFFAOYSA-N 0 1 388.823 0.442 20 0 GCADMN O=C(N[C@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1)c1ncn[nH]1 ZINC001571290915 946060559 /nfs/dbraw/zinc/06/05/59/946060559.db2.gz UNXDFHMEBIUKQH-JTQLQIEISA-N 0 1 388.823 0.822 20 0 GCADMN O=C(N[C@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1)c1nc[nH]n1 ZINC001571290915 946060572 /nfs/dbraw/zinc/06/05/72/946060572.db2.gz UNXDFHMEBIUKQH-JTQLQIEISA-N 0 1 388.823 0.822 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472159 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/nfs/dbraw/zinc/10/39/49/946103949.db2.gz GJZQPHCDSQQANJ-CYBMUJFWSA-N 0 1 389.435 0.853 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573475769 946104146 /nfs/dbraw/zinc/10/41/46/946104146.db2.gz AOIDNJZGQWZLAR-GXTWGEPZSA-N 0 1 386.460 0.570 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573475750 946104278 /nfs/dbraw/zinc/10/42/78/946104278.db2.gz AJMXVJATDFPOKE-RNFRBKRXSA-N 0 1 386.869 0.665 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573475770 946105230 /nfs/dbraw/zinc/10/52/30/946105230.db2.gz AOIDNJZGQWZLAR-JSGCOSHPSA-N 0 1 386.460 0.570 20 0 GCADMN CN1CCC[C@@H]1C(=O)NC[C@H]1CN(c2cccc(F)c2-c2nn[nH]n2)CCO1 ZINC001571293438 946106587 /nfs/dbraw/zinc/10/65/87/946106587.db2.gz ILNJHMKEWRFDMM-SWLSCSKDSA-N 0 1 389.435 0.421 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573476099 946112617 /nfs/dbraw/zinc/11/26/17/946112617.db2.gz 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CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573476649 946123768 /nfs/dbraw/zinc/12/37/68/946123768.db2.gz IEBIUAJKTHXTRB-AAEUAGOBSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573476649 946123775 /nfs/dbraw/zinc/12/37/75/946123775.db2.gz IEBIUAJKTHXTRB-AAEUAGOBSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573476649 946123780 /nfs/dbraw/zinc/12/37/80/946123780.db2.gz IEBIUAJKTHXTRB-AAEUAGOBSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573476926 946127314 /nfs/dbraw/zinc/12/73/14/946127314.db2.gz LJPJICKEAUILBW-IAQYHMDHSA-N 0 1 388.476 0.459 20 0 GCADMN CN1C(=O)CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294141 946127782 /nfs/dbraw/zinc/12/77/82/946127782.db2.gz BPJNBDNSNOJPND-AAEUAGOBSA-N 0 1 389.485 0.630 20 0 GCADMN 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CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2-c2nn[nH]n2)[C@H]1C ZINC001573514208 946522505 /nfs/dbraw/zinc/52/25/05/946522505.db2.gz VCTKPBWHACULPY-MEDUHNTESA-N 0 1 389.435 0.611 20 0 GCADMN C[C@@H]1CN(C(=O)c2cncnc2C2CC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571313557 946525462 /nfs/dbraw/zinc/52/54/62/946525462.db2.gz ROQHBDHTSZGSCE-MFKMUULPSA-N 0 1 392.427 0.319 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCOc2ccccc21 ZINC001571313580 946526182 /nfs/dbraw/zinc/52/61/82/946526182.db2.gz SCEXITRODKEMTN-MBNYWOFBSA-N 0 1 392.423 0.704 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)[C@H](C)C1 ZINC001573514702 946532247 /nfs/dbraw/zinc/53/22/47/946532247.db2.gz COVWJGJWXARYAA-ABAIWWIYSA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)N1CCN([C@H]2CN(c3nc4ccccn4c3-c3nn[nH]n3)C[C@@H]2C)CC1 ZINC000823981892 946533706 /nfs/dbraw/zinc/53/37/06/946533706.db2.gz RPLMNZRCTKWJTP-ZFWWWQNUSA-N 0 1 395.471 0.503 20 0 GCADMN CC(=O)NCC(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573515742 946552034 /nfs/dbraw/zinc/55/20/34/946552034.db2.gz QEQCCZGOYZIUDM-UHFFFAOYSA-N 0 1 375.408 0.223 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1(C)C ZINC001573516334 946559595 /nfs/dbraw/zinc/55/95/95/946559595.db2.gz YACSDSVGFXFGAO-OAHLLOKOSA-N 0 1 389.435 0.469 20 0 GCADMN CC(=O)NCC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CCCCC1 ZINC001573518019 946583723 /nfs/dbraw/zinc/58/37/23/946583723.db2.gz VWAMSRZIXWPAPK-UHFFFAOYSA-N 0 1 386.460 0.359 20 0 GCADMN CC(C)(C)OC(=O)c1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000824114112 946594253 /nfs/dbraw/zinc/59/42/53/946594253.db2.gz JDIRNBOMQGAQLV-UHFFFAOYSA-N 0 1 384.400 0.730 20 0 GCADMN CC(=O)NCC(=O)NCC[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001573520876 946602432 /nfs/dbraw/zinc/60/24/32/946602432.db2.gz OKDUROXNNRMNQR-BXUZGUMPSA-N 0 1 386.460 0.285 20 0 GCADMN O=C(N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1cscc1Cl ZINC001571317584 946613932 /nfs/dbraw/zinc/61/39/32/946613932.db2.gz NNGKQQYWXKPXFA-NXEZZACHSA-N 0 1 392.832 0.351 20 0 GCADMN CC1(C)CN(Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1NC(=O)[C@@H]1COCCO1 ZINC001571317838 946621055 /nfs/dbraw/zinc/62/10/55/946621055.db2.gz WVVWDAZDCHQXSG-JSGCOSHPSA-N 0 1 392.485 0.670 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573522169 946622909 /nfs/dbraw/zinc/62/29/09/946622909.db2.gz BQSZQNSIMKBBNZ-UHFFFAOYSA-N 0 1 387.488 0.919 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573522103 946623490 /nfs/dbraw/zinc/62/34/90/946623490.db2.gz ARDWDZXMJXZBPT-UHFFFAOYSA-N 0 1 386.460 0.381 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573522829 946629641 /nfs/dbraw/zinc/62/96/41/946629641.db2.gz KRTYKVZQOCWNKK-UHFFFAOYSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573522869 946632586 /nfs/dbraw/zinc/63/25/86/946632586.db2.gz LVIGZIIMTQRODV-ZDUSSCGKSA-N 0 1 386.460 0.106 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573528151 946657732 /nfs/dbraw/zinc/65/77/32/946657732.db2.gz WDWULUAMDZJOED-SNAWJCMRSA-N 0 1 391.501 0.853 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC/C=C/C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573528151 946657746 /nfs/dbraw/zinc/65/77/46/946657746.db2.gz WDWULUAMDZJOED-SNAWJCMRSA-N 0 1 391.501 0.853 20 0 GCADMN C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000824413289 946695479 /nfs/dbraw/zinc/69/54/79/946695479.db2.gz KIXDRCYWXBZPBA-GFCCVEGCSA-N 0 1 384.444 0.197 20 0 GCADMN C[C@H](C[N@H+](C)Cc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824413289 946695484 /nfs/dbraw/zinc/69/54/84/946695484.db2.gz KIXDRCYWXBZPBA-GFCCVEGCSA-N 0 1 384.444 0.197 20 0 GCADMN C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824413289 946695488 /nfs/dbraw/zinc/69/54/88/946695488.db2.gz KIXDRCYWXBZPBA-GFCCVEGCSA-N 0 1 384.444 0.197 20 0 GCADMN C[C@H](CN1CCOCC1)C(=O)N1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824413070 946695798 /nfs/dbraw/zinc/69/57/98/946695798.db2.gz JEGJQGIFXHNRIA-PBHICJAKSA-N 0 1 386.456 0.735 20 0 GCADMN C[C@H](CN1CCOCC1)C(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824414300 946700576 /nfs/dbraw/zinc/70/05/76/946700576.db2.gz YZAFIYVSZQFKFX-OAHLLOKOSA-N 0 1 399.499 0.920 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)C ZINC001573535385 946721464 /nfs/dbraw/zinc/72/14/64/946721464.db2.gz DNSOAWVROIEJHG-DLBZAZTESA-N 0 1 385.472 0.718 20 0 GCADMN CC(=O)N[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(C)C ZINC001573536410 946734525 /nfs/dbraw/zinc/73/45/25/946734525.db2.gz WLUQUWCXRWHNQY-XJKCOSOUSA-N 0 1 386.460 0.151 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824490451 946738820 /nfs/dbraw/zinc/73/88/20/946738820.db2.gz PONWUXIYIHRIMV-HIFRSBDPSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824490451 946738830 /nfs/dbraw/zinc/73/88/30/946738830.db2.gz PONWUXIYIHRIMV-HIFRSBDPSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824490451 946738842 /nfs/dbraw/zinc/73/88/42/946738842.db2.gz PONWUXIYIHRIMV-HIFRSBDPSA-N 0 1 381.444 0.485 20 0 GCADMN CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573537556 946751739 /nfs/dbraw/zinc/75/17/39/946751739.db2.gz ORXKOXVNYHVMTK-CZUORRHYSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001573537880 946758503 /nfs/dbraw/zinc/75/85/03/946758503.db2.gz LVPURXJGGMGGGI-LRDDRELGSA-N 0 1 388.476 0.493 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573540361 946774189 /nfs/dbraw/zinc/77/41/89/946774189.db2.gz ANWKTBKWUZMADI-BLLLJJGKSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573540380 946776691 /nfs/dbraw/zinc/77/66/91/946776691.db2.gz BVVBFOWZYMQDRT-OAHLLOKOSA-N 0 1 386.460 0.295 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)CCNc1ccncc1-c1nn[nH]n1 ZINC001573541301 946786515 /nfs/dbraw/zinc/78/65/15/946786515.db2.gz PYQDKMKGJCLJCZ-BLLLJJGKSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)N[C@H](C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC001573541578 946788339 /nfs/dbraw/zinc/78/83/39/946788339.db2.gz RXMZZWHWCNPEBS-MRXNPFEDSA-N 0 1 387.488 0.966 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573541667 946788485 /nfs/dbraw/zinc/78/84/85/946788485.db2.gz VRNVHFFZCDPQAD-WCQYABFASA-N 0 1 389.464 0.148 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573541881 946791120 /nfs/dbraw/zinc/79/11/20/946791120.db2.gz WOWGDKLXIMFAFB-CYBMUJFWSA-N 0 1 389.464 0.102 20 0 GCADMN CC(=O)N[C@H](CC1CCC1)C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001573543044 946802843 /nfs/dbraw/zinc/80/28/43/946802843.db2.gz SPYDBAWVIJOBKV-OAHLLOKOSA-N 0 1 386.460 0.509 20 0 GCADMN CC(=O)Nc1cccc2c1CN(C(=O)NCCn1cnc(-c3nn[nH]n3)n1)CC2 ZINC001573548321 946849884 /nfs/dbraw/zinc/84/98/84/946849884.db2.gz INNFETOHECFXOF-UHFFFAOYSA-N 0 1 396.415 0.185 20 0 GCADMN CC(=O)Nc1nc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)cs1 ZINC001573548742 946855401 /nfs/dbraw/zinc/85/54/01/946855401.db2.gz SHJSMCISOBIAQD-QMMMGPOBSA-N 0 1 387.429 0.329 20 0 GCADMN CCC[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000825255905 947134217 /nfs/dbraw/zinc/13/42/17/947134217.db2.gz ZPHWYPHLUJQJTM-MRXNPFEDSA-N 0 1 395.471 0.971 20 0 GCADMN CCC[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000825255905 947134225 /nfs/dbraw/zinc/13/42/25/947134225.db2.gz ZPHWYPHLUJQJTM-MRXNPFEDSA-N 0 1 395.471 0.971 20 0 GCADMN CCC[C@@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000825255905 947134231 /nfs/dbraw/zinc/13/42/31/947134231.db2.gz ZPHWYPHLUJQJTM-MRXNPFEDSA-N 0 1 395.471 0.971 20 0 GCADMN CC[NH+](CC)CCCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000825412089 947180769 /nfs/dbraw/zinc/18/07/69/947180769.db2.gz JUIOMRMRTHCFLH-UHFFFAOYSA-N 0 1 375.481 0.819 20 0 GCADMN CC[N@@H+](CCC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1)CC1CC1 ZINC000825419436 947185947 /nfs/dbraw/zinc/18/59/47/947185947.db2.gz PKIPNCHEYWNUKR-UHFFFAOYSA-N 0 1 387.492 0.819 20 0 GCADMN CC[N@H+](CCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1)CC1CC1 ZINC000825419436 947185953 /nfs/dbraw/zinc/18/59/53/947185953.db2.gz PKIPNCHEYWNUKR-UHFFFAOYSA-N 0 1 387.492 0.819 20 0 GCADMN CC[N@@H+](CCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1)CC1CC1 ZINC000825419436 947185957 /nfs/dbraw/zinc/18/59/57/947185957.db2.gz PKIPNCHEYWNUKR-UHFFFAOYSA-N 0 1 387.492 0.819 20 0 GCADMN CCS(=O)(=O)CCNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000825663889 947281702 /nfs/dbraw/zinc/28/17/02/947281702.db2.gz YWSJZTVEFNXVOW-UHFFFAOYSA-N 0 1 375.458 0.792 20 0 GCADMN CC(C)N(C)C(=O)[C@H](C)N1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573586973 947296767 /nfs/dbraw/zinc/29/67/67/947296767.db2.gz VEKHLZVPDKZZHV-LBPRGKRZSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573591384 947310265 /nfs/dbraw/zinc/31/02/65/947310265.db2.gz BBJPZFQWNLPHFD-DGCLKSJQSA-N 0 1 382.432 0.231 20 0 GCADMN C[C@@H](C(=O)N(C)C1CCN(CC(F)(F)F)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573592117 947328701 /nfs/dbraw/zinc/32/87/01/947328701.db2.gz ABIZGZYCXOSNMK-VIFPVBQESA-N 0 1 387.370 0.504 20 0 GCADMN C[C@@H](C(=O)N(C)C)N1CCC[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573592501 947339829 /nfs/dbraw/zinc/33/98/29/947339829.db2.gz CSZYQMDNVJDMDY-SGTLLEGYSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H](C(=O)N(C)C)N1CCC[C@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573592923 947354723 /nfs/dbraw/zinc/35/47/23/947354723.db2.gz GPCQTUWGNUWCSR-KPZWWZAWSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573593700 947376058 /nfs/dbraw/zinc/37/60/58/947376058.db2.gz UXIGYHBSROLJNB-VHSXEESVSA-N 0 1 384.391 0.204 20 0 GCADMN C[C@H](C(=O)N(C)C)N(C)C[C@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573594235 947389545 /nfs/dbraw/zinc/38/95/45/947389545.db2.gz PDCGJXNQVOBTTJ-CHWSQXEVSA-N 0 1 388.476 0.598 20 0 GCADMN C[C@@H](C(=O)N(C)C)N(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573594232 947389748 /nfs/dbraw/zinc/38/97/48/947389748.db2.gz PBVPAEYZAGIBHY-JSGCOSHPSA-N 0 1 388.476 0.598 20 0 GCADMN C[C@H](C(=O)N(C)[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cncn1 ZINC001573594186 947390106 /nfs/dbraw/zinc/39/01/06/947390106.db2.gz OJEKIAGHHUGMKS-IAQYHMDHSA-N 0 1 382.432 0.185 20 0 GCADMN C[C@H](C(=O)N(C)C)N(C)C[C@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573594571 947401513 /nfs/dbraw/zinc/40/15/13/947401513.db2.gz QPUTUCWYLIVJRJ-TZMCWYRMSA-N 0 1 388.476 0.598 20 0 GCADMN C[C@H](C(=O)N(C)CCCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573595177 947417805 /nfs/dbraw/zinc/41/78/05/947417805.db2.gz GCKTXPPAWXZONL-LBPRGKRZSA-N 0 1 384.448 0.479 20 0 GCADMN CN1CCO[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]21 ZINC000826045531 947419392 /nfs/dbraw/zinc/41/93/92/947419392.db2.gz YEAKTVGBQAWHIZ-IXDOHACOSA-N 0 1 383.456 0.377 20 0 GCADMN C[C@H](C(=O)N(C)C[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573598310 947442696 /nfs/dbraw/zinc/44/26/96/947442696.db2.gz PZVLGUHYOSVVBM-NHYWBVRUSA-N 0 1 376.436 0.961 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573599273 947452130 /nfs/dbraw/zinc/45/21/30/947452130.db2.gz WYQJHCHVJLGBBK-QWRGUYRKSA-N 0 1 391.436 0.487 20 0 GCADMN COCCCOCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826156533 947491399 /nfs/dbraw/zinc/49/13/99/947491399.db2.gz IMBVPBVEPPKHJS-UHFFFAOYSA-N 0 1 391.432 0.434 20 0 GCADMN C[C@@H](C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccsc1 ZINC001573607987 947554380 /nfs/dbraw/zinc/55/43/80/947554380.db2.gz TYOYMMVGDLKOIK-LLVKDONJSA-N 0 1 388.457 0.177 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573614124 947579096 /nfs/dbraw/zinc/57/90/96/947579096.db2.gz CCXFYNHQYFNMPM-NEPJUHHUSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573614124 947579106 /nfs/dbraw/zinc/57/91/06/947579106.db2.gz CCXFYNHQYFNMPM-NEPJUHHUSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573614515 947588833 /nfs/dbraw/zinc/58/88/33/947588833.db2.gz MPUNSUJEBJWSEO-SJCJKPOMSA-N 0 1 382.432 0.187 20 0 GCADMN C[C@@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573616220 947619796 /nfs/dbraw/zinc/61/97/96/947619796.db2.gz HTEGSNGBHSNBJI-LBPRGKRZSA-N 0 1 382.432 0.187 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573616989 947631310 /nfs/dbraw/zinc/63/13/10/947631310.db2.gz KRXSMDSYVKTMBZ-CHWSQXEVSA-N 0 1 381.444 0.481 20 0 GCADMN C[C@@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573617925 947643665 /nfs/dbraw/zinc/64/36/65/947643665.db2.gz QYVPNBFBCPWKFE-LBPRGKRZSA-N 0 1 382.432 0.187 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CN(c3ccccc3)C2=O)cc1-c1nn[nH]n1 ZINC000826229605 947672628 /nfs/dbraw/zinc/67/26/28/947672628.db2.gz KRHKGPYYVQBFPE-GFCCVEGCSA-N 0 1 397.420 0.834 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCCC1 ZINC001573625236 947698634 /nfs/dbraw/zinc/69/86/34/947698634.db2.gz OOYJGUIDEHYFNB-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573628107 947745828 /nfs/dbraw/zinc/74/58/28/947745828.db2.gz ISNUWCMMDGOKRB-KBPBESRZSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1cncn1 ZINC001573628720 947763012 /nfs/dbraw/zinc/76/30/12/947763012.db2.gz NSQJIINMLILOTN-CHWSQXEVSA-N 0 1 382.432 0.329 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573373486 947795581 /nfs/dbraw/zinc/79/55/81/947795581.db2.gz JKCATGPLTUSLRZ-KGLIPLIRSA-N 0 1 384.444 0.986 20 0 GCADMN CC(=O)CCCC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001573373690 947797761 /nfs/dbraw/zinc/79/77/61/947797761.db2.gz KHIJIAJWUPSMDL-GXTWGEPZSA-N 0 1 386.460 0.734 20 0 GCADMN CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001573373694 947797979 /nfs/dbraw/zinc/79/79/79/947797979.db2.gz KHIJIAJWUPSMDL-OCCSQVGLSA-N 0 1 386.460 0.734 20 0 GCADMN C[C@H](C(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cnn(C)c1 ZINC001573637433 947814539 /nfs/dbraw/zinc/81/45/39/947814539.db2.gz CVMQZOOPAFIGNI-LBPRGKRZSA-N 0 1 382.432 0.233 20 0 GCADMN CC(=O)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573375555 947820972 /nfs/dbraw/zinc/82/09/72/947820972.db2.gz OEWMOSQRULTRDQ-MJBXVCDLSA-N 0 1 384.444 0.890 20 0 GCADMN C[C@@H](C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573637730 947821802 /nfs/dbraw/zinc/82/18/02/947821802.db2.gz OINJLGJAPMDMRG-STQMWFEESA-N 0 1 388.476 0.790 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573637748 947822412 /nfs/dbraw/zinc/82/24/12/947822412.db2.gz OZXPALMGGTXBEY-WDEREUQCSA-N 0 1 391.436 0.535 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573637747 947822948 /nfs/dbraw/zinc/82/29/48/947822948.db2.gz OZXPALMGGTXBEY-GHMZBOCLSA-N 0 1 391.436 0.535 20 0 GCADMN C[C@@H](C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cncn1 ZINC001573637915 947829560 /nfs/dbraw/zinc/82/95/60/947829560.db2.gz WDFOVMZHQAMQRL-AWEZNQCLSA-N 0 1 381.444 0.754 20 0 GCADMN CC(=O)CCCC(=O)N1CCO[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573377100 947846951 /nfs/dbraw/zinc/84/69/51/947846951.db2.gz IAXOXBMCHPCQGM-CZUORRHYSA-N 0 1 387.444 0.471 20 0 GCADMN Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)CC3 ZINC000826293199 947850880 /nfs/dbraw/zinc/85/08/80/947850880.db2.gz FMAWRWYSRYJLIL-LLVKDONJSA-N 0 1 377.412 0.922 20 0 GCADMN CC(=O)CCCC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1O ZINC001573380996 947868350 /nfs/dbraw/zinc/86/83/50/947868350.db2.gz MRLXAZOGYARKKG-GOEBONIOSA-N 0 1 387.444 0.385 20 0 GCADMN CC(=O)CCCC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001573381114 947869436 /nfs/dbraw/zinc/86/94/36/947869436.db2.gz OCVFJCGYYMGNJN-KRWDZBQOSA-N 0 1 388.432 0.128 20 0 GCADMN C[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccc1 ZINC001573646421 947874778 /nfs/dbraw/zinc/87/47/78/947874778.db2.gz MFEKAHRASQJBMX-HZSPNIEDSA-N 0 1 379.428 0.757 20 0 GCADMN CC(=O)N1CCC(NC(=O)C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)CC1 ZINC001602744015 971438898 /nfs/dbraw/zinc/43/88/98/971438898.db2.gz CZWLFJNSPTXRIA-GJZGRUSLSA-N 0 1 391.472 0.037 20 0 GCADMN C[C@@H](C(=O)NC(C)(C)C)N(C)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573650263 947908573 /nfs/dbraw/zinc/90/85/73/947908573.db2.gz AHGDNHKPHSIDOS-WCQYABFASA-N 0 1 388.476 0.644 20 0 GCADMN C[C@@H](C(=O)NC(C)(C)C)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573650815 947913399 /nfs/dbraw/zinc/91/33/99/947913399.db2.gz FJLQMIWGBLKKAU-RYUDHWBXSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@@H](C(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573651159 947917033 /nfs/dbraw/zinc/91/70/33/947917033.db2.gz JALNZDUTEJNHJK-JGFSIVIASA-N 0 1 389.445 0.769 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)(C)C1 ZINC001573388178 947917355 /nfs/dbraw/zinc/91/73/55/947917355.db2.gz IZHNJQZSOFHSRX-OAHLLOKOSA-N 0 1 386.460 0.119 20 0 GCADMN C[C@H](C(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573651156 947918240 /nfs/dbraw/zinc/91/82/40/947918240.db2.gz JALNZDUTEJNHJK-BLBHWQHRSA-N 0 1 389.445 0.769 20 0 GCADMN C[C@H](C(=O)NC(C)(C)C)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573651954 947925261 /nfs/dbraw/zinc/92/52/61/947925261.db2.gz RVKRBQKHMJWCIM-YPMHNXCESA-N 0 1 388.476 0.644 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573390609 947930561 /nfs/dbraw/zinc/93/05/61/947930561.db2.gz YXDTUXTYZUBLBV-UHFFFAOYSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573392204 947944257 /nfs/dbraw/zinc/94/42/57/947944257.db2.gz WJHGGSVMEGJQSR-AWEZNQCLSA-N 0 1 375.408 0.175 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573392230 947944650 /nfs/dbraw/zinc/94/46/50/947944650.db2.gz YAJSDFXBYAPCJW-ZWNOBZJWSA-N 0 1 377.474 0.343 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573392230 947944659 /nfs/dbraw/zinc/94/46/59/947944659.db2.gz YAJSDFXBYAPCJW-ZWNOBZJWSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C(=O)NC(C)(C)C)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573652683 947945192 /nfs/dbraw/zinc/94/51/92/947945192.db2.gz GJWWRUANTZFLON-PUHVVEEASA-N 0 1 386.460 0.158 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[NH+](C(C)C)C(C)C)CC2)o1 ZINC000826322805 947945408 /nfs/dbraw/zinc/94/54/08/947945408.db2.gz BYTGDOQMBXWZBK-UHFFFAOYSA-N 0 1 376.465 0.931 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H](N(C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573392480 947948351 /nfs/dbraw/zinc/94/83/51/947948351.db2.gz BGUNWJXKGFYOLC-CQSZACIVSA-N 0 1 389.435 0.517 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573392628 947948607 /nfs/dbraw/zinc/94/86/07/947948607.db2.gz CMFGSHCXJKOSOH-OCCSQVGLSA-N 0 1 386.460 0.201 20 0 GCADMN Cc1nnc(CN2CCN(CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)[nH]1 ZINC000826325883 947950385 /nfs/dbraw/zinc/95/03/85/947950385.db2.gz PRAHBJIMBWJQTA-UHFFFAOYSA-N 0 1 396.459 0.440 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1C ZINC001573393111 947954662 /nfs/dbraw/zinc/95/46/62/947954662.db2.gz JNOUUQUWKNVRCE-DGCLKSJQSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@H]1C ZINC001573393111 947954667 /nfs/dbraw/zinc/95/46/67/947954667.db2.gz JNOUUQUWKNVRCE-DGCLKSJQSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C[C@@H]1C ZINC001573393107 947955009 /nfs/dbraw/zinc/95/50/09/947955009.db2.gz JNOUUQUWKNVRCE-AAEUAGOBSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C[C@@H]1C ZINC001573393107 947955014 /nfs/dbraw/zinc/95/50/14/947955014.db2.gz JNOUUQUWKNVRCE-AAEUAGOBSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001573398385 947982951 /nfs/dbraw/zinc/98/29/51/947982951.db2.gz KQNWIUXNIALHBQ-HNNXBMFYSA-N 0 1 384.444 0.215 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@]1(C)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573398457 947983101 /nfs/dbraw/zinc/98/31/01/947983101.db2.gz LIVFHKFKTFVEGF-GOSISDBHSA-N 0 1 389.435 0.565 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001573398654 947984407 /nfs/dbraw/zinc/98/44/07/947984407.db2.gz OIHHYYOJBQYNCY-ACJLOTCBSA-N 0 1 384.444 0.025 20 0 GCADMN Cc1onc(CC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1-c1nnn[n-]1 ZINC000826343028 947986036 /nfs/dbraw/zinc/98/60/36/947986036.db2.gz JNRPHQZCUVACBM-LLVKDONJSA-N 0 1 377.449 0.257 20 0 GCADMN Cc1onc(CC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1-c1nn[n-]n1 ZINC000826343028 947986040 /nfs/dbraw/zinc/98/60/40/947986040.db2.gz JNRPHQZCUVACBM-LLVKDONJSA-N 0 1 377.449 0.257 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H](C)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573399220 947990727 /nfs/dbraw/zinc/99/07/27/947990727.db2.gz TYRKBRPYBDNBGZ-LLVKDONJSA-N 0 1 389.435 0.421 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@]1(C)CCN(Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573399823 947994681 /nfs/dbraw/zinc/99/46/81/947994681.db2.gz YWSAMJUUWYZWLE-GOSISDBHSA-N 0 1 389.435 0.565 20 0 GCADMN C[C@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)[C@@H]1CCCO1 ZINC001573656857 947994949 /nfs/dbraw/zinc/99/49/49/947994949.db2.gz IUUYVZNEJBYKMD-STQMWFEESA-N 0 1 386.460 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)NC1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001573401387 947997445 /nfs/dbraw/zinc/99/74/45/947997445.db2.gz BLYJDSILBOYAIA-UHFFFAOYSA-N 0 1 389.435 0.565 20 0 GCADMN Cc1onc(CC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1-c1nnn[n-]1 ZINC000826344467 948006812 /nfs/dbraw/zinc/00/68/12/948006812.db2.gz IWUVQOGOQPPCHD-AWEZNQCLSA-N 0 1 388.476 0.334 20 0 GCADMN Cc1onc(CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1-c1nnn[n-]1 ZINC000826344467 948006820 /nfs/dbraw/zinc/00/68/20/948006820.db2.gz IWUVQOGOQPPCHD-AWEZNQCLSA-N 0 1 388.476 0.334 20 0 GCADMN Cc1onc(CC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1-c1nn[n-]n1 ZINC000826344467 948006826 /nfs/dbraw/zinc/00/68/26/948006826.db2.gz IWUVQOGOQPPCHD-AWEZNQCLSA-N 0 1 388.476 0.334 20 0 GCADMN Cc1onc(CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1-c1nn[n-]n1 ZINC000826344467 948006830 /nfs/dbraw/zinc/00/68/30/948006830.db2.gz IWUVQOGOQPPCHD-AWEZNQCLSA-N 0 1 388.476 0.334 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573403048 948008439 /nfs/dbraw/zinc/00/84/39/948008439.db2.gz KTFYIRXRUSNIIM-ZFWWWQNUSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001573403404 948009132 /nfs/dbraw/zinc/00/91/32/948009132.db2.gz MARLTPPETFSXKV-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001573403404 948009135 /nfs/dbraw/zinc/00/91/35/948009135.db2.gz MARLTPPETFSXKV-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001573403404 948009139 /nfs/dbraw/zinc/00/91/39/948009139.db2.gz MARLTPPETFSXKV-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001573403404 948009142 /nfs/dbraw/zinc/00/91/42/948009142.db2.gz MARLTPPETFSXKV-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573404167 948017858 /nfs/dbraw/zinc/01/78/58/948017858.db2.gz QXYSRUSCQQFZNR-GFCCVEGCSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573404294 948019168 /nfs/dbraw/zinc/01/91/68/948019168.db2.gz RJWZQSHRVKAIGU-KBPBESRZSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573404466 948023886 /nfs/dbraw/zinc/02/38/86/948023886.db2.gz FQVGYFSFYONNPB-GFCCVEGCSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573404466 948023895 /nfs/dbraw/zinc/02/38/95/948023895.db2.gz FQVGYFSFYONNPB-GFCCVEGCSA-N 0 1 377.474 0.487 20 0 GCADMN C[C@@H](C(=O)NC1CC1)N1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573662367 948025650 /nfs/dbraw/zinc/02/56/50/948025650.db2.gz CCDUZVLBCSDBNG-NSHDSACASA-N 0 1 386.460 0.446 20 0 GCADMN C[C@H](C(=O)NC1CC1)N1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573662364 948026066 /nfs/dbraw/zinc/02/60/66/948026066.db2.gz CCDUZVLBCSDBNG-LLVKDONJSA-N 0 1 386.460 0.446 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573404666 948031256 /nfs/dbraw/zinc/03/12/56/948031256.db2.gz IZAAWHNSNVBVMN-LBPRGKRZSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573404666 948031265 /nfs/dbraw/zinc/03/12/65/948031265.db2.gz IZAAWHNSNVBVMN-LBPRGKRZSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573404666 948031274 /nfs/dbraw/zinc/03/12/74/948031274.db2.gz IZAAWHNSNVBVMN-LBPRGKRZSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573404666 948031282 /nfs/dbraw/zinc/03/12/82/948031282.db2.gz IZAAWHNSNVBVMN-LBPRGKRZSA-N 0 1 377.474 0.345 20 0 GCADMN Cc1onc(CC(=O)N[C@H](C)C2(N3CCOCC3)CCCC2)c1-c1nn[nH]n1 ZINC000826345882 948031614 /nfs/dbraw/zinc/03/16/14/948031614.db2.gz XATRTNVMPSQDQN-CYBMUJFWSA-N 0 1 389.460 0.855 20 0 GCADMN CC(=O)N(C)CC(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573405260 948039139 /nfs/dbraw/zinc/03/91/39/948039139.db2.gz NRVVXMNYGJUHSN-CQSZACIVSA-N 0 1 386.460 0.381 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CCCC1 ZINC001573405212 948040852 /nfs/dbraw/zinc/04/08/52/948040852.db2.gz MZCXDFZUBCJQBC-UHFFFAOYSA-N 0 1 386.460 0.311 20 0 GCADMN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573664030 948045542 /nfs/dbraw/zinc/04/55/42/948045542.db2.gz RDQDLDALZMDWRB-NEPJUHHUSA-N 0 1 386.460 0.304 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573406805 948057974 /nfs/dbraw/zinc/05/79/74/948057974.db2.gz UYEHBPBNYCOHIC-JOCQHMNTSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573406805 948057984 /nfs/dbraw/zinc/05/79/84/948057984.db2.gz UYEHBPBNYCOHIC-JOCQHMNTSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573406769 948058651 /nfs/dbraw/zinc/05/86/51/948058651.db2.gz RRPHFANIEBLYQY-LBPRGKRZSA-N 0 1 386.460 0.461 20 0 GCADMN Cc1onc(CC(=O)NCc2ccc(N3CCN(C)CC3)nc2)c1-c1nn[nH]n1 ZINC000826348167 948068997 /nfs/dbraw/zinc/06/89/97/948068997.db2.gz XYQJUFXIUKNYTD-UHFFFAOYSA-N 0 1 397.443 0.169 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)CCN(C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573413527 948081958 /nfs/dbraw/zinc/08/19/58/948081958.db2.gz ALVJOSMXTIUOPU-UHFFFAOYSA-N 0 1 377.474 0.297 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)CCCN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573414057 948088849 /nfs/dbraw/zinc/08/88/49/948088849.db2.gz GYXRRWYWBSZOIG-UHFFFAOYSA-N 0 1 386.460 0.333 20 0 GCADMN CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573415140 948101940 /nfs/dbraw/zinc/10/19/40/948101940.db2.gz UFQYFUDDHZWEFA-LBPRGKRZSA-N 0 1 389.485 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573415140 948101949 /nfs/dbraw/zinc/10/19/49/948101949.db2.gz UFQYFUDDHZWEFA-LBPRGKRZSA-N 0 1 389.485 0.345 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573415422 948109656 /nfs/dbraw/zinc/10/96/56/948109656.db2.gz RPOUBRPFALBPSC-SNVBAGLBSA-N 0 1 377.474 0.343 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573415422 948109660 /nfs/dbraw/zinc/10/96/60/948109660.db2.gz RPOUBRPFALBPSC-SNVBAGLBSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573672679 948109839 /nfs/dbraw/zinc/10/98/39/948109839.db2.gz ILWMWLIAPCWVEO-SMDDNHRTSA-N 0 1 384.444 0.261 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)CN(C)Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573417759 948114153 /nfs/dbraw/zinc/11/41/53/948114153.db2.gz BDEIMGUJPVRZCK-NSHDSACASA-N 0 1 389.435 0.421 20 0 GCADMN Cn1cc([C@H](O)C[C@@H]2CCCN2[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359261 948114795 /nfs/dbraw/zinc/11/47/95/948114795.db2.gz AXUMBEAHBMRQTF-GVDBMIGSSA-N 0 1 396.455 0.715 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCCC1 ZINC001573674510 948117226 /nfs/dbraw/zinc/11/72/26/948117226.db2.gz NQKPLQZDTMZPQN-KBPBESRZSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573674510 948117228 /nfs/dbraw/zinc/11/72/28/948117228.db2.gz NQKPLQZDTMZPQN-KBPBESRZSA-N 0 1 385.476 0.616 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573419896 948130562 /nfs/dbraw/zinc/13/05/62/948130562.db2.gz VBLAKUUSACVUQQ-MNOVXSKESA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573419896 948130566 /nfs/dbraw/zinc/13/05/66/948130566.db2.gz VBLAKUUSACVUQQ-MNOVXSKESA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573419898 948130714 /nfs/dbraw/zinc/13/07/14/948130714.db2.gz VBLAKUUSACVUQQ-WDEREUQCSA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573419898 948130718 /nfs/dbraw/zinc/13/07/18/948130718.db2.gz VBLAKUUSACVUQQ-WDEREUQCSA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573419897 948131693 /nfs/dbraw/zinc/13/16/93/948131693.db2.gz VBLAKUUSACVUQQ-QWRGUYRKSA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573419897 948131697 /nfs/dbraw/zinc/13/16/97/948131697.db2.gz VBLAKUUSACVUQQ-QWRGUYRKSA-N 0 1 391.501 0.779 20 0 GCADMN Cn1ccc(CC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826362614 948135750 /nfs/dbraw/zinc/13/57/50/948135750.db2.gz APXPMTYADORRGE-UHFFFAOYSA-N 0 1 380.456 0.877 20 0 GCADMN CC(=O)N1CC(C(=O)NCCN(Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001573422202 948140273 /nfs/dbraw/zinc/14/02/73/948140273.db2.gz IIFRRRRFKABPOO-UHFFFAOYSA-N 0 1 389.485 0.487 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573423707 948145235 /nfs/dbraw/zinc/14/52/35/948145235.db2.gz OWRUZLRXWFDQAU-ZDUSSCGKSA-N 0 1 389.485 0.487 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573423707 948145241 /nfs/dbraw/zinc/14/52/41/948145241.db2.gz OWRUZLRXWFDQAU-ZDUSSCGKSA-N 0 1 389.485 0.487 20 0 GCADMN CC(=O)N1CC(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573424012 948147067 /nfs/dbraw/zinc/14/70/67/948147067.db2.gz SZSGKLUHODPJCZ-JTQLQIEISA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)N1CC(C(=O)NCC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573424012 948147074 /nfs/dbraw/zinc/14/70/74/948147074.db2.gz SZSGKLUHODPJCZ-JTQLQIEISA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(F)(F)F ZINC001573678277 948147759 /nfs/dbraw/zinc/14/77/59/948147759.db2.gz CJROINOLFIVPFK-SCZZXKLOSA-N 0 1 390.341 0.771 20 0 GCADMN C[C@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccco1 ZINC001573679020 948158436 /nfs/dbraw/zinc/15/84/36/948158436.db2.gz HLOUEURRTUJHOO-WDEREUQCSA-N 0 1 376.442 0.892 20 0 GCADMN CC(C)[C@@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001573679676 948166177 /nfs/dbraw/zinc/16/61/77/948166177.db2.gz JFKFJSHUZGHWGV-BLLLJJGKSA-N 0 1 383.460 0.774 20 0 GCADMN CC(=O)N1CCC(C(=O)N(C)C[C@@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573430618 948177618 /nfs/dbraw/zinc/17/76/18/948177618.db2.gz RSUVGNURJGQVCA-GFCCVEGCSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573432619 948191249 /nfs/dbraw/zinc/19/12/49/948191249.db2.gz HHUAABKVWMAKMN-KPZWWZAWSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(F)F ZINC001573681062 948194166 /nfs/dbraw/zinc/19/41/66/948194166.db2.gz SCQGULCTISSXKX-GXSJLCMTSA-N 0 1 386.378 0.864 20 0 GCADMN CC(C)[C@@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573681380 948202177 /nfs/dbraw/zinc/20/21/77/948202177.db2.gz VESUNGVANIPMLD-DGCLKSJQSA-N 0 1 384.448 0.169 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573434319 948213693 /nfs/dbraw/zinc/21/36/93/948213693.db2.gz QHUJGWAKDWQVTO-KZULUSFZSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573435410 948228086 /nfs/dbraw/zinc/22/80/86/948228086.db2.gz WROQVNJFOVTRIQ-DIFFPNOSSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573435410 948228092 /nfs/dbraw/zinc/22/80/92/948228092.db2.gz WROQVNJFOVTRIQ-DIFFPNOSSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573435408 948228293 /nfs/dbraw/zinc/22/82/93/948228293.db2.gz WROQVNJFOVTRIQ-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573435408 948228299 /nfs/dbraw/zinc/22/82/99/948228299.db2.gz WROQVNJFOVTRIQ-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccccc1F ZINC001573690872 948232134 /nfs/dbraw/zinc/23/21/34/948232134.db2.gz FXFKCLLNVRUREA-RYUDHWBXSA-N 0 1 385.403 0.515 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccc1 ZINC001573691160 948237444 /nfs/dbraw/zinc/23/74/44/948237444.db2.gz HZFYPYPWBCVFJF-SWLSCSKDSA-N 0 1 387.419 0.635 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)Cc1cccc(Cl)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573691193 948238718 /nfs/dbraw/zinc/23/87/18/948238718.db2.gz IBYPEQDDPVLSTH-BXKDBHETSA-N 0 1 376.808 0.392 20 0 GCADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1CCC(=O)N1 ZINC001573691344 948238857 /nfs/dbraw/zinc/23/88/57/948238857.db2.gz FOVFRJCESYDXCS-CMPLNLGQSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC001573691513 948244553 /nfs/dbraw/zinc/24/45/53/948244553.db2.gz JOBUWDPKFSWIEL-GZMMTYOYSA-N 0 1 390.341 0.771 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573439736 948251787 /nfs/dbraw/zinc/25/17/87/948251787.db2.gz QRMHYKGTTGQWLG-GXTWGEPZSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573440843 948261591 /nfs/dbraw/zinc/26/15/91/948261591.db2.gz AAWMBQJGAUHKHT-SMDDNHRTSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573440843 948261598 /nfs/dbraw/zinc/26/15/98/948261598.db2.gz AAWMBQJGAUHKHT-SMDDNHRTSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573441815 948276505 /nfs/dbraw/zinc/27/65/05/948276505.db2.gz CAXBAYXLKCRZPF-TZMCWYRMSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573442237 948287895 /nfs/dbraw/zinc/28/78/95/948287895.db2.gz FWZBMBRNYHGQJL-TZMCWYRMSA-N 0 1 386.460 0.106 20 0 GCADMN C[C@@H](C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCC1 ZINC001573694442 948294729 /nfs/dbraw/zinc/29/47/29/948294729.db2.gz VQBBXZOTSTWXOC-KZULUSFZSA-N 0 1 386.460 0.804 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NCCN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573442968 948302249 /nfs/dbraw/zinc/30/22/49/948302249.db2.gz KVGZHTWCPNINNL-CQSZACIVSA-N 0 1 386.460 0.381 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(F)F ZINC001573695646 948310093 /nfs/dbraw/zinc/31/00/93/948310093.db2.gz YGSMBBNKEURQTE-CABZTGNLSA-N 0 1 386.378 0.864 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573444151 948311881 /nfs/dbraw/zinc/31/18/81/948311881.db2.gz RXWKKLDXTIYCPE-IHRRRGAJSA-N 0 1 384.444 0.001 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC001573695901 948312238 /nfs/dbraw/zinc/31/22/38/948312238.db2.gz YQWUAHJTMPNPSH-SMDDNHRTSA-N 0 1 388.403 0.969 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(F)(F)F ZINC001573696198 948320486 /nfs/dbraw/zinc/32/04/86/948320486.db2.gz LYTWXPRGPSPGTG-KYXWUPHJSA-N 0 1 382.350 0.654 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573447088 948341414 /nfs/dbraw/zinc/34/14/14/948341414.db2.gz UVJBIFZBPKPDDS-CYBMUJFWSA-N 0 1 389.485 0.678 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573703124 948352168 /nfs/dbraw/zinc/35/21/68/948352168.db2.gz IESJSYJITOCMHB-WCQYABFASA-N 0 1 382.432 0.279 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573704784 948382035 /nfs/dbraw/zinc/38/20/35/948382035.db2.gz DRDZOUZVTKWRNE-OLZOCXBDSA-N 0 1 381.444 0.741 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1)C1CCC1 ZINC001573705060 948389247 /nfs/dbraw/zinc/38/92/47/948389247.db2.gz COKGEFAYKUXXEP-JSGCOSHPSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573705485 948402419 /nfs/dbraw/zinc/40/24/19/948402419.db2.gz HVDLZCHDJYHAFE-RYUDHWBXSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573705485 948402425 /nfs/dbraw/zinc/40/24/25/948402425.db2.gz HVDLZCHDJYHAFE-RYUDHWBXSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573705485 948402429 /nfs/dbraw/zinc/40/24/29/948402429.db2.gz HVDLZCHDJYHAFE-RYUDHWBXSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573705485 948402436 /nfs/dbraw/zinc/40/24/36/948402436.db2.gz HVDLZCHDJYHAFE-RYUDHWBXSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573706747 948424066 /nfs/dbraw/zinc/42/40/66/948424066.db2.gz LUNYSBRXTBOLDG-QWHCGFSZSA-N 0 1 379.428 0.798 20 0 GCADMN C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573706790 948424505 /nfs/dbraw/zinc/42/45/05/948424505.db2.gz LFBFGFGUAVAATE-JSGCOSHPSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@@H]1CCC(=O)N1 ZINC001573715507 948491765 /nfs/dbraw/zinc/49/17/65/948491765.db2.gz XNVOTJUWGGFFCS-JQWIXIFHSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@@H]1CCC(=O)N1 ZINC001573715507 948491770 /nfs/dbraw/zinc/49/17/70/948491770.db2.gz XNVOTJUWGGFFCS-JQWIXIFHSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573716270 948498344 /nfs/dbraw/zinc/49/83/44/948498344.db2.gz FBYYKZSPNUMCGI-IHRRRGAJSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H](C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCCCC1 ZINC001573716583 948501461 /nfs/dbraw/zinc/50/14/61/948501461.db2.gz IHRNFEUFYLPCLG-UONOGXRCSA-N 0 1 387.492 0.650 20 0 GCADMN C[C@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cncn1 ZINC001573720303 948533130 /nfs/dbraw/zinc/53/31/30/948533130.db2.gz QJLIAWQGUQAWLP-CYBMUJFWSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)n1cccn1 ZINC001573726332 948550169 /nfs/dbraw/zinc/55/01/69/948550169.db2.gz IBIXLSIEXQDNFE-JHJVBQTASA-N 0 1 382.432 0.303 20 0 GCADMN C[C@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573728151 948559496 /nfs/dbraw/zinc/55/94/96/948559496.db2.gz PKULLXXPIUGOPX-SGMGOOAPSA-N 0 1 379.428 0.584 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573729568 948568986 /nfs/dbraw/zinc/56/89/86/948568986.db2.gz UUQBAJMVPOPNBH-SDDRHHMPSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573729568 948568990 /nfs/dbraw/zinc/56/89/90/948568990.db2.gz UUQBAJMVPOPNBH-SDDRHHMPSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573730381 948581531 /nfs/dbraw/zinc/58/15/31/948581531.db2.gz PKULLXXPIUGOPX-YRGRVCCFSA-N 0 1 379.428 0.584 20 0 GCADMN C[C@H](C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573730979 948587890 /nfs/dbraw/zinc/58/78/90/948587890.db2.gz UPLFAYJCUPJKHE-OBJOEFQTSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)c1cnn(C)c1 ZINC001573740056 948627582 /nfs/dbraw/zinc/62/75/82/948627582.db2.gz CTOXWNQUSZCQNL-NTZNESFSSA-N 0 1 382.432 0.135 20 0 GCADMN C[C@H](C(=O)N[C@H](CC(N)=O)c1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573742572 948662742 /nfs/dbraw/zinc/66/27/42/948662742.db2.gz MKBFZQDXNBMFPL-LDYMZIIASA-N 0 1 389.807 0.406 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)n1cncn1 ZINC001573742582 948663232 /nfs/dbraw/zinc/66/32/32/948663232.db2.gz MVCSPNWTTXUUJR-RQJHMYQMSA-N 0 1 382.841 0.746 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573745192 948669889 /nfs/dbraw/zinc/66/98/89/948669889.db2.gz CHZNYXKIMRWYST-AVGNSLFASA-N 0 1 382.432 0.376 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573746464 948682177 /nfs/dbraw/zinc/68/21/77/948682177.db2.gz MAWJBRCBOINJGH-IHRRRGAJSA-N 0 1 381.444 0.981 20 0 GCADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573746541 948683774 /nfs/dbraw/zinc/68/37/74/948683774.db2.gz NWXWGGXJHOYLLG-JHJVBQTASA-N 0 1 382.432 0.376 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCCC1 ZINC001573747412 948690490 /nfs/dbraw/zinc/69/04/90/948690490.db2.gz OXAQSZKWTSTGPM-MELADBBJSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001573747479 948691844 /nfs/dbraw/zinc/69/18/44/948691844.db2.gz VHCNNWJVHOMSJP-AAVRWANBSA-N 0 1 386.460 0.733 20 0 GCADMN CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001574416410 948750202 /nfs/dbraw/zinc/75/02/02/948750202.db2.gz UVDIEYVKCJTKRY-ZDUSSCGKSA-N 0 1 382.428 0.405 20 0 GCADMN C[C@@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001574679173 948768912 /nfs/dbraw/zinc/76/89/12/948768912.db2.gz POWZHQKCSWNGSD-UWVGGRQHSA-N 0 1 383.420 0.202 20 0 GCADMN CC(F)(F)CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575223816 948770968 /nfs/dbraw/zinc/77/09/68/948770968.db2.gz GAMZBWGUNRTGAD-UHFFFAOYSA-N 0 1 382.375 0.150 20 0 GCADMN CC(F)(F)C1(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575223969 948774941 /nfs/dbraw/zinc/77/49/41/948774941.db2.gz QZQHUTSXIUQJGT-JTQLQIEISA-N 0 1 378.387 0.917 20 0 GCADMN C[C@H](C(N)=O)N1CC[C@]2(C1)CCCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001573755664 948779529 /nfs/dbraw/zinc/77/95/29/948779529.db2.gz RVTOBYQMKRYVJA-XIKOKIGWSA-N 0 1 386.460 0.387 20 0 GCADMN C[C@@H](C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756044 948792576 /nfs/dbraw/zinc/79/25/76/948792576.db2.gz LMSATYYTEKKPBI-ZETCQYMHSA-N 0 1 380.365 0.201 20 0 GCADMN C[C@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918303 948840864 /nfs/dbraw/zinc/84/08/64/948840864.db2.gz IRDUZXMNWPEKAX-LLVKDONJSA-N 0 1 375.462 0.594 20 0 GCADMN C[C@H](CNC(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574918303 948840888 /nfs/dbraw/zinc/84/08/88/948840888.db2.gz IRDUZXMNWPEKAX-LLVKDONJSA-N 0 1 375.462 0.594 20 0 GCADMN CC(C)c1ccsc1C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574424125 948845145 /nfs/dbraw/zinc/84/51/45/948845145.db2.gz FTKFWAJJEWNMHM-JTQLQIEISA-N 0 1 388.457 0.466 20 0 GCADMN C[C@@H](CNC(=O)CCCn1cncn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918624 948852867 /nfs/dbraw/zinc/85/28/67/948852867.db2.gz OZPYLMFRHLPRPT-LBPRGKRZSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@@H](CNC(=O)CCCn1cncn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918624 948852885 /nfs/dbraw/zinc/85/28/85/948852885.db2.gz OZPYLMFRHLPRPT-LBPRGKRZSA-N 0 1 389.489 0.937 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573762717 948860185 /nfs/dbraw/zinc/86/01/85/948860185.db2.gz ZJPGPCBOPJNAJD-SECBINFHSA-N 0 1 384.366 0.928 20 0 GCADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574919027 948869553 /nfs/dbraw/zinc/86/95/53/948869553.db2.gz UPBWMGYVXNGRND-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN CC(C)c1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001574425710 948879814 /nfs/dbraw/zinc/87/98/14/948879814.db2.gz LOQJNFHTOOUVDJ-RYUDHWBXSA-N 0 1 382.432 0.535 20 0 GCADMN CC(C)c1nnc(CNC2CC(N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001574426014 948883098 /nfs/dbraw/zinc/88/30/98/948883098.db2.gz PNHNDWWFSJWAFT-UHFFFAOYSA-N 0 1 384.448 0.829 20 0 GCADMN CC(C)c1nc(CN2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n[nH]1 ZINC001574425755 948885153 /nfs/dbraw/zinc/88/51/53/948885153.db2.gz MUUPWQGAEOCMJX-UHFFFAOYSA-N 0 1 384.448 0.784 20 0 GCADMN CC(C)c1nc(CN2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC001574427060 948895389 /nfs/dbraw/zinc/89/53/89/948895389.db2.gz XWUMJRWOWLVGJG-UHFFFAOYSA-N 0 1 384.448 0.784 20 0 GCADMN CC(C)c1nnc(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001574427477 948904146 /nfs/dbraw/zinc/90/41/46/948904146.db2.gz FSWVBJFLDSUUOP-UMSPYCQHSA-N 0 1 384.448 0.735 20 0 GCADMN CC(C)c1nnc(CN[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)[nH]1 ZINC001574427729 948910001 /nfs/dbraw/zinc/91/00/01/948910001.db2.gz MLOFCXWFMJRUKA-PHIMTYICSA-N 0 1 384.448 0.735 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573772054 948949395 /nfs/dbraw/zinc/94/93/95/948949395.db2.gz PNFVPTFBWUSPPQ-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433594 948960655 /nfs/dbraw/zinc/96/06/55/948960655.db2.gz XVRIAUSGLRRJFS-QWRGUYRKSA-N 0 1 382.432 0.611 20 0 GCADMN CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001575239589 948964638 /nfs/dbraw/zinc/96/46/38/948964638.db2.gz UYGSALHLVKMOGB-NXEZZACHSA-N 0 1 382.375 0.148 20 0 GCADMN C[C@@H](CNC(=O)CCn1ccnn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574924315 948969278 /nfs/dbraw/zinc/96/92/78/948969278.db2.gz ZJNQJFVEFBKVRP-NSHDSACASA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](CNC(=O)CCn1ccnn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574924315 948969292 /nfs/dbraw/zinc/96/92/92/948969292.db2.gz ZJNQJFVEFBKVRP-NSHDSACASA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574926059 948984253 /nfs/dbraw/zinc/98/42/53/948984253.db2.gz HGHCFYUIKDYVNY-NSHDSACASA-N 0 1 375.408 0.223 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573773569 948985913 /nfs/dbraw/zinc/98/59/13/948985913.db2.gz MAGYZFOCQZRUGF-STQMWFEESA-N 0 1 386.460 0.947 20 0 GCADMN C[C@H](F)CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575243117 948992198 /nfs/dbraw/zinc/99/21/98/948992198.db2.gz NJLNTHPZJLMRBK-GXTWGEPZSA-N 0 1 379.440 0.842 20 0 GCADMN CC(C)c1nnsc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574439520 949007859 /nfs/dbraw/zinc/00/78/59/949007859.db2.gz GLZZFUOXQQAELK-UHFFFAOYSA-N 0 1 388.461 0.840 20 0 GCADMN C[C@H](CNC(=O)CN1CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574926601 949012922 /nfs/dbraw/zinc/01/29/22/949012922.db2.gz AOOJXCMESGYCOO-GFCCVEGCSA-N 0 1 379.428 0.058 20 0 GCADMN C[C@@H](CNC(=O)CN(C)c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574926812 949023230 /nfs/dbraw/zinc/02/32/30/949023230.db2.gz XXOUIJFPYRIAFI-CYBMUJFWSA-N 0 1 381.444 0.379 20 0 GCADMN C[C@](CNC(=O)CN1CCCC1)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001574926750 949023540 /nfs/dbraw/zinc/02/35/40/949023540.db2.gz WRROHWWNBZVVKS-GOSISDBHSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575245484 949024893 /nfs/dbraw/zinc/02/48/93/949024893.db2.gz CIHKVZZQASFRQF-GFCCVEGCSA-N 0 1 388.476 0.707 20 0 GCADMN CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574440657 949032661 /nfs/dbraw/zinc/03/26/61/949032661.db2.gz BDGYUSANKQEFPV-GFCCVEGCSA-N 0 1 385.428 0.945 20 0 GCADMN CC(C)(C(=O)NC[C@H](O)CNc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCCC1 ZINC001573775315 949038325 /nfs/dbraw/zinc/03/83/25/949038325.db2.gz WESKQDCVRBJWPR-CQSZACIVSA-N 0 1 388.476 0.415 20 0 GCADMN CC(C)c1nnsc1C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574440851 949039236 /nfs/dbraw/zinc/03/92/36/949039236.db2.gz WOOOBHFYPNXEAM-IUCAKERBSA-N 0 1 388.461 0.672 20 0 GCADMN CC(C)c1noc(CCC(=O)N(C)CCNc2ccncc2-c2nn[nH]n2)n1 ZINC001574440958 949041671 /nfs/dbraw/zinc/04/16/71/949041671.db2.gz ZQDAMHZHGJLYOE-UHFFFAOYSA-N 0 1 385.432 0.693 20 0 GCADMN C[C@@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574692972 949045099 /nfs/dbraw/zinc/04/50/99/949045099.db2.gz FFCVZLCJLALCAX-STQMWFEESA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602786479 971535394 /nfs/dbraw/zinc/53/53/94/971535394.db2.gz UABBZGPXYADDLX-ODCFSMADSA-N 0 1 390.436 0.706 20 0 GCADMN C[C@H](CN(C)C(=O)C(C)(C)[C@H]1CCCCO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574692969 949047592 /nfs/dbraw/zinc/04/75/92/949047592.db2.gz FFCVZLCJLALCAX-CHWSQXEVSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CN(C)C(=O)C(=O)NCC1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574693329 949056373 /nfs/dbraw/zinc/05/63/73/949056373.db2.gz GSUGEYBMRXALKH-LLVKDONJSA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)c1nocc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441636 949065521 /nfs/dbraw/zinc/06/55/21/949065521.db2.gz QGKQNLKLMSDXKR-XYPYZODXSA-N 0 1 383.416 0.811 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574928979 949068517 /nfs/dbraw/zinc/06/85/17/949068517.db2.gz UXGWQQDFNGOMMG-JTQLQIEISA-N 0 1 386.441 0.092 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)NC/C=C\CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575504478 949071745 /nfs/dbraw/zinc/07/17/45/949071745.db2.gz VMMUCUVOKYPSKO-DLGQBQFBSA-N 0 1 381.400 0.025 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCC1 ZINC001573779864 949072747 /nfs/dbraw/zinc/07/27/47/949072747.db2.gz OGAUHVXMZPFAKX-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573779864 949072770 /nfs/dbraw/zinc/07/27/70/949072770.db2.gz OGAUHVXMZPFAKX-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1c[nH]cn1 ZINC001573779900 949074825 /nfs/dbraw/zinc/07/48/25/949074825.db2.gz PFBOBAHPTITEPF-NSHDSACASA-N 0 1 382.432 0.443 20 0 GCADMN C[C@@H](CNC(=O)COCc1ccncc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574929272 949085837 /nfs/dbraw/zinc/08/58/37/949085837.db2.gz BRTOBQIPOSFWJY-ZDUSSCGKSA-N 0 1 382.428 0.814 20 0 GCADMN C[C@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccncc1-c1nn[nH]n1 ZINC001574929266 949086353 /nfs/dbraw/zinc/08/63/53/949086353.db2.gz BQUCEDXDQKCNSL-STQMWFEESA-N 0 1 375.433 0.043 20 0 GCADMN C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575249673 949102283 /nfs/dbraw/zinc/10/22/83/949102283.db2.gz ZYLSZCPCQIZELN-NWDGAFQWSA-N 0 1 386.460 0.247 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573781589 949109389 /nfs/dbraw/zinc/10/93/89/949109389.db2.gz JLVAEPWYGCRXRJ-BETUJISGSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573781589 949109401 /nfs/dbraw/zinc/10/94/01/949109401.db2.gz JLVAEPWYGCRXRJ-BETUJISGSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccsc1-c1nn[nH]n1)C(N)=O ZINC001575510125 949120032 /nfs/dbraw/zinc/12/00/32/949120032.db2.gz GJFCMNLHBZNCGJ-BXKDBHETSA-N 0 1 392.466 0.864 20 0 GCADMN C[C@H](CNC(=O)CO[C@@H]1CCOC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574932173 949129136 /nfs/dbraw/zinc/12/91/36/949129136.db2.gz VMCLJCSEIYWAGA-HTQZYQBOSA-N 0 1 387.853 0.699 20 0 GCADMN CC(C)[C@@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001574094119 949129171 /nfs/dbraw/zinc/12/91/71/949129171.db2.gz XLZFATUVHHEERZ-STQMWFEESA-N 0 1 386.460 0.448 20 0 GCADMN CC(C)[C@@H]1C[C@@H](C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001574094437 949136582 /nfs/dbraw/zinc/13/65/82/949136582.db2.gz WBXLXWFGUWTEBR-KBPBESRZSA-N 0 1 386.460 0.757 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573783129 949141335 /nfs/dbraw/zinc/14/13/35/949141335.db2.gz RXUILIOZPLEGGT-JOCQHMNTSA-N 0 1 385.476 0.260 20 0 GCADMN C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602793189 971554464 /nfs/dbraw/zinc/55/44/64/971554464.db2.gz TVANWCKYRWYAMT-BZIRYSOJSA-N 0 1 376.409 0.364 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575252455 949164439 /nfs/dbraw/zinc/16/44/39/949164439.db2.gz GHKINOMPFUIEMQ-CHWSQXEVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575252455 949164458 /nfs/dbraw/zinc/16/44/58/949164458.db2.gz GHKINOMPFUIEMQ-CHWSQXEVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)Cc1cnc[nH]1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574697907 949167267 /nfs/dbraw/zinc/16/72/67/949167267.db2.gz DCFALJWAIDLCGT-GHMZBOCLSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@H](c1cnccn1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575514477 949167683 /nfs/dbraw/zinc/16/76/83/949167683.db2.gz CBIWGMNBWVGMJT-GFCCVEGCSA-N 0 1 379.428 0.894 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698188 949180111 /nfs/dbraw/zinc/18/01/11/949180111.db2.gz HBCNAJLPCTYSHZ-OLZOCXBDSA-N 0 1 382.428 0.805 20 0 GCADMN C[C@H](c1cnccn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001575515088 949181517 /nfs/dbraw/zinc/18/15/17/949181517.db2.gz FXVANBHJCKFLNL-ZRJCITRHSA-N 0 1 379.428 0.654 20 0 GCADMN CC(C)S(=O)(=O)CC(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574934862 949184475 /nfs/dbraw/zinc/18/44/75/949184475.db2.gz SWSIIZGVYAAYLD-LLVKDONJSA-N 0 1 381.462 0.026 20 0 GCADMN C[C@@H](CNC(=O)COc1ccccc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574935103 949195662 /nfs/dbraw/zinc/19/56/62/949195662.db2.gz ZEQKLPJFKQHZPY-NSHDSACASA-N 0 1 386.391 0.816 20 0 GCADMN CC(C)c1oncc1C(=O)N1C[C@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574449886 949203824 /nfs/dbraw/zinc/20/38/24/949203824.db2.gz UUILDYLUCBUNJH-CMPLNLGQSA-N 0 1 383.416 0.763 20 0 GCADMN C[C@@H](c1cnccn1)N1CCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001575516533 949206918 /nfs/dbraw/zinc/20/69/18/949206918.db2.gz PSMUNQXUBVHCIJ-LBPRGKRZSA-N 0 1 379.428 0.894 20 0 GCADMN CC1(Nc2cnc(-c3nn[nH]n3)cn2)CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001575853587 949218649 /nfs/dbraw/zinc/21/86/49/949218649.db2.gz UMURVYQSZOGSIS-UHFFFAOYSA-N 0 1 383.420 0.201 20 0 GCADMN CC(C)c1oncc1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574451250 949223377 /nfs/dbraw/zinc/22/33/77/949223377.db2.gz IFPMXYDDRGPBDB-SNVBAGLBSA-N 0 1 391.457 0.920 20 0 GCADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)C2(F)CCOCC2)CC1 ZINC001575854383 949227777 /nfs/dbraw/zinc/22/77/77/949227777.db2.gz UAXOQBLVFVXCPY-UHFFFAOYSA-N 0 1 389.435 0.995 20 0 GCADMN CC(C)n1cc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574451926 949247225 /nfs/dbraw/zinc/24/72/25/949247225.db2.gz AWMVHESMRCAIFK-GFCCVEGCSA-N 0 1 382.432 0.430 20 0 GCADMN CC(C)n1cc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)cn1 ZINC001574452221 949258912 /nfs/dbraw/zinc/25/89/12/949258912.db2.gz GVBCKVQNJTVRSB-UHFFFAOYSA-N 0 1 382.432 0.621 20 0 GCADMN CC(C)n1cc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574452517 949265065 /nfs/dbraw/zinc/26/50/65/949265065.db2.gz LSYKEUCAOHEGDK-ZDUSSCGKSA-N 0 1 382.432 0.785 20 0 GCADMN CC(C)n1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574452944 949275023 /nfs/dbraw/zinc/27/50/23/949275023.db2.gz SBGTZFPKLDXFLW-ZDUSSCGKSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1cc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574453140 949277862 /nfs/dbraw/zinc/27/78/62/949277862.db2.gz XBKWWCIWIRCPHQ-ZDUSSCGKSA-N 0 1 382.432 0.785 20 0 GCADMN C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1 ZINC001575257816 949285053 /nfs/dbraw/zinc/28/50/53/949285053.db2.gz BXXFUJFYFAOXMQ-GFCCVEGCSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H](NC(=O)C1=COCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575258029 949286510 /nfs/dbraw/zinc/28/65/10/949286510.db2.gz CXRUSOUUYLJGOP-LLVKDONJSA-N 0 1 388.403 0.831 20 0 GCADMN C[C@H](NC(=O)C1=COCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575258030 949286746 /nfs/dbraw/zinc/28/67/46/949286746.db2.gz CXRUSOUUYLJGOP-NSHDSACASA-N 0 1 388.403 0.831 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574941208 949293600 /nfs/dbraw/zinc/29/36/00/949293600.db2.gz PJLJHOKJAWXRSW-NSHDSACASA-N 0 1 380.412 0.268 20 0 GCADMN CC(C)n1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCC2)n1 ZINC001574457134 949315180 /nfs/dbraw/zinc/31/51/80/949315180.db2.gz AKHBVARPMDUFGH-UHFFFAOYSA-N 0 1 382.432 0.621 20 0 GCADMN CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2nc3cc(-c4nn[nH]n4)ccc3[nH]2)C1 ZINC001573794716 949317538 /nfs/dbraw/zinc/31/75/38/949317538.db2.gz IBIKSPOJRDXGDP-ZDUSSCGKSA-N 0 1 398.427 0.955 20 0 GCADMN C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703350 949323530 /nfs/dbraw/zinc/32/35/30/949323530.db2.gz BKFJSDZTRMQOAS-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703350 949323553 /nfs/dbraw/zinc/32/35/53/949323553.db2.gz BKFJSDZTRMQOAS-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)n1ccc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574458103 949336530 /nfs/dbraw/zinc/33/65/30/949336530.db2.gz PDOFPPKKZQVKPC-GFCCVEGCSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001574703620 949342680 /nfs/dbraw/zinc/34/26/80/949342680.db2.gz DTUGZPZRYWBBLK-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574703620 949342698 /nfs/dbraw/zinc/34/26/98/949342698.db2.gz DTUGZPZRYWBBLK-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574942295 949347040 /nfs/dbraw/zinc/34/70/40/949347040.db2.gz XYASMOXAOWQBDP-CYBMUJFWSA-N 0 1 392.467 0.974 20 0 GCADMN C[C@@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574703730 949348414 /nfs/dbraw/zinc/34/84/14/949348414.db2.gz XIPDYOFEPRBBKJ-LBPRGKRZSA-N 0 1 379.428 0.464 20 0 GCADMN CC(C)n1cccc1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001574459386 949358314 /nfs/dbraw/zinc/35/83/14/949358314.db2.gz DILSTJIKTXPCOI-UHFFFAOYSA-N 0 1 385.432 0.008 20 0 GCADMN C[C@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260799 949365352 /nfs/dbraw/zinc/36/53/52/949365352.db2.gz XQRPXMGORHOFHR-JSGCOSHPSA-N 0 1 384.444 0.725 20 0 GCADMN CC(C)n1ccc(CNC[C@H](O)CN(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574459876 949369729 /nfs/dbraw/zinc/36/97/29/949369729.db2.gz NQHYVIUWBBMRMJ-ZDUSSCGKSA-N 0 1 387.448 0.195 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573799640 949376653 /nfs/dbraw/zinc/37/66/53/949376653.db2.gz OMSMCFKJKRLJRU-LLVKDONJSA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573799640 949376671 /nfs/dbraw/zinc/37/66/71/949376671.db2.gz OMSMCFKJKRLJRU-LLVKDONJSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H]1CCC[C@H](OCC(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576154962 949376857 /nfs/dbraw/zinc/37/68/57/949376857.db2.gz SLTWWOQMRUGJOS-KGLIPLIRSA-N 0 1 386.460 0.901 20 0 GCADMN CC1(C)CN(C(=O)[C@@]2(C)CCCOC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575527995 949385831 /nfs/dbraw/zinc/38/58/31/949385831.db2.gz KTIFLTXTXDQVRM-SGTLLEGYSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCCOC1 ZINC001575528674 949406136 /nfs/dbraw/zinc/40/61/36/949406136.db2.gz ZJKYQUYOAFGFEF-JCGVRSQUSA-N 0 1 384.444 0.653 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574464306 949407797 /nfs/dbraw/zinc/40/77/97/949407797.db2.gz JRLHVJXBHZHACP-KRWDZBQOSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1cnc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001574464373 949412179 /nfs/dbraw/zinc/41/21/79/949412179.db2.gz MIAPCDPCLUBNBQ-UHFFFAOYSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574704949 949412748 /nfs/dbraw/zinc/41/27/48/949412748.db2.gz GHHHQGNVAANVMO-RYUDHWBXSA-N 0 1 381.444 0.786 20 0 GCADMN C[C@@H](CNC(=O)Cc1cnn(C)c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574945734 949414221 /nfs/dbraw/zinc/41/42/21/949414221.db2.gz NBLHCZAMWQJCLV-ZETCQYMHSA-N 0 1 381.853 0.869 20 0 GCADMN C[C@@H](NC(=O)C1CCOCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575264798 949435681 /nfs/dbraw/zinc/43/56/81/949435681.db2.gz QODRBXJDFNOUAC-TZMCWYRMSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574947793 949453438 /nfs/dbraw/zinc/45/34/38/949453438.db2.gz DIEQMSGMWUHNAB-SECBINFHSA-N 0 1 392.374 0.432 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001574467990 949453491 /nfs/dbraw/zinc/45/34/91/949453491.db2.gz CFBZJNSQOFRMDF-NEPJUHHUSA-N 0 1 382.432 0.831 20 0 GCADMN CC(C)n1nccc1C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574468123 949456490 /nfs/dbraw/zinc/45/64/90/949456490.db2.gz KTRWVUYPLUCFNK-GFCCVEGCSA-N 0 1 385.432 0.006 20 0 GCADMN CC1(C(=O)N2CCC3(CC2)CN(c2ccnc(-c4nn[nH]n4)n2)CCO3)CC1 ZINC001575535957 949457267 /nfs/dbraw/zinc/45/72/67/949457267.db2.gz CHGUMYKCDVXVHV-UHFFFAOYSA-N 0 1 384.444 0.655 20 0 GCADMN C[C@@H](CN(C)C(=O)C1CC2(C1)CCOCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574706724 949460197 /nfs/dbraw/zinc/46/01/97/949460197.db2.gz MDVBEMLYMOPJQI-LBPRGKRZSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@H](NC(=O)[C@H]1CCCCN1C)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575266005 949460912 /nfs/dbraw/zinc/46/09/12/949460912.db2.gz WOUILSYTXBFTQO-IAQYHMDHSA-N 0 1 386.460 0.256 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573804082 949461768 /nfs/dbraw/zinc/46/17/68/949461768.db2.gz SDUBIVGJOIEXPZ-HAQNSBGRSA-N 0 1 386.460 0.153 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573804211 949468625 /nfs/dbraw/zinc/46/86/25/949468625.db2.gz TWHGPMXWPAFWPM-UHFFFAOYSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@H](CNC(=O)Cn1cncn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949160 949487088 /nfs/dbraw/zinc/48/70/88/949487088.db2.gz RJDFKIDWKWJAIZ-SSDOTTSWSA-N 0 1 382.841 0.209 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470039 949488923 /nfs/dbraw/zinc/48/89/23/949488923.db2.gz LCKKBFCEELQEOS-HAQNSBGRSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574708545 949493661 /nfs/dbraw/zinc/49/36/61/949493661.db2.gz WJYBJIYTPOIBQK-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574708545 949493672 /nfs/dbraw/zinc/49/36/72/949493672.db2.gz WJYBJIYTPOIBQK-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](CNC(=O)Cn1cncn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949424 949495845 /nfs/dbraw/zinc/49/58/45/949495845.db2.gz WAEQKAMRHHKQMZ-SSDOTTSWSA-N 0 1 382.841 0.433 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574120900 949512242 /nfs/dbraw/zinc/51/22/42/949512242.db2.gz OPKZQOWWCULXDU-CYBMUJFWSA-N 0 1 388.476 0.495 20 0 GCADMN CC(C)n1ncnc1CNC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574470773 949512312 /nfs/dbraw/zinc/51/23/12/949512312.db2.gz GPRUQVMCZNVESD-UHFFFAOYSA-N 0 1 384.448 0.762 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574710892 949518373 /nfs/dbraw/zinc/51/83/73/949518373.db2.gz BSOCERGJRKFBHY-YPMHNXCESA-N 0 1 379.428 0.462 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574122007 949520840 /nfs/dbraw/zinc/52/08/40/949520840.db2.gz SPYJBMYVISPBQD-ZDUSSCGKSA-N 0 1 386.460 0.249 20 0 GCADMN CC(C)(C)[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)CN1CCCC1 ZINC001573808713 949521648 /nfs/dbraw/zinc/52/16/48/949521648.db2.gz IRWSZZLWSGFZPL-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](NC(=O)C[C@@H]1CCNC1=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268520 949523933 /nfs/dbraw/zinc/52/39/33/949523933.db2.gz NGHSKMRROOCLBP-WFASDCNBSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cocn1 ZINC001576160062 949526538 /nfs/dbraw/zinc/52/65/38/949526538.db2.gz ZHJQCVBBUSZZGP-PIGZYNQJSA-N 0 1 383.416 0.857 20 0 GCADMN C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163389 949530997 /nfs/dbraw/zinc/53/09/97/949530997.db2.gz ASGNGILJACCBLN-OLZOCXBDSA-N 0 1 386.460 0.423 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872062 949532847 /nfs/dbraw/zinc/53/28/47/949532847.db2.gz FQIJHHRDESKWHZ-GXTWGEPZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872062 949532866 /nfs/dbraw/zinc/53/28/66/949532866.db2.gz FQIJHHRDESKWHZ-GXTWGEPZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1Cc2ccc(F)cc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711634 949547524 /nfs/dbraw/zinc/54/75/24/949547524.db2.gz JQOBCVMMKTVXTM-YGRLFVJLSA-N 0 1 382.403 0.816 20 0 GCADMN C[C@@H](OCc1ccccc1)C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574950976 949547673 /nfs/dbraw/zinc/54/76/73/949547673.db2.gz VENULAWUMKLSGO-QWHCGFSZSA-N 0 1 382.428 0.601 20 0 GCADMN C[C@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574472358 949552572 /nfs/dbraw/zinc/55/25/72/949552572.db2.gz SZMRLVRJEQRNBZ-IYXRBSQSSA-N 0 1 381.444 0.933 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872839 949556436 /nfs/dbraw/zinc/55/64/36/949556436.db2.gz LPDHSPRWCMPKOG-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@H]1CCCC[C@H]1OCC(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164567 949558519 /nfs/dbraw/zinc/55/85/19/949558519.db2.gz HKWHCALRVKYIMS-UONOGXRCSA-N 0 1 388.476 0.934 20 0 GCADMN C[C@@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575269894 949565443 /nfs/dbraw/zinc/56/54/43/949565443.db2.gz XGSQDPIGSWXQQQ-OLZOCXBDSA-N 0 1 386.460 0.683 20 0 GCADMN CC(C)C[C@H](C(N)=O)C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574124668 949574670 /nfs/dbraw/zinc/57/46/70/949574670.db2.gz JBLGVCWGVYQPES-WXRRBKDZSA-N 0 1 386.460 0.138 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574712738 949590215 /nfs/dbraw/zinc/59/02/15/949590215.db2.gz UCHAMLSPQGQKSV-CHWSQXEVSA-N 0 1 381.444 0.402 20 0 GCADMN CC(C)C[C@H](C(N)=O)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001574125550 949592970 /nfs/dbraw/zinc/59/29/70/949592970.db2.gz SMFGMWAMSKDNFS-GFCCVEGCSA-N 0 1 391.501 0.814 20 0 GCADMN CC(C)(C)[C@@H](CNCc1cnns1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811272 949594553 /nfs/dbraw/zinc/59/45/53/949594553.db2.gz IVZRVRDJWWDPCS-GFCCVEGCSA-N 0 1 375.462 0.981 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574957044 949597627 /nfs/dbraw/zinc/59/76/27/949597627.db2.gz RAPFSTNZNVVMTD-YGRLFVJLSA-N 0 1 375.408 0.221 20 0 GCADMN CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574125920 949599104 /nfs/dbraw/zinc/59/91/04/949599104.db2.gz WOLCACWDKMDDEM-QWHCGFSZSA-N 0 1 386.460 0.234 20 0 GCADMN CC(C)C[C@@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574126072 949599429 /nfs/dbraw/zinc/59/94/29/949599429.db2.gz YTSQVQBQVRHTIZ-ZDUSSCGKSA-N 0 1 384.448 0.433 20 0 GCADMN C[C@@H](NC(=O)CCCC(N)=O)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575270898 949604784 /nfs/dbraw/zinc/60/47/84/949604784.db2.gz GYPNJKYQTUDZEQ-LLVKDONJSA-N 0 1 389.435 0.598 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574713720 949607334 /nfs/dbraw/zinc/60/73/34/949607334.db2.gz BOCWWHNJLMGFPM-STQMWFEESA-N 0 1 381.444 0.926 20 0 GCADMN C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576167579 949612548 /nfs/dbraw/zinc/61/25/48/949612548.db2.gz QXEDOQQRRWRXLG-WFASDCNBSA-N 0 1 385.428 0.611 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1COC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574713897 949615492 /nfs/dbraw/zinc/61/54/92/949615492.db2.gz ZAUBEFARSJLZQB-TVQRCGJNSA-N 0 1 377.380 0.051 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001574476769 949620143 /nfs/dbraw/zinc/62/01/43/949620143.db2.gz JTTIRICGPTYKNE-CHWSQXEVSA-N 0 1 385.428 0.702 20 0 GCADMN CC(C)(C)[C@H](CNCc1cnns1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573812906 949625949 /nfs/dbraw/zinc/62/59/49/949625949.db2.gz WAUOSFIMJBJLMS-LBPRGKRZSA-N 0 1 375.462 0.981 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575875214 949627524 /nfs/dbraw/zinc/62/75/24/949627524.db2.gz HPLVJEVXTUFYMO-FZMZJTMJSA-N 0 1 382.432 0.486 20 0 GCADMN CC1(C(=O)N2CCN([C@@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)CC2)CC1 ZINC001575547574 949632283 /nfs/dbraw/zinc/63/22/83/949632283.db2.gz AQSDYCVSLNCRSX-CYBMUJFWSA-N 0 1 383.460 0.180 20 0 GCADMN CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001574129320 949638665 /nfs/dbraw/zinc/63/86/65/949638665.db2.gz TYDSKMWAVIEJRO-OLZOCXBDSA-N 0 1 388.476 0.785 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001575272419 949646456 /nfs/dbraw/zinc/64/64/56/949646456.db2.gz QOOZLOLEQROXHX-UONOGXRCSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575272419 949646470 /nfs/dbraw/zinc/64/64/70/949646470.db2.gz QOOZLOLEQROXHX-UONOGXRCSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168886 949653725 /nfs/dbraw/zinc/65/37/25/949653725.db2.gz CVBYMXOZMBITFF-WCQYABFASA-N 0 1 383.416 0.348 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001573815603 949655446 /nfs/dbraw/zinc/65/54/46/949655446.db2.gz JCTYZQCLMZPWDQ-OLZOCXBDSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2nc[nH]n2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575877101 949657474 /nfs/dbraw/zinc/65/74/74/949657474.db2.gz KURXSTVEQKDEIU-AAEUAGOBSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccc[nH]2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168974 949658996 /nfs/dbraw/zinc/65/89/96/949658996.db2.gz DEXHZYSONBGNAC-TZMCWYRMSA-N 0 1 381.444 0.688 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1nccn1C ZINC001576169092 949662989 /nfs/dbraw/zinc/66/29/89/949662989.db2.gz FDQSZLRVVIDQPE-DOMZBBRYSA-N 0 1 383.460 0.959 20 0 GCADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1c[nH]nn1 ZINC001573815980 949667723 /nfs/dbraw/zinc/66/77/23/949667723.db2.gz NCVHRUUPUMBTNR-AWEZNQCLSA-N 0 1 384.448 0.955 20 0 GCADMN CC1(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOCC1 ZINC001575548350 949668884 /nfs/dbraw/zinc/66/88/84/949668884.db2.gz XUOFPMPJADSQQO-ZDUSSCGKSA-N 0 1 387.444 0.140 20 0 GCADMN C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574958403 949669145 /nfs/dbraw/zinc/66/91/45/949669145.db2.gz QPZSAOPMQSHDAE-FZVNPBSJSA-N 0 1 383.865 0.954 20 0 GCADMN C[C@@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575548392 949675537 /nfs/dbraw/zinc/67/55/37/949675537.db2.gz ZDUBVNHBWXVOLB-SJKOYZFVSA-N 0 1 392.485 0.672 20 0 GCADMN C[C@@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575548392 949675556 /nfs/dbraw/zinc/67/55/56/949675556.db2.gz ZDUBVNHBWXVOLB-SJKOYZFVSA-N 0 1 392.485 0.672 20 0 GCADMN C[C@@H](NC(=O)CCc1cnc[nH]1)C1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575275035 949691943 /nfs/dbraw/zinc/69/19/43/949691943.db2.gz BQSFHUOTEDPVCO-SNVBAGLBSA-N 0 1 383.416 0.127 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574958996 949698453 /nfs/dbraw/zinc/69/84/53/949698453.db2.gz PFWGQJNBBXCXSG-FPMFFAJLSA-N 0 1 381.444 0.740 20 0 GCADMN C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575275843 949700157 /nfs/dbraw/zinc/70/01/57/949700157.db2.gz FAUXJNZURSHCGB-NWDGAFQWSA-N 0 1 382.428 0.722 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1ccnn1 ZINC001573817723 949702605 /nfs/dbraw/zinc/70/26/05/949702605.db2.gz AKNJPSALFDDQJD-AWEZNQCLSA-N 0 1 384.448 0.308 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574478380 949703720 /nfs/dbraw/zinc/70/37/20/949703720.db2.gz YWHXVEJEKBKEDB-VXGBXAGGSA-N 0 1 386.416 0.097 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574478378 949704571 /nfs/dbraw/zinc/70/45/71/949704571.db2.gz YWHXVEJEKBKEDB-RYUDHWBXSA-N 0 1 386.416 0.097 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575880622 949704693 /nfs/dbraw/zinc/70/46/93/949704693.db2.gz UZACTVLNHOQRTJ-ZWNOBZJWSA-N 0 1 383.416 0.270 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001573817702 949705038 /nfs/dbraw/zinc/70/50/38/949705038.db2.gz AIVSCCMJPIBYML-FZMZJTMJSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2nc[nH]n2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575881256 949714441 /nfs/dbraw/zinc/71/44/41/949714441.db2.gz WVTGEHHNMPTCJZ-AAEUAGOBSA-N 0 1 382.432 0.486 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cncs1 ZINC001573818097 949717421 /nfs/dbraw/zinc/71/74/21/949717421.db2.gz GCRYMQLNKYUDJX-LLVKDONJSA-N 0 1 387.473 0.721 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573818157 949721907 /nfs/dbraw/zinc/72/19/07/949721907.db2.gz HFIMYFHKJMHPFG-FVCCEPFGSA-N 0 1 386.460 0.589 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001573818158 949722893 /nfs/dbraw/zinc/72/28/93/949722893.db2.gz HFIMYFHKJMHPFG-NDBYEHHHSA-N 0 1 386.460 0.589 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001573818343 949729753 /nfs/dbraw/zinc/72/97/53/949729753.db2.gz LMHUQMTZFYGCSI-LLVKDONJSA-N 0 1 383.416 0.436 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575558771 949739957 /nfs/dbraw/zinc/73/99/57/949739957.db2.gz RVMFXMMOUZHIAV-XIKOKIGWSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574962925 949742950 /nfs/dbraw/zinc/74/29/50/949742950.db2.gz FOLUBSZSJJCLJR-IINYFYTJSA-N 0 1 375.408 0.269 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1COCCO1 ZINC001573819269 949748625 /nfs/dbraw/zinc/74/86/25/949748625.db2.gz SAAPCTRDBGBGHK-UONOGXRCSA-N 0 1 375.433 0.042 20 0 GCADMN C[C@@H](NC(=O)CCc1cnc[nH]1)C1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575277520 949752001 /nfs/dbraw/zinc/75/20/01/949752001.db2.gz QPNUSBSLGZZLDY-SNVBAGLBSA-N 0 1 383.416 0.127 20 0 GCADMN C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277554 949753803 /nfs/dbraw/zinc/75/38/03/949753803.db2.gz QWXMEKNSBWZHBP-GHMZBOCLSA-N 0 1 389.851 0.929 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573819749 949754094 /nfs/dbraw/zinc/75/40/94/949754094.db2.gz UNIGUJCJQFRKFR-NSHDSACASA-N 0 1 383.416 0.436 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574963761 949759053 /nfs/dbraw/zinc/75/90/53/949759053.db2.gz MQMJGNXHQWLHRF-QMTHXVAHSA-N 0 1 375.408 0.221 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CO[C@H]1CCOC1 ZINC001573820697 949767927 /nfs/dbraw/zinc/76/79/27/949767927.db2.gz YXNWWYMYRDDVJL-SWLSCSKDSA-N 0 1 389.460 0.432 20 0 GCADMN C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171496 949767971 /nfs/dbraw/zinc/76/79/71/949767971.db2.gz RGQCZJUXEVROJE-BIGJJFBESA-N 0 1 384.444 0.010 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1ccn(C)n1 ZINC001576171483 949768183 /nfs/dbraw/zinc/76/81/83/949768183.db2.gz RDLHGZHHCJTLEZ-WBMJQRKESA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@H](CC(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574481321 949774127 /nfs/dbraw/zinc/77/41/27/949774127.db2.gz OQEXOWHZCQHWSI-NSHDSACASA-N 0 1 387.448 0.136 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574964372 949775105 /nfs/dbraw/zinc/77/51/05/949775105.db2.gz VAEDGSHSLOFJJF-AXFHLTTASA-N 0 1 377.474 0.424 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574964372 949775123 /nfs/dbraw/zinc/77/51/23/949775123.db2.gz VAEDGSHSLOFJJF-AXFHLTTASA-N 0 1 377.474 0.424 20 0 GCADMN C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001576172283 949797735 /nfs/dbraw/zinc/79/77/35/949797735.db2.gz WCADSYMYDMSHLZ-LLVKDONJSA-N 0 1 379.446 0.189 20 0 GCADMN CC1(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCOCC1 ZINC001575562169 949823671 /nfs/dbraw/zinc/82/36/71/949823671.db2.gz DXBPBBAHUSBBIZ-ZDUSSCGKSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575883659 949824518 /nfs/dbraw/zinc/82/45/18/949824518.db2.gz SCBSITHUHVGBFI-WCQYABFASA-N 0 1 382.432 0.106 20 0 GCADMN C[C@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574966279 949838782 /nfs/dbraw/zinc/83/87/82/949838782.db2.gz WFHBPXLGMGVADU-SECBINFHSA-N 0 1 375.824 0.903 20 0 GCADMN C[C@@H](NC(=O)CN1CCCC1)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575282447 949839383 /nfs/dbraw/zinc/83/93/83/949839383.db2.gz BOGPOFKEFXOJAD-OLZOCXBDSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ncccn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177754 949852376 /nfs/dbraw/zinc/85/23/76/949852376.db2.gz BIIBRLZZTFOLQU-NEPJUHHUSA-N 0 1 380.416 0.221 20 0 GCADMN CC(C)(C)C12CC(C(=O)NC[C@H](O)CNc3ccnc(-c4nn[nH]n4)n3)(C1)C2 ZINC001573825200 949864215 /nfs/dbraw/zinc/86/42/15/949864215.db2.gz MRWVEUNLQUAIFS-IPPDQLOFSA-N 0 1 386.460 0.184 20 0 GCADMN CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3ccncc3-c3nn[nH]n3)(C1)C2 ZINC001573825299 949874914 /nfs/dbraw/zinc/87/49/14/949874914.db2.gz QOVXNCILVRNKRP-RMEHTXHKSA-N 0 1 385.472 0.789 20 0 GCADMN C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575283717 949880789 /nfs/dbraw/zinc/88/07/89/949880789.db2.gz HACBFYAIBHMYJV-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H](NC(=O)CN1CCC(C)(C)C1)[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575283773 949885877 /nfs/dbraw/zinc/88/58/77/949885877.db2.gz HNMYALHFCPEADX-VXGBXAGGSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178491 949888823 /nfs/dbraw/zinc/88/88/23/949888823.db2.gz BRYUHSRQRKMPAC-CMPLNLGQSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725073 949889512 /nfs/dbraw/zinc/88/95/12/949889512.db2.gz OWLZYUOQHCZMSP-LLVKDONJSA-N 0 1 377.474 0.487 20 0 GCADMN C[C@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725073 949889530 /nfs/dbraw/zinc/88/95/30/949889530.db2.gz OWLZYUOQHCZMSP-LLVKDONJSA-N 0 1 377.474 0.487 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575886581 949889748 /nfs/dbraw/zinc/88/97/48/949889748.db2.gz MYPXCADDFVEIGM-ZYHUDNBSSA-N 0 1 381.400 0.545 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178548 949892395 /nfs/dbraw/zinc/89/23/95/949892395.db2.gz CDWKKNWCNJFALV-NWDGAFQWSA-N 0 1 383.416 0.810 20 0 GCADMN C[C@H](NC(=O)CO[C@@H]1CCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575284341 949900327 /nfs/dbraw/zinc/90/03/27/949900327.db2.gz UHYMDOQLISPEMY-SUMWQHHRSA-N 0 1 386.456 0.609 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574484983 949914310 /nfs/dbraw/zinc/91/43/10/949914310.db2.gz TYPJONUZDUEIHR-KBPBESRZSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnccn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179437 949915731 /nfs/dbraw/zinc/91/57/31/949915731.db2.gz FXFZALKYEOGQFW-WBMJQRKESA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnccn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179428 949918007 /nfs/dbraw/zinc/91/80/07/949918007.db2.gz FXFZALKYEOGQFW-BLLLJJGKSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001574725979 949919048 /nfs/dbraw/zinc/91/90/48/949919048.db2.gz DZLZXBMLXXQBIH-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001574725979 949919070 /nfs/dbraw/zinc/91/90/70/949919070.db2.gz DZLZXBMLXXQBIH-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725949 949919625 /nfs/dbraw/zinc/91/96/25/949919625.db2.gz DQMQTYMVMRQFLU-NSHDSACASA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576179692 949923327 /nfs/dbraw/zinc/92/33/27/949923327.db2.gz BVQOHCPVYPQDBN-GXTWGEPZSA-N 0 1 382.428 0.811 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575889087 949925422 /nfs/dbraw/zinc/92/54/22/949925422.db2.gz RSRICGUDCSOOFE-GWCFXTLKSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](NC(=O)Cc1cc(C2CC2)no1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285027 949926627 /nfs/dbraw/zinc/92/66/27/949926627.db2.gz XVELUKWQWBESPV-NXEZZACHSA-N 0 1 383.416 0.492 20 0 GCADMN CC(C)C[C@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574146045 949932209 /nfs/dbraw/zinc/93/22/09/949932209.db2.gz WHFXBWXVJJZYDB-HIFRSBDPSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575285221 949935250 /nfs/dbraw/zinc/93/52/50/949935250.db2.gz LWIKGVXSVJFMMY-KBPBESRZSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)C[C@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574146266 949938931 /nfs/dbraw/zinc/93/89/31/949938931.db2.gz XCMDICPYTIIKPH-IHRRRGAJSA-N 0 1 388.476 0.979 20 0 GCADMN CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574146269 949941829 /nfs/dbraw/zinc/94/18/29/949941829.db2.gz XCMDICPYTIIKPH-MGPQQGTHSA-N 0 1 388.476 0.979 20 0 GCADMN C[C@@H](NC(=O)CCn1ccccc1=O)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285288 949942098 /nfs/dbraw/zinc/94/20/98/949942098.db2.gz MLOCYYSBGBLNAB-CHWSQXEVSA-N 0 1 382.428 0.241 20 0 GCADMN C[C@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574488394 949945375 /nfs/dbraw/zinc/94/53/75/949945375.db2.gz FAHZPUBRVMRRCZ-QLJPJBMISA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574488394 949945395 /nfs/dbraw/zinc/94/53/95/949945395.db2.gz FAHZPUBRVMRRCZ-QLJPJBMISA-N 0 1 392.489 0.456 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575285570 949951636 /nfs/dbraw/zinc/95/16/36/949951636.db2.gz OWBZBAZTTIAMTL-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575285570 949951651 /nfs/dbraw/zinc/95/16/51/949951651.db2.gz OWBZBAZTTIAMTL-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@@H](NC(=O)CNC(=O)C1CC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575285840 949962185 /nfs/dbraw/zinc/96/21/85/949962185.db2.gz RLHPBRSSTQJCJT-GFCCVEGCSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001574489342 949964266 /nfs/dbraw/zinc/96/42/66/949964266.db2.gz IVKPYCJTZQGQFX-PSASIEDQSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575890893 949968350 /nfs/dbraw/zinc/96/83/50/949968350.db2.gz BDOWGYIEAPMRDI-PWSUYJOCSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180811 949971211 /nfs/dbraw/zinc/97/12/11/949971211.db2.gz JFLRHKYMXIGHEV-MLGOLLRUSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574727628 949974731 /nfs/dbraw/zinc/97/47/31/949974731.db2.gz WLMLHPXCXPMUJL-GFCCVEGCSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574727628 949974756 /nfs/dbraw/zinc/97/47/56/949974756.db2.gz WLMLHPXCXPMUJL-GFCCVEGCSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574490024 949980662 /nfs/dbraw/zinc/98/06/62/949980662.db2.gz NEOXIVXWHBDWHB-IHRRRGAJSA-N 0 1 379.428 0.899 20 0 GCADMN C[C@H](CC(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(N)=O ZINC001574490310 949983536 /nfs/dbraw/zinc/98/35/36/949983536.db2.gz PPYUILSOXICFBT-MNOVXSKESA-N 0 1 392.439 0.389 20 0 GCADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1CCCN1C ZINC001574148719 949990346 /nfs/dbraw/zinc/99/03/46/949990346.db2.gz PAXFAEQPVKGZQW-WFASDCNBSA-N 0 1 388.476 0.550 20 0 GCADMN CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCN1C ZINC001574148797 949991104 /nfs/dbraw/zinc/99/11/04/949991104.db2.gz QNQNZIVNTFBUNJ-HIFRSBDPSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574490412 949992219 /nfs/dbraw/zinc/99/22/19/949992219.db2.gz REYTYMRKVGZLEZ-MGPQQGTHSA-N 0 1 381.444 0.790 20 0 GCADMN CC(C)C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CN1CCCC1 ZINC001574148856 949997756 /nfs/dbraw/zinc/99/77/56/949997756.db2.gz RIHYEFWCBGBQBB-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H](NC(=O)Cc1c[nH]cn1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575289632 949998492 /nfs/dbraw/zinc/99/84/92/949998492.db2.gz APAXYCVEKWHAPO-LLVKDONJSA-N 0 1 384.419 0.908 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182179 950036994 /nfs/dbraw/zinc/03/69/94/950036994.db2.gz NMHVGYGHBZCSBK-GWCFXTLKSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182205 950037262 /nfs/dbraw/zinc/03/72/62/950037262.db2.gz NPCLNGMOPFPRTC-GXTWGEPZSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H](CC(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574491627 950038439 /nfs/dbraw/zinc/03/84/39/950038439.db2.gz FBXFNGNMNNCJAR-NEPJUHHUSA-N 0 1 387.448 0.184 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182210 950039342 /nfs/dbraw/zinc/03/93/42/950039342.db2.gz NPCLNGMOPFPRTC-OCCSQVGLSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CCN1CCCC1=O ZINC001575891987 950043820 /nfs/dbraw/zinc/04/38/20/950043820.db2.gz QBZCUDNUVGKOQY-QWHCGFSZSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574492014 950055770 /nfs/dbraw/zinc/05/57/70/950055770.db2.gz IGUVUCUVLJRNDX-CHWSQXEVSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182842 950064606 /nfs/dbraw/zinc/06/46/06/950064606.db2.gz NCWSMAQWNFOJHP-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cncn1 ZINC001574151358 950072381 /nfs/dbraw/zinc/07/23/81/950072381.db2.gz PVVBUFPNTCLWGE-GFCCVEGCSA-N 0 1 389.489 0.840 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cncn1 ZINC001574151358 950072397 /nfs/dbraw/zinc/07/23/97/950072397.db2.gz PVVBUFPNTCLWGE-GFCCVEGCSA-N 0 1 389.489 0.840 20 0 GCADMN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)OCC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC001589685827 950072604 /nfs/dbraw/zinc/07/26/04/950072604.db2.gz IMSALIJDILJZIK-KGLIPLIRSA-N 0 1 376.475 0.673 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnn(C)c2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576183045 950076732 /nfs/dbraw/zinc/07/67/32/950076732.db2.gz QMWAHRGMBMFTRS-WBMJQRKESA-N 0 1 381.444 0.770 20 0 GCADMN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575576980 950079457 /nfs/dbraw/zinc/07/94/57/950079457.db2.gz UHUWKSOTRNWSLH-BZNIZROVSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@]1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC001575576980 950079478 /nfs/dbraw/zinc/07/94/78/950079478.db2.gz UHUWKSOTRNWSLH-BZNIZROVSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574732918 950082165 /nfs/dbraw/zinc/08/21/65/950082165.db2.gz MSONRKKCZTYRHI-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001575577591 950086798 /nfs/dbraw/zinc/08/67/98/950086798.db2.gz XLNSAOVOWNWJTQ-NSHDSACASA-N 0 1 380.474 0.312 20 0 GCADMN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCOCC1 ZINC001575577591 950086823 /nfs/dbraw/zinc/08/68/23/950086823.db2.gz XLNSAOVOWNWJTQ-NSHDSACASA-N 0 1 380.474 0.312 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183355 950088132 /nfs/dbraw/zinc/08/81/32/950088132.db2.gz PXFCKSIMUZBECV-RYUDHWBXSA-N 0 1 383.416 0.206 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001574492750 950102001 /nfs/dbraw/zinc/10/20/01/950102001.db2.gz CIAQIJYKENVGDU-WCBMZHEXSA-N 0 1 384.366 0.974 20 0 GCADMN CC(C)C[C@H](CNCc1cnns1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574152455 950102687 /nfs/dbraw/zinc/10/26/87/950102687.db2.gz CMORZCLHDQVAPD-LLVKDONJSA-N 0 1 375.462 0.981 20 0 GCADMN C[C@@H](CC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1)C1CC1 ZINC001574492984 950112694 /nfs/dbraw/zinc/11/26/94/950112694.db2.gz PZWPNCPIQAQBPG-LBPRGKRZSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733454 950116053 /nfs/dbraw/zinc/11/60/53/950116053.db2.gz BNXOFVOQEKVGJN-KWCYVHTRSA-N 0 1 379.428 0.536 20 0 GCADMN C[C@H](CNC(=O)C[C@H](C)NC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574493202 950119528 /nfs/dbraw/zinc/11/95/28/950119528.db2.gz FLHHOEDLSZMTKT-NTSWFWBYSA-N 0 1 387.857 0.340 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896184 950125894 /nfs/dbraw/zinc/12/58/94/950125894.db2.gz LHOVFGHZDJPFPK-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184458 950134168 /nfs/dbraw/zinc/13/41/68/950134168.db2.gz VTZKOSVWOVWUPW-GXTWGEPZSA-N 0 1 384.444 0.322 20 0 GCADMN CC1(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)CC(F)(F)C1 ZINC001575582901 950134172 /nfs/dbraw/zinc/13/41/72/950134172.db2.gz INOZGGBWLPYTHW-UHFFFAOYSA-N 0 1 378.387 0.821 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cccnc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184578 950134783 /nfs/dbraw/zinc/13/47/83/950134783.db2.gz WPXJDGSNBCSLRJ-GXTWGEPZSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574493557 950135893 /nfs/dbraw/zinc/13/58/93/950135893.db2.gz TZXLDEWWTBFRJS-DGCLKSJQSA-N 0 1 382.432 0.279 20 0 GCADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574493561 950137063 /nfs/dbraw/zinc/13/70/63/950137063.db2.gz TZXLDEWWTBFRJS-YPMHNXCESA-N 0 1 382.432 0.279 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574734472 950138016 /nfs/dbraw/zinc/13/80/16/950138016.db2.gz NOSPCKSJMBTPLT-ZYHUDNBSSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574734472 950138028 /nfs/dbraw/zinc/13/80/28/950138028.db2.gz NOSPCKSJMBTPLT-ZYHUDNBSSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2=NC(=O)N(C)C2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575898163 950148230 /nfs/dbraw/zinc/14/82/30/950148230.db2.gz QTSUDUCJBNFTBX-CMPLNLGQSA-N 0 1 383.416 0.488 20 0 GCADMN C[C@H](CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574494117 950150802 /nfs/dbraw/zinc/15/08/02/950150802.db2.gz WVWCEYZWQHHEEQ-ZJUUUORDSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575898409 950154112 /nfs/dbraw/zinc/15/41/12/950154112.db2.gz SCSNUGZMVJSVGP-ZWNOBZJWSA-N 0 1 383.391 0.978 20 0 GCADMN CC(C)C[C@@H](CNCc1cnns1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574153983 950156645 /nfs/dbraw/zinc/15/66/45/950156645.db2.gz YXGAUQIOUGSRQD-NSHDSACASA-N 0 1 375.462 0.981 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)CCOC1 ZINC001575584425 950169093 /nfs/dbraw/zinc/16/90/93/950169093.db2.gz QWNVXPFSAKASBE-UGSOOPFHSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)CCOC1 ZINC001575584424 950171526 /nfs/dbraw/zinc/17/15/26/950171526.db2.gz QWNVXPFSAKASBE-SCLBCKFNSA-N 0 1 386.460 0.949 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001574154676 950172802 /nfs/dbraw/zinc/17/28/02/950172802.db2.gz FYXNZERLXOXJSD-CYBMUJFWSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899757 950179352 /nfs/dbraw/zinc/17/93/52/950179352.db2.gz YVDTZKYDPGTGIP-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC1OCCCO1 ZINC001574155039 950182910 /nfs/dbraw/zinc/18/29/10/950182910.db2.gz IJKMOXXFEOMJMP-LBPRGKRZSA-N 0 1 390.448 0.175 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576191051 950184256 /nfs/dbraw/zinc/18/42/56/950184256.db2.gz DDNMNBQLPXCAIU-ZDUSSCGKSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576191051 950184272 /nfs/dbraw/zinc/18/42/72/950184272.db2.gz DDNMNBQLPXCAIU-ZDUSSCGKSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@]1(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCNC1=O ZINC001575585304 950189975 /nfs/dbraw/zinc/18/99/75/950189975.db2.gz YKVOCQVRSFKDKY-KZULUSFZSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574494975 950191651 /nfs/dbraw/zinc/19/16/51/950191651.db2.gz QRSFZTBJFITLAZ-BXKDBHETSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)NC(N)=O ZINC001574494975 950191669 /nfs/dbraw/zinc/19/16/69/950191669.db2.gz QRSFZTBJFITLAZ-BXKDBHETSA-N 0 1 392.489 0.360 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001574155490 950191872 /nfs/dbraw/zinc/19/18/72/950191872.db2.gz MDQQLMMTLBOXGU-UONOGXRCSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574494977 950191913 /nfs/dbraw/zinc/19/19/13/950191913.db2.gz QRSFZTBJFITLAZ-JOYOIKCWSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)NC(N)=O ZINC001574494977 950191926 /nfs/dbraw/zinc/19/19/26/950191926.db2.gz QRSFZTBJFITLAZ-JOYOIKCWSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574494976 950193197 /nfs/dbraw/zinc/19/31/97/950193197.db2.gz QRSFZTBJFITLAZ-CABZTGNLSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)NC(N)=O ZINC001574494976 950193207 /nfs/dbraw/zinc/19/32/07/950193207.db2.gz QRSFZTBJFITLAZ-CABZTGNLSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575900467 950199977 /nfs/dbraw/zinc/19/99/77/950199977.db2.gz FUEJBFAOUWCRJS-BXUZGUMPSA-N 0 1 382.432 0.173 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576191623 950203895 /nfs/dbraw/zinc/20/38/95/950203895.db2.gz HJQFUFINRAPNSO-DOMZBBRYSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576191623 950203910 /nfs/dbraw/zinc/20/39/10/950203910.db2.gz HJQFUFINRAPNSO-DOMZBBRYSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576191623 950203925 /nfs/dbraw/zinc/20/39/25/950203925.db2.gz HJQFUFINRAPNSO-DOMZBBRYSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576191623 950203940 /nfs/dbraw/zinc/20/39/40/950203940.db2.gz HJQFUFINRAPNSO-DOMZBBRYSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1CC[NH+](C)CC1 ZINC001574155673 950205079 /nfs/dbraw/zinc/20/50/79/950205079.db2.gz PXYZGGSNTLHDGO-CQSZACIVSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1CC[NH+](C)CC1 ZINC001574155673 950205091 /nfs/dbraw/zinc/20/50/91/950205091.db2.gz PXYZGGSNTLHDGO-CQSZACIVSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574496106 950212202 /nfs/dbraw/zinc/21/22/02/950212202.db2.gz VPUVCEPLRKQFIL-OCCSQVGLSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576191912 950213332 /nfs/dbraw/zinc/21/33/32/950213332.db2.gz IZCILOMLOMDXGO-LBPRGKRZSA-N 0 1 375.502 0.913 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576191912 950213346 /nfs/dbraw/zinc/21/33/46/950213346.db2.gz IZCILOMLOMDXGO-LBPRGKRZSA-N 0 1 375.502 0.913 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(N)=O ZINC001574496581 950217383 /nfs/dbraw/zinc/21/73/83/950217383.db2.gz XPFADYDHWXBXJB-GHMZBOCLSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192161 950227278 /nfs/dbraw/zinc/22/72/78/950227278.db2.gz KFRQQNUUNCWSJK-OLZOCXBDSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192164 950227941 /nfs/dbraw/zinc/22/79/41/950227941.db2.gz KFRQQNUUNCWSJK-QWHCGFSZSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192327 950236073 /nfs/dbraw/zinc/23/60/73/950236073.db2.gz LVNSKURRUKZZKC-GHMZBOCLSA-N 0 1 385.457 0.745 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1ccn(C)n1 ZINC001574157439 950236114 /nfs/dbraw/zinc/23/61/14/950236114.db2.gz BIJVATQQTWZYFM-CQSZACIVSA-N 0 1 383.460 0.603 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576192290 950236671 /nfs/dbraw/zinc/23/66/71/950236671.db2.gz NCKVLKIKUWBGKD-PWSUYJOCSA-N 0 1 383.416 0.446 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001574157540 950239949 /nfs/dbraw/zinc/23/99/49/950239949.db2.gz CPTVVDMMWWLQSZ-NSHDSACASA-N 0 1 383.416 0.436 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001574157741 950250761 /nfs/dbraw/zinc/25/07/61/950250761.db2.gz HRHUSRHUZIXENJ-SECBINFHSA-N 0 1 389.445 0.497 20 0 GCADMN C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192690 950260063 /nfs/dbraw/zinc/26/00/63/950260063.db2.gz PYQZKLZQMFTDOO-QWHCGFSZSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)C[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576192748 950260738 /nfs/dbraw/zinc/26/07/38/950260738.db2.gz QRJRWUGICDMPCP-GHMZBOCLSA-N 0 1 383.416 0.446 20 0 GCADMN C[C@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192691 950260893 /nfs/dbraw/zinc/26/08/93/950260893.db2.gz PYQZKLZQMFTDOO-STQMWFEESA-N 0 1 379.428 0.684 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccnn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192689 950261799 /nfs/dbraw/zinc/26/17/99/950261799.db2.gz PYQZKLZQMFTDOO-OLZOCXBDSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192809 950265000 /nfs/dbraw/zinc/26/50/00/950265000.db2.gz PFRNGTKSPYPYOG-VXGBXAGGSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574158004 950266292 /nfs/dbraw/zinc/26/62/92/950266292.db2.gz MVELYKHHPXPEAV-OLZOCXBDSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001574158003 950267357 /nfs/dbraw/zinc/26/73/57/950267357.db2.gz MVELYKHHPXPEAV-CHWSQXEVSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192803 950267715 /nfs/dbraw/zinc/26/77/15/950267715.db2.gz PFBKONLZIOHFIG-DGCLKSJQSA-N 0 1 380.416 0.079 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192808 950267760 /nfs/dbraw/zinc/26/77/60/950267760.db2.gz PFRNGTKSPYPYOG-RYUDHWBXSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574158048 950269513 /nfs/dbraw/zinc/26/95/13/950269513.db2.gz NJRKZGFQKYFMFJ-LLVKDONJSA-N 0 1 383.416 0.024 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574158217 950273680 /nfs/dbraw/zinc/27/36/80/950273680.db2.gz OYTMLPGIWNLAGQ-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574158217 950273698 /nfs/dbraw/zinc/27/36/98/950273698.db2.gz OYTMLPGIWNLAGQ-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CNCc1cnsn1 ZINC001576192962 950275735 /nfs/dbraw/zinc/27/57/35/950275735.db2.gz RUVFGCDPBFCTBH-PWSUYJOCSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@@H](CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574498692 950285667 /nfs/dbraw/zinc/28/56/67/950285667.db2.gz PSABYCKIOOMCGX-WHXUTIOJSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574498692 950285687 /nfs/dbraw/zinc/28/56/87/950285687.db2.gz PSABYCKIOOMCGX-WHXUTIOJSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574498691 950286421 /nfs/dbraw/zinc/28/64/21/950286421.db2.gz PSABYCKIOOMCGX-KPPDAEKUSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)NCC1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574498691 950286438 /nfs/dbraw/zinc/28/64/38/950286438.db2.gz PSABYCKIOOMCGX-KPPDAEKUSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574498843 950286563 /nfs/dbraw/zinc/28/65/63/950286563.db2.gz QFMMGGKAQWSDDU-NEPJUHHUSA-N 0 1 376.465 0.430 20 0 GCADMN C[C@]1(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCNC(=O)C1 ZINC001575592404 950286948 /nfs/dbraw/zinc/28/69/48/950286948.db2.gz AKCGGILFCBETNI-IBGZPJMESA-N 0 1 383.456 0.331 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574498867 950290917 /nfs/dbraw/zinc/29/09/17/950290917.db2.gz QPHWVYJBRWORHI-GXTWGEPZSA-N 0 1 382.428 0.161 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccncc1F ZINC001574159253 950294455 /nfs/dbraw/zinc/29/44/55/950294455.db2.gz UWEBUXYDEKZGQT-NSHDSACASA-N 0 1 385.407 0.869 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193657 950308031 /nfs/dbraw/zinc/30/80/31/950308031.db2.gz VZZBTRFCHAFZBF-OCCSQVGLSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193609 950308509 /nfs/dbraw/zinc/30/85/09/950308509.db2.gz UTTJXKSFNZKXQJ-ZJUUUORDSA-N 0 1 386.395 0.151 20 0 GCADMN C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574500027 950309042 /nfs/dbraw/zinc/30/90/42/950309042.db2.gz XWSLVHYFHVCMPH-XNWIYYODSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccncn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193982 950321295 /nfs/dbraw/zinc/32/12/95/950321295.db2.gz WYONUFJISRVCMR-NWDGAFQWSA-N 0 1 380.416 0.079 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)[C@H]1CCN(C2CCC2)C1=O ZINC001574988259 950324453 /nfs/dbraw/zinc/32/44/53/950324453.db2.gz PMPQTDJZZOPOAM-ABAIWWIYSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574988245 950325639 /nfs/dbraw/zinc/32/56/39/950325639.db2.gz PGYNBPKHSKHFAQ-MVWJERBFSA-N 0 1 383.416 0.298 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cncn1C ZINC001575907559 950338404 /nfs/dbraw/zinc/33/84/04/950338404.db2.gz PDGSYCFPOGVDOA-SMDDNHRTSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1nccnc1N ZINC001575907623 950340154 /nfs/dbraw/zinc/34/01/54/950340154.db2.gz PUDCZHXGYFAVSC-ONGXEEELSA-N 0 1 385.457 0.693 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1nccnc1N ZINC001575907623 950340163 /nfs/dbraw/zinc/34/01/63/950340163.db2.gz PUDCZHXGYFAVSC-ONGXEEELSA-N 0 1 385.457 0.693 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574501845 950346033 /nfs/dbraw/zinc/34/60/33/950346033.db2.gz GXQPCOFHZDOOEX-MNOVXSKESA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574501845 950346056 /nfs/dbraw/zinc/34/60/56/950346056.db2.gz GXQPCOFHZDOOEX-MNOVXSKESA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574501845 950346077 /nfs/dbraw/zinc/34/60/77/950346077.db2.gz GXQPCOFHZDOOEX-MNOVXSKESA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574501845 950346096 /nfs/dbraw/zinc/34/60/96/950346096.db2.gz GXQPCOFHZDOOEX-MNOVXSKESA-N 0 1 392.489 0.313 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573854733 950346452 /nfs/dbraw/zinc/34/64/52/950346452.db2.gz DVKDPRIVXYZGOV-LBPRGKRZSA-N 0 1 388.476 0.551 20 0 GCADMN CC(C)(C)NC(=O)CN1C[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C1 ZINC001573854740 950347089 /nfs/dbraw/zinc/34/70/89/950347089.db2.gz DYHLPFNFAZNCBG-BETUJISGSA-N 0 1 386.460 0.113 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CN1CCCC1=O ZINC001575907974 950348715 /nfs/dbraw/zinc/34/87/15/950348715.db2.gz SCSRFNDARNIYGO-WCQYABFASA-N 0 1 389.485 0.630 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CN1CCCC1=O ZINC001575907974 950348734 /nfs/dbraw/zinc/34/87/34/950348734.db2.gz SCSRFNDARNIYGO-WCQYABFASA-N 0 1 389.485 0.630 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@H+](C)C(C)C ZINC001574160911 950349096 /nfs/dbraw/zinc/34/90/96/950349096.db2.gz QXTWOGDADLIEIC-ZDUSSCGKSA-N 0 1 375.481 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@@H+](C)C(C)C ZINC001574160911 950349119 /nfs/dbraw/zinc/34/91/19/950349119.db2.gz QXTWOGDADLIEIC-ZDUSSCGKSA-N 0 1 375.481 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@H+](C)C(C)C ZINC001574160911 950349146 /nfs/dbraw/zinc/34/91/46/950349146.db2.gz QXTWOGDADLIEIC-ZDUSSCGKSA-N 0 1 375.481 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+](C)C(C)C ZINC001574160911 950349166 /nfs/dbraw/zinc/34/91/66/950349166.db2.gz QXTWOGDADLIEIC-ZDUSSCGKSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574502066 950355120 /nfs/dbraw/zinc/35/51/20/950355120.db2.gz IKNKNWVDCASIPI-MNOVXSKESA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574502066 950355140 /nfs/dbraw/zinc/35/51/40/950355140.db2.gz IKNKNWVDCASIPI-MNOVXSKESA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576196235 950355162 /nfs/dbraw/zinc/35/51/62/950355162.db2.gz BGPRNGOCLFHRHZ-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196235 950355179 /nfs/dbraw/zinc/35/51/79/950355179.db2.gz BGPRNGOCLFHRHZ-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196235 950355193 /nfs/dbraw/zinc/35/51/93/950355193.db2.gz BGPRNGOCLFHRHZ-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576196415 950360609 /nfs/dbraw/zinc/36/06/09/950360609.db2.gz CTEHYJPVJMDYCA-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576196415 950360617 /nfs/dbraw/zinc/36/06/17/950360617.db2.gz CTEHYJPVJMDYCA-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cnnn1 ZINC001575908279 950360939 /nfs/dbraw/zinc/36/09/39/950360939.db2.gz UAADZJMMJARYFN-ZYHUDNBSSA-N 0 1 388.461 0.084 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cnnn1 ZINC001575908279 950360953 /nfs/dbraw/zinc/36/09/53/950360953.db2.gz UAADZJMMJARYFN-ZYHUDNBSSA-N 0 1 388.461 0.084 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573855352 950366454 /nfs/dbraw/zinc/36/64/54/950366454.db2.gz RIBGTBJDBZMTQJ-GFCCVEGCSA-N 0 1 388.476 0.551 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573855283 950366677 /nfs/dbraw/zinc/36/66/77/950366677.db2.gz OVKIRSLVKKYVTL-LBPRGKRZSA-N 0 1 388.476 0.551 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573855282 950367792 /nfs/dbraw/zinc/36/77/92/950367792.db2.gz OVKIRSLVKKYVTL-GFCCVEGCSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196774 950370598 /nfs/dbraw/zinc/37/05/98/950370598.db2.gz HSSWOFHFCADWNN-UONOGXRCSA-N 0 1 385.476 0.212 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC1 ZINC001576196950 950378145 /nfs/dbraw/zinc/37/81/45/950378145.db2.gz JZIJEFVAWCEWIT-CQSZACIVSA-N 0 1 385.476 0.792 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC1 ZINC001576196950 950378165 /nfs/dbraw/zinc/37/81/65/950378165.db2.gz JZIJEFVAWCEWIT-CQSZACIVSA-N 0 1 385.476 0.792 20 0 GCADMN 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/nfs/dbraw/zinc/45/01/03/950450103.db2.gz JSYFDUGFGJIQSV-CYBMUJFWSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H](C)NC(=O)CN1CCC(C)CC1 ZINC001576203662 950450826 /nfs/dbraw/zinc/45/08/26/950450826.db2.gz HYRWHAYWFXILHP-QWHCGFSZSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)Nc1ccc(F)cc1 ZINC001574992655 950454210 /nfs/dbraw/zinc/45/42/10/950454210.db2.gz GQEMGUZCQHDYGB-JTQLQIEISA-N 0 1 386.391 0.681 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576204054 950454542 /nfs/dbraw/zinc/45/45/42/950454542.db2.gz KNPMHWCBZXPDDR-KPZWWZAWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576204054 950454557 /nfs/dbraw/zinc/45/45/57/950454557.db2.gz KNPMHWCBZXPDDR-KPZWWZAWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574507323 950456398 /nfs/dbraw/zinc/45/63/98/950456398.db2.gz 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GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCCN2c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576204693 950468836 /nfs/dbraw/zinc/46/88/36/950468836.db2.gz AJOVKJJICXZVKC-UONOGXRCSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576204693 950468850 /nfs/dbraw/zinc/46/88/50/950468850.db2.gz AJOVKJJICXZVKC-UONOGXRCSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576204693 950468867 /nfs/dbraw/zinc/46/88/67/950468867.db2.gz AJOVKJJICXZVKC-UONOGXRCSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccc(N(C)C)nc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574752349 950480679 /nfs/dbraw/zinc/48/06/79/950480679.db2.gz BGXRFCQDHVAGMY-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](CN(C)C(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574752415 950480794 /nfs/dbraw/zinc/48/07/94/950480794.db2.gz BZHJQPOZJDKBEO-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CN(C)C(=O)c1cccc(=O)n1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574752415 950480813 /nfs/dbraw/zinc/48/08/13/950480813.db2.gz BZHJQPOZJDKBEO-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204909 950484532 /nfs/dbraw/zinc/48/45/32/950484532.db2.gz DNICWYJBTJJEMX-VXGBXAGGSA-N 0 1 377.424 0.237 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204909 950484537 /nfs/dbraw/zinc/48/45/37/950484537.db2.gz DNICWYJBTJJEMX-VXGBXAGGSA-N 0 1 377.424 0.237 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204905 950484664 /nfs/dbraw/zinc/48/46/64/950484664.db2.gz DNICWYJBTJJEMX-NWDGAFQWSA-N 0 1 377.424 0.237 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204905 950484667 /nfs/dbraw/zinc/48/46/67/950484667.db2.gz DNICWYJBTJJEMX-NWDGAFQWSA-N 0 1 377.424 0.237 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574508932 950490768 /nfs/dbraw/zinc/49/07/68/950490768.db2.gz QPKHHWNINHVDON-MELADBBJSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576205062 950492021 /nfs/dbraw/zinc/49/20/21/950492021.db2.gz GDFHVTCJTDFUJN-GJZGRUSLSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576205062 950492036 /nfs/dbraw/zinc/49/20/36/950492036.db2.gz GDFHVTCJTDFUJN-GJZGRUSLSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576205061 950493429 /nfs/dbraw/zinc/49/34/29/950493429.db2.gz GDFHVTCJTDFUJN-CABCVRRESA-N 0 1 384.488 0.936 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576205061 950493439 /nfs/dbraw/zinc/49/34/39/950493439.db2.gz GDFHVTCJTDFUJN-CABCVRRESA-N 0 1 384.488 0.936 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001576205118 950497743 /nfs/dbraw/zinc/49/77/43/950497743.db2.gz UOTULEGJCAZNII-KCQAQPDRSA-N 0 1 383.460 0.036 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4cncc(-c5nnn[n-]5)n4)C[C@H]32)C1 ZINC001576205118 950497754 /nfs/dbraw/zinc/49/77/54/950497754.db2.gz UOTULEGJCAZNII-KCQAQPDRSA-N 0 1 383.460 0.036 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001576205118 950497764 /nfs/dbraw/zinc/49/77/64/950497764.db2.gz UOTULEGJCAZNII-KCQAQPDRSA-N 0 1 383.460 0.036 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4cncc(-c5nn[n-]n5)n4)C[C@H]32)C1 ZINC001576205118 950497776 /nfs/dbraw/zinc/49/77/76/950497776.db2.gz UOTULEGJCAZNII-KCQAQPDRSA-N 0 1 383.460 0.036 20 0 GCADMN C[C@@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574994978 950498717 /nfs/dbraw/zinc/49/87/17/950498717.db2.gz BMPPEBYXWSGUSA-ZETCQYMHSA-N 0 1 392.221 0.400 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574509235 950498980 /nfs/dbraw/zinc/49/89/80/950498980.db2.gz TZIMRYQUFYWIHV-RWMBFGLXSA-N 0 1 382.432 0.233 20 0 GCADMN CC1CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576205232 950502608 /nfs/dbraw/zinc/50/26/08/950502608.db2.gz HPABJPGSCBZFTM-AWEZNQCLSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574509291 950504360 /nfs/dbraw/zinc/50/43/60/950504360.db2.gz PSMWVAWDHWCOST-UWVGGRQHSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574509291 950504377 /nfs/dbraw/zinc/50/43/77/950504377.db2.gz PSMWVAWDHWCOST-UWVGGRQHSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574753024 950507644 /nfs/dbraw/zinc/50/76/44/950507644.db2.gz IJJSNGGMAOLTPA-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574753024 950507653 /nfs/dbraw/zinc/50/76/53/950507653.db2.gz IJJSNGGMAOLTPA-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN CC(C)(C)OCC(=O)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573866760 950516559 /nfs/dbraw/zinc/51/65/59/950516559.db2.gz LJFDFEFEQFEEHF-STQMWFEESA-N 0 1 386.460 0.899 20 0 GCADMN C[C@@H](CC(=O)NCCN(Cc1ccc(-c2nn[nH]n2)s1)C1CC1)NC(N)=O ZINC001574509602 950520959 /nfs/dbraw/zinc/52/09/59/950520959.db2.gz SRRVLBPEBCQDLO-JTQLQIEISA-N 0 1 392.489 0.456 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576205537 950522269 /nfs/dbraw/zinc/52/22/69/950522269.db2.gz ZTTVSNIVVKLANW-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001576205542 950523874 /nfs/dbraw/zinc/52/38/74/950523874.db2.gz ZXDMFVQGHYGNHN-HOTGVXAUSA-N 0 1 382.472 0.783 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2ccnc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576205500 950524255 /nfs/dbraw/zinc/52/42/55/950524255.db2.gz ZERAYMIEJTYUJL-XIKOKIGWSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576205500 950524276 /nfs/dbraw/zinc/52/42/76/950524276.db2.gz ZERAYMIEJTYUJL-XIKOKIGWSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576205500 950524291 /nfs/dbraw/zinc/52/42/91/950524291.db2.gz ZERAYMIEJTYUJL-XIKOKIGWSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@H](CC(=O)N[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574509846 950533498 /nfs/dbraw/zinc/53/34/98/950533498.db2.gz ZBTKJTCENTWOKB-ZJUUUORDSA-N 0 1 378.412 0.047 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)on1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574997355 950545440 /nfs/dbraw/zinc/54/54/40/950545440.db2.gz UDRYBQZOGQONHG-SNVBAGLBSA-N 0 1 385.432 0.842 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)CC(C)(C)C ZINC001574510900 950551128 /nfs/dbraw/zinc/55/11/28/950551128.db2.gz DIBPLYIMJQYKQC-JHJVBQTASA-N 0 1 388.476 0.785 20 0 GCADMN CC1CCN(CC(=O)NC[C@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576206019 950555243 /nfs/dbraw/zinc/55/52/43/950555243.db2.gz SQJRUMDSAZGSHL-OAHLLOKOSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccc2c(c1)CCO2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574754144 950563419 /nfs/dbraw/zinc/56/34/19/950563419.db2.gz YLEHNOYOLUXVHD-LLVKDONJSA-N 0 1 380.412 0.586 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574998887 950565919 /nfs/dbraw/zinc/56/59/19/950565919.db2.gz CADZLZHMODIFKN-ZETCQYMHSA-N 0 1 376.331 0.037 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576206247 950568089 /nfs/dbraw/zinc/56/80/89/950568089.db2.gz VTYYKCNNIOEMOT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576206247 950568106 /nfs/dbraw/zinc/56/81/06/950568106.db2.gz VTYYKCNNIOEMOT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576206247 950568120 /nfs/dbraw/zinc/56/81/20/950568120.db2.gz VTYYKCNNIOEMOT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576206247 950568134 /nfs/dbraw/zinc/56/81/34/950568134.db2.gz VTYYKCNNIOEMOT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001576206349 950571309 /nfs/dbraw/zinc/57/13/09/950571309.db2.gz WWGXUXRNWZAJFY-CQSZACIVSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576206617 950578576 /nfs/dbraw/zinc/57/85/76/950578576.db2.gz YGLUDGRFDIHRMM-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576206617 950578590 /nfs/dbraw/zinc/57/85/90/950578590.db2.gz YGLUDGRFDIHRMM-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576206617 950578608 /nfs/dbraw/zinc/57/86/08/950578608.db2.gz YGLUDGRFDIHRMM-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001576206596 950579728 /nfs/dbraw/zinc/57/97/28/950579728.db2.gz YBGPPRVNMKVDFK-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001576206596 950579742 /nfs/dbraw/zinc/57/97/42/950579742.db2.gz YBGPPRVNMKVDFK-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576206882 950582096 /nfs/dbraw/zinc/58/20/96/950582096.db2.gz ZJMBCZKHWIFJBN-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576206882 950582105 /nfs/dbraw/zinc/58/21/05/950582105.db2.gz ZJMBCZKHWIFJBN-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576206882 950582122 /nfs/dbraw/zinc/58/21/22/950582122.db2.gz ZJMBCZKHWIFJBN-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576206882 950582140 /nfs/dbraw/zinc/58/21/40/950582140.db2.gz ZJMBCZKHWIFJBN-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H](CNC(=O)CN1CCC(C)CC1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576206854 950584897 /nfs/dbraw/zinc/58/48/97/950584897.db2.gz ZIIHWRAUYBHUAE-ZDUSSCGKSA-N 0 1 388.476 0.503 20 0 GCADMN CC(C)(C)OCC(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573870151 950586325 /nfs/dbraw/zinc/58/63/25/950586325.db2.gz FHKDHFPZSIWKOQ-ZETCQYMHSA-N 0 1 389.869 0.681 20 0 GCADMN CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001576207377 950593184 /nfs/dbraw/zinc/59/31/84/950593184.db2.gz GCPTWYSVVVYKAO-OKILXGFUSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575000057 950595072 /nfs/dbraw/zinc/59/50/72/950595072.db2.gz ORNRZAAFLCAYGP-JTQLQIEISA-N 0 1 382.432 0.168 20 0 GCADMN CC(C)(C)OCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 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/nfs/dbraw/zinc/73/65/59/950736559.db2.gz NGWUTGASGYDXDG-RISCZKNCSA-N 0 1 385.407 0.565 20 0 GCADMN C[C@@H]1CCn2ncc(C(=O)N(C)CCNc3ccnc(-c4nn[nH]n4)n3)c2C1 ZINC001576216435 950738076 /nfs/dbraw/zinc/73/80/76/950738076.db2.gz JHAPWWKNAHFUKX-LLVKDONJSA-N 0 1 382.432 0.042 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575927233 950740955 /nfs/dbraw/zinc/74/09/55/950740955.db2.gz ONIGXEPSQNYVGR-ONGXEEELSA-N 0 1 382.384 0.091 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574181365 950745470 /nfs/dbraw/zinc/74/54/70/950745470.db2.gz MFYXQJDCOGNDKU-CYBMUJFWSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2cccnn21 ZINC001575927698 950750643 /nfs/dbraw/zinc/75/06/43/950750643.db2.gz SIILZZQEALUFKE-DGCLKSJQSA-N 0 1 390.411 0.441 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574181977 950751123 /nfs/dbraw/zinc/75/11/23/950751123.db2.gz RCQVSTBPPKADHT-GFCCVEGCSA-N 0 1 389.464 0.150 20 0 GCADMN C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccnc(-c4nn[nH]n4)n3)nc2C1 ZINC001576217299 950753962 /nfs/dbraw/zinc/75/39/62/950753962.db2.gz LYJNSEPKTFWEAD-LLVKDONJSA-N 0 1 382.432 0.302 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001574182470 950758406 /nfs/dbraw/zinc/75/84/06/950758406.db2.gz WHZXWSYERZMKCS-UHFFFAOYSA-N 0 1 388.476 0.709 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn2c1OCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574764814 950764799 /nfs/dbraw/zinc/76/47/99/950764799.db2.gz ZABFWIMKLSOHST-LLVKDONJSA-N 0 1 383.416 0.235 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n[nH]nc2c1 ZINC001575927924 950764764 /nfs/dbraw/zinc/76/47/64/950764764.db2.gz WHEHSAVHIHEGMQ-SKDRFNHKSA-N 0 1 391.399 0.065 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cnccn1 ZINC001575927930 950765928 /nfs/dbraw/zinc/76/59/28/950765928.db2.gz WISPWXHYSRFUQB-IUODEOHRSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576217513 950765987 /nfs/dbraw/zinc/76/59/87/950765987.db2.gz IJCCPIDDCLVKFD-OLZOCXBDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576217513 950766004 /nfs/dbraw/zinc/76/60/04/950766004.db2.gz IJCCPIDDCLVKFD-OLZOCXBDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575928099 950773987 /nfs/dbraw/zinc/77/39/87/950773987.db2.gz YPGYXEGGLKISRZ-MFKMUULPSA-N 0 1 379.428 0.999 20 0 GCADMN CC1(C)CC(CC(=O)N2CCO[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575632097 950787278 /nfs/dbraw/zinc/78/72/78/950787278.db2.gz ACGCSXXOJXUFOS-ZDUSSCGKSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576218328 950787918 /nfs/dbraw/zinc/78/79/18/950787918.db2.gz QUYMCBMRAOKFFL-GHMZBOCLSA-N 0 1 382.432 0.088 20 0 GCADMN CC(C)(C)c1nc(CNS(=O)(=O)c2cc(F)cc(-c3nn[nH]n3)c2)n[nH]1 ZINC001573884276 950791739 /nfs/dbraw/zinc/79/17/39/950791739.db2.gz CDFWIPLUERRYAL-UHFFFAOYSA-N 0 1 380.409 0.900 20 0 GCADMN CC(C)(C)c1nc(CN2CC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001573884256 950792774 /nfs/dbraw/zinc/79/27/74/950792774.db2.gz BVRUMXYRFLOKNN-UHFFFAOYSA-N 0 1 384.448 0.472 20 0 GCADMN C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574765694 950796472 /nfs/dbraw/zinc/79/64/72/950796472.db2.gz JPIFUZOXXCQVGL-SECBINFHSA-N 0 1 385.457 0.985 20 0 GCADMN CC1(C)CC(CC(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001575633759 950821690 /nfs/dbraw/zinc/82/16/90/950821690.db2.gz WMAVDHRZSJQGHY-CYBMUJFWSA-N 0 1 386.460 0.804 20 0 GCADMN CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573885514 950829123 /nfs/dbraw/zinc/82/91/23/950829123.db2.gz YGSXEAUDWZOJSV-JTQLQIEISA-N 0 1 382.432 0.686 20 0 GCADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1nc[nH]n1 ZINC001575933275 950837764 /nfs/dbraw/zinc/83/77/64/950837764.db2.gz NTQJJBKUSIQJGD-PHDIDXHHSA-N 0 1 380.825 0.810 20 0 GCADMN C[C@@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575933740 950847072 /nfs/dbraw/zinc/84/70/72/950847072.db2.gz PMBXLZBGULDMLB-PHDIDXHHSA-N 0 1 380.825 0.810 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573887691 950857980 /nfs/dbraw/zinc/85/79/80/950857980.db2.gz JALPLSUJRLUXLP-UHFFFAOYSA-N 0 1 383.416 0.905 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576225908 950874760 /nfs/dbraw/zinc/87/47/60/950874760.db2.gz ABYJIWFQSHRQGH-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576225908 950874774 /nfs/dbraw/zinc/87/47/74/950874774.db2.gz ABYJIWFQSHRQGH-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576226009 950879199 /nfs/dbraw/zinc/87/91/99/950879199.db2.gz AJTGBBJDYHFQCB-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576226009 950879219 /nfs/dbraw/zinc/87/92/19/950879219.db2.gz AJTGBBJDYHFQCB-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576225923 950880050 /nfs/dbraw/zinc/88/00/50/950880050.db2.gz ACQWPXNXGVNDSU-GXTWGEPZSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576225923 950880070 /nfs/dbraw/zinc/88/00/70/950880070.db2.gz ACQWPXNXGVNDSU-GXTWGEPZSA-N 0 1 385.476 0.505 20 0 GCADMN CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C2CCN(CC(=O)[O-])CC2)CC1 ZINC001590207816 950881472 /nfs/dbraw/zinc/88/14/72/950881472.db2.gz DECVHRYLXRMKLS-AWEZNQCLSA-N 0 1 383.489 0.705 20 0 GCADMN CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C2CCN(CC(=O)[O-])CC2)CC1 ZINC001590207911 950883395 /nfs/dbraw/zinc/88/33/95/950883395.db2.gz DECVHRYLXRMKLS-CQSZACIVSA-N 0 1 383.489 0.705 20 0 GCADMN C[C@H]1CN(C(=O)C2CC2)CC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)O1 ZINC001576227327 950909715 /nfs/dbraw/zinc/90/97/15/950909715.db2.gz FXZQEZJMSCUWQQ-LBPRGKRZSA-N 0 1 384.444 0.653 20 0 GCADMN C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575936627 950920842 /nfs/dbraw/zinc/92/08/42/950920842.db2.gz GWAKSUOULDPGQY-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575936627 950920855 /nfs/dbraw/zinc/92/08/55/950920855.db2.gz GWAKSUOULDPGQY-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227915 950923866 /nfs/dbraw/zinc/92/38/66/950923866.db2.gz FQHRWOJDJZLCHV-QWHCGFSZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227915 950923879 /nfs/dbraw/zinc/92/38/79/950923879.db2.gz FQHRWOJDJZLCHV-QWHCGFSZSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)(C)n1ccc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001573894195 950927194 /nfs/dbraw/zinc/92/71/94/950927194.db2.gz QVAQRXWDQPDQMA-UHFFFAOYSA-N 0 1 382.432 0.571 20 0 GCADMN CC(C)CCCC(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574192290 950932192 /nfs/dbraw/zinc/93/21/92/950932192.db2.gz LOQCSACVANZXMK-UHFFFAOYSA-N 0 1 387.492 0.721 20 0 GCADMN CC(C)(C)n1cc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cn1 ZINC001573894695 950932793 /nfs/dbraw/zinc/93/27/93/950932793.db2.gz YOOZQMRJIZIRFF-GFCCVEGCSA-N 0 1 387.448 0.027 20 0 GCADMN CC(C)(CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573895515 950936617 /nfs/dbraw/zinc/93/66/17/950936617.db2.gz BWMVSIUAHVQMJZ-VIFPVBQESA-N 0 1 387.366 0.551 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1nccnc1N ZINC001574529553 950951584 /nfs/dbraw/zinc/95/15/84/950951584.db2.gz RBZAQGBQEKYIQZ-UWVGGRQHSA-N 0 1 387.473 0.987 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1nccnc1N ZINC001574529553 950951604 /nfs/dbraw/zinc/95/16/04/950951604.db2.gz RBZAQGBQEKYIQZ-UWVGGRQHSA-N 0 1 387.473 0.987 20 0 GCADMN CC1(C)C[C@H](NC(=O)[C@H]2CCCO2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643102 950960756 /nfs/dbraw/zinc/96/07/56/950960756.db2.gz XXWIYLYICQUVCD-CHWSQXEVSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@@H]1C[C@H](C(=O)N(C)C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001575938006 950967997 /nfs/dbraw/zinc/96/79/97/950967997.db2.gz IIFDIMCPVYMSKI-CHWSQXEVSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1ncnn1CCF ZINC001574530050 950969477 /nfs/dbraw/zinc/96/94/77/950969477.db2.gz SQGZWRQTHAYZPV-MNOVXSKESA-N 0 1 390.427 0.443 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575017425 950995410 /nfs/dbraw/zinc/99/54/10/950995410.db2.gz FVVYXTKXWHRRBZ-JTQLQIEISA-N 0 1 385.453 0.935 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575017425 950995429 /nfs/dbraw/zinc/99/54/29/950995429.db2.gz FVVYXTKXWHRRBZ-JTQLQIEISA-N 0 1 385.453 0.935 20 0 GCADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CCn1cncn1 ZINC001574774593 951006834 /nfs/dbraw/zinc/00/68/34/951006834.db2.gz DKVAJYYLHWUHDX-LBPRGKRZSA-N 0 1 387.423 0.624 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575018124 951015702 /nfs/dbraw/zinc/01/57/02/951015702.db2.gz KWSZTXMTXONMKV-VIFPVBQESA-N 0 1 386.391 0.341 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575018693 951026287 /nfs/dbraw/zinc/02/62/87/951026287.db2.gz OTTKHGINQGZWIE-VIFPVBQESA-N 0 1 386.391 0.341 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575019221 951032772 /nfs/dbraw/zinc/03/27/72/951032772.db2.gz SBGCMNXNFNOOBV-LLVKDONJSA-N 0 1 380.412 0.615 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)nc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575023850 951086806 /nfs/dbraw/zinc/08/68/06/951086806.db2.gz QXUKVJWSDYCCEZ-JTQLQIEISA-N 0 1 381.400 0.010 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024351 951102840 /nfs/dbraw/zinc/10/28/40/951102840.db2.gz BOVRRZRTDJFMIU-GHMZBOCLSA-N 0 1 380.412 0.632 20 0 GCADMN CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001575024483 951105295 /nfs/dbraw/zinc/10/52/95/951105295.db2.gz FOFOKYJWGWWFER-LLVKDONJSA-N 0 1 383.416 0.491 20 0 GCADMN CC(C)Oc1ccc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001575024881 951117908 /nfs/dbraw/zinc/11/79/08/951117908.db2.gz OTRWBQIXHOQEOX-LLVKDONJSA-N 0 1 383.416 0.491 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575025295 951128233 /nfs/dbraw/zinc/12/82/33/951128233.db2.gz XCKWUCLZNOJZRU-JTQLQIEISA-N 0 1 385.407 0.514 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2nonc2c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575026378 951142856 /nfs/dbraw/zinc/14/28/56/951142856.db2.gz IFKUFQNJCBGQCM-SECBINFHSA-N 0 1 380.372 0.093 20 0 GCADMN O=C([O-])CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CO1 ZINC001595002083 951143061 /nfs/dbraw/zinc/14/30/61/951143061.db2.gz ROJFOGVZQZDZKY-GVDBMIGSSA-N 0 1 383.489 0.169 20 0 GCADMN C[C@H](CNC(=O)c1ccc2nonc2c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575026379 951142996 /nfs/dbraw/zinc/14/29/96/951142996.db2.gz IFKUFQNJCBGQCM-VIFPVBQESA-N 0 1 380.372 0.093 20 0 GCADMN C[C@H](CNC(=O)c1cccc2[nH]c(=O)[nH]c21)Nc1ccncc1-c1nn[nH]n1 ZINC001575027011 951152728 /nfs/dbraw/zinc/15/27/28/951152728.db2.gz BYVPLNGDSNILDF-SECBINFHSA-N 0 1 379.384 0.496 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2nccnc2c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575029095 951185653 /nfs/dbraw/zinc/18/56/53/951185653.db2.gz ZHGFDBDSQFHVMP-LLVKDONJSA-N 0 1 390.411 0.500 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575029672 951188741 /nfs/dbraw/zinc/18/87/41/951188741.db2.gz WQVRHZZDNAXPBG-GFCCVEGCSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@@H](CNC(=O)c1cccnc1C(N)=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575031562 951195829 /nfs/dbraw/zinc/19/58/29/951195829.db2.gz DBVXXZHPMGNRKB-JTQLQIEISA-N 0 1 381.400 0.010 20 0 GCADMN C[C@@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001575034293 951244838 /nfs/dbraw/zinc/24/48/38/951244838.db2.gz KYKXJPLNUIBXMU-LBPRGKRZSA-N 0 1 381.444 0.911 20 0 GCADMN C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575035956 951286289 /nfs/dbraw/zinc/28/62/89/951286289.db2.gz MZBLWHMZZYUJBD-LLVKDONJSA-N 0 1 379.428 0.829 20 0 GCADMN CC(C)Oc1cc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)ccn1 ZINC001575035980 951286421 /nfs/dbraw/zinc/28/64/21/951286421.db2.gz NWJUEJXXRIJDBL-LLVKDONJSA-N 0 1 383.416 0.491 20 0 GCADMN CC(C)Oc1cc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)ccn1 ZINC001575035981 951286626 /nfs/dbraw/zinc/28/66/26/951286626.db2.gz NWJUEJXXRIJDBL-NSHDSACASA-N 0 1 383.416 0.491 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575036656 951297379 /nfs/dbraw/zinc/29/73/79/951297379.db2.gz VBWNZNXPARTHGF-LLVKDONJSA-N 0 1 382.432 0.621 20 0 GCADMN C[C@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575038398 951317458 /nfs/dbraw/zinc/31/74/58/951317458.db2.gz ITXZITWNWQRZHZ-SNVBAGLBSA-N 0 1 384.400 0.137 20 0 GCADMN C[C@@H](CNC(=O)c1ccoc1CC(N)=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575038395 951318003 /nfs/dbraw/zinc/31/80/03/951318003.db2.gz ITXZITWNWQRZHZ-JTQLQIEISA-N 0 1 384.400 0.137 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)ccc1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575042299 951359566 /nfs/dbraw/zinc/35/95/66/951359566.db2.gz IBOCPBCIARQYSB-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575042798 951373460 /nfs/dbraw/zinc/37/34/60/951373460.db2.gz CBWSNQQCRYPSCV-SNVBAGLBSA-N 0 1 387.473 0.692 20 0 GCADMN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575042798 951373470 /nfs/dbraw/zinc/37/34/70/951373470.db2.gz CBWSNQQCRYPSCV-SNVBAGLBSA-N 0 1 387.473 0.692 20 0 GCADMN C[C@H](CNC(=O)c1cnc2cnccc2c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575043004 951376534 /nfs/dbraw/zinc/37/65/34/951376534.db2.gz FJARJIZPTGEKMQ-NSHDSACASA-N 0 1 390.411 0.500 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043563 951395566 /nfs/dbraw/zinc/39/55/66/951395566.db2.gz USEMMKPVFLCCKS-QMMMGPOBSA-N 0 1 376.812 0.298 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575043532 951396950 /nfs/dbraw/zinc/39/69/50/951396950.db2.gz SZSOTZAHNILWDA-CYBMUJFWSA-N 0 1 381.440 0.816 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043965 951405955 /nfs/dbraw/zinc/40/59/55/951405955.db2.gz NIONQOTXQTWGBI-SNVBAGLBSA-N 0 1 388.457 0.563 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575043965 951405960 /nfs/dbraw/zinc/40/59/60/951405960.db2.gz NIONQOTXQTWGBI-SNVBAGLBSA-N 0 1 388.457 0.563 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)CNc1ccncc1-c1nn[nH]n1 ZINC001575044321 951412963 /nfs/dbraw/zinc/41/29/63/951412963.db2.gz YTZNMMVINDJUSW-LLVKDONJSA-N 0 1 382.432 0.478 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575044801 951417590 /nfs/dbraw/zinc/41/75/90/951417590.db2.gz VIALHCYJXFFHGY-LBPRGKRZSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575046264 951437505 /nfs/dbraw/zinc/43/75/05/951437505.db2.gz MEZOLTDHONLUQH-SNVBAGLBSA-N 0 1 380.416 0.224 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575046318 951440135 /nfs/dbraw/zinc/44/01/35/951440135.db2.gz MTYNGAJRYSKESB-NSHDSACASA-N 0 1 382.432 0.444 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575046316 951440876 /nfs/dbraw/zinc/44/08/76/951440876.db2.gz MTYNGAJRYSKESB-LLVKDONJSA-N 0 1 382.432 0.444 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575047165 951452602 /nfs/dbraw/zinc/45/26/02/951452602.db2.gz YERBTZAUMIMRCG-GFCCVEGCSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575047192 951454913 /nfs/dbraw/zinc/45/49/13/951454913.db2.gz ZBZIENUPAWNGJJ-SNVBAGLBSA-N 0 1 388.457 0.563 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575047192 951454918 /nfs/dbraw/zinc/45/49/18/951454918.db2.gz ZBZIENUPAWNGJJ-SNVBAGLBSA-N 0 1 388.457 0.563 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575052174 951458875 /nfs/dbraw/zinc/45/88/75/951458875.db2.gz FHMFDPFNKIDUIJ-VIFPVBQESA-N 0 1 391.386 0.833 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575052391 951463812 /nfs/dbraw/zinc/46/38/12/951463812.db2.gz IDMHUWQKSOHXFL-SSDOTTSWSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575052392 951464699 /nfs/dbraw/zinc/46/46/99/951464699.db2.gz IDMHUWQKSOHXFL-ZETCQYMHSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575052882 951473472 /nfs/dbraw/zinc/47/34/72/951473472.db2.gz PUNBROVYODMRDB-SNVBAGLBSA-N 0 1 382.432 0.168 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575052879 951474197 /nfs/dbraw/zinc/47/41/97/951474197.db2.gz PUNBROVYODMRDB-JTQLQIEISA-N 0 1 382.432 0.168 20 0 GCADMN C[C@H](CNC(=O)c1cnn(CC2CC2)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575053153 951474308 /nfs/dbraw/zinc/47/43/08/951474308.db2.gz RERNLQHPOUNPQV-LBPRGKRZSA-N 0 1 381.444 0.768 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)n1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575053109 951474394 /nfs/dbraw/zinc/47/43/94/951474394.db2.gz QPMJZGYCWLKHET-ZCFIWIBFSA-N 0 1 382.841 0.583 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575054612 951493104 /nfs/dbraw/zinc/49/31/04/951493104.db2.gz YZWIFJPSRMSORP-QMMMGPOBSA-N 0 1 378.347 0.503 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575055591 951510166 /nfs/dbraw/zinc/51/01/66/951510166.db2.gz XXZUVJLPXSUDED-NSHDSACASA-N 0 1 382.432 0.444 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575060846 951549290 /nfs/dbraw/zinc/54/92/90/951549290.db2.gz ICFFAWVERLVWAJ-JTQLQIEISA-N 0 1 382.432 0.301 20 0 GCADMN C[C@H](CNC(=O)c1[nH]cnc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575061258 951554726 /nfs/dbraw/zinc/55/47/26/951554726.db2.gz MCWGRGXDLSUNRB-ZCFIWIBFSA-N 0 1 382.310 0.051 20 0 GCADMN C[C@@H](CNC(=O)c1ocnc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575064582 951574405 /nfs/dbraw/zinc/57/44/05/951574405.db2.gz AAJWJSICRGUCLY-LURJTMIESA-N 0 1 383.294 0.316 20 0 GCADMN C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575065266 951581122 /nfs/dbraw/zinc/58/11/22/951581122.db2.gz AZSAIGKDLVFQNC-SNVBAGLBSA-N 0 1 385.436 0.258 20 0 GCADMN C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575065384 951583945 /nfs/dbraw/zinc/58/39/45/951583945.db2.gz CDCVPBFAXJWEBU-LLVKDONJSA-N 0 1 384.448 0.508 20 0 GCADMN C[C@H](CNC(=O)c1noc2c1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575066986 951601402 /nfs/dbraw/zinc/60/14/02/951601402.db2.gz OMIWOPVWXFCTGM-JTQLQIEISA-N 0 1 383.416 0.423 20 0 GCADMN C[C@@H](CNC(=O)c1scnc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575068570 951636108 /nfs/dbraw/zinc/63/61/08/951636108.db2.gz BCJHEZXLKAZOMJ-SSDOTTSWSA-N 0 1 379.837 0.667 20 0 GCADMN O=C([O-])CN1CCC[C@H](C(=O)N2CC[NH+](CCc3cccs3)CC2)C1=O ZINC001595087006 951740628 /nfs/dbraw/zinc/74/06/28/951740628.db2.gz PWIDGBVQMNBRNS-OAHLLOKOSA-N 0 1 379.482 0.758 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575090652 951761470 /nfs/dbraw/zinc/76/14/70/951761470.db2.gz MZQCVEVYSHKFCG-FZMZJTMJSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1COCCO1 ZINC001575090570 951761630 /nfs/dbraw/zinc/76/16/30/951761630.db2.gz MHYHTRFZUOEOEE-IAQYHMDHSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575091331 951774166 /nfs/dbraw/zinc/77/41/66/951774166.db2.gz RLHWQKBMDKELHK-IAQYHMDHSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575098373 951820773 /nfs/dbraw/zinc/82/07/73/951820773.db2.gz BWONBJPCOTUZAL-RYUDHWBXSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575098373 951820782 /nfs/dbraw/zinc/82/07/82/951820782.db2.gz BWONBJPCOTUZAL-RYUDHWBXSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098467 951824059 /nfs/dbraw/zinc/82/40/59/951824059.db2.gz DMOHEQYRULAVKP-DGCLKSJQSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098467 951824070 /nfs/dbraw/zinc/82/40/70/951824070.db2.gz DMOHEQYRULAVKP-DGCLKSJQSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098754 951825973 /nfs/dbraw/zinc/82/59/73/951825973.db2.gz GFEVNPCQWOPMMG-NSHDSACASA-N 0 1 387.469 0.783 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098754 951825982 /nfs/dbraw/zinc/82/59/82/951825982.db2.gz GFEVNPCQWOPMMG-NSHDSACASA-N 0 1 387.469 0.783 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575099413 951834452 /nfs/dbraw/zinc/83/44/52/951834452.db2.gz LLRBURGJDVGDEK-VXGBXAGGSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575099413 951834461 /nfs/dbraw/zinc/83/44/61/951834461.db2.gz LLRBURGJDVGDEK-VXGBXAGGSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCN1CCCC1=O ZINC001575099399 951835653 /nfs/dbraw/zinc/83/56/53/951835653.db2.gz LHWHNWYRNNFWHP-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCN1CCCC1=O ZINC001575099399 951835664 /nfs/dbraw/zinc/83/56/64/951835664.db2.gz LHWHNWYRNNFWHP-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCn1ccnn1 ZINC001575099883 951838901 /nfs/dbraw/zinc/83/89/01/951838901.db2.gz PVSCMUDBJCJFTF-LLVKDONJSA-N 0 1 375.462 0.547 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCn1ccnn1 ZINC001575099883 951838917 /nfs/dbraw/zinc/83/89/17/951838917.db2.gz PVSCMUDBJCJFTF-LLVKDONJSA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575099773 951839440 /nfs/dbraw/zinc/83/94/40/951839440.db2.gz OKDKPKTYNGVXCX-WDEREUQCSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575099773 951839447 /nfs/dbraw/zinc/83/94/47/951839447.db2.gz OKDKPKTYNGVXCX-WDEREUQCSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100241 951844925 /nfs/dbraw/zinc/84/49/25/951844925.db2.gz SGJGOIGKLISYSA-APPDUMDISA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100241 951844933 /nfs/dbraw/zinc/84/49/33/951844933.db2.gz SGJGOIGKLISYSA-APPDUMDISA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100231 951845048 /nfs/dbraw/zinc/84/50/48/951845048.db2.gz SECNWCLQFSGKKX-QWRGUYRKSA-N 0 1 375.462 0.623 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100231 951845059 /nfs/dbraw/zinc/84/50/59/951845059.db2.gz SECNWCLQFSGKKX-QWRGUYRKSA-N 0 1 375.462 0.623 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575101026 951851514 /nfs/dbraw/zinc/85/15/14/951851514.db2.gz XRGBPCYWXBMNGT-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575101026 951851517 /nfs/dbraw/zinc/85/15/17/951851517.db2.gz XRGBPCYWXBMNGT-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575104154 951881002 /nfs/dbraw/zinc/88/10/02/951881002.db2.gz XTXUVPPVPVZJKH-SNVBAGLBSA-N 0 1 388.457 0.272 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc(=O)n(C)cn1 ZINC001575104154 951881010 /nfs/dbraw/zinc/88/10/10/951881010.db2.gz XTXUVPPVPVZJKH-SNVBAGLBSA-N 0 1 388.457 0.272 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575104128 951881083 /nfs/dbraw/zinc/88/10/83/951881083.db2.gz XQGAGOBRJFIAHO-SECBINFHSA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1coc(C(N)=O)c1 ZINC001575104128 951881093 /nfs/dbraw/zinc/88/10/93/951881093.db2.gz XQGAGOBRJFIAHO-SECBINFHSA-N 0 1 389.441 0.870 20 0 GCADMN CC(C)(C)OC(=O)N1CCN([C@H]2CC[N@H+]([C@H]3CCN(CC(=O)[O-])C3=O)C2)CC1 ZINC001602888852 971789115 /nfs/dbraw/zinc/78/91/15/971789115.db2.gz MQIDSNJFAINPTF-GJZGRUSLSA-N 0 1 396.488 0.299 20 0 GCADMN C[C@@H](CNCc1nnnn1C(C)(C)C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116991 951975991 /nfs/dbraw/zinc/97/59/91/951975991.db2.gz JXRRGWITJQJNDT-JTQLQIEISA-N 0 1 387.452 0.092 20 0 GCADMN C[C@@H]1[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000382027360 971796143 /nfs/dbraw/zinc/79/61/43/971796143.db2.gz QVDPONSHNXNHRW-CZUORRHYSA-N 0 1 378.454 0.909 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575133289 952101766 /nfs/dbraw/zinc/10/17/66/952101766.db2.gz DIPCORZVTULUEG-FZKQIMNGSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575135568 952119287 /nfs/dbraw/zinc/11/92/87/952119287.db2.gz LKHSQBFXIRHJLW-SGTLLEGYSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC001575139709 952141145 /nfs/dbraw/zinc/14/11/45/952141145.db2.gz BCUBMTUXMRZBGO-IPALMDDQSA-N 0 1 390.451 0.923 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575140538 952142434 /nfs/dbraw/zinc/14/24/34/952142434.db2.gz DOHHOUUARRILLP-MRXNPFEDSA-N 0 1 385.457 0.475 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575139860 952142463 /nfs/dbraw/zinc/14/24/63/952142463.db2.gz CQAKWWHEIJCPEZ-STQMWFEESA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575140734 952144174 /nfs/dbraw/zinc/14/41/74/952144174.db2.gz FULBYHCEVRDNHY-LBPRGKRZSA-N 0 1 379.428 0.464 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575141315 952144213 /nfs/dbraw/zinc/14/42/13/952144213.db2.gz GIWZZVRUTZJLNF-FZMZJTMJSA-N 0 1 380.412 0.341 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575143410 952153617 /nfs/dbraw/zinc/15/36/17/952153617.db2.gz PJKLUUBIZAPDJF-GFCCVEGCSA-N 0 1 379.428 0.464 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575144011 952161120 /nfs/dbraw/zinc/16/11/20/952161120.db2.gz FNIIFLFQOJDVQU-CYBMUJFWSA-N 0 1 388.476 0.053 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575144256 952164694 /nfs/dbraw/zinc/16/46/94/952164694.db2.gz HLTMVTVUNFYFHD-MRVPVSSYSA-N 0 1 392.374 0.322 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575144417 952165939 /nfs/dbraw/zinc/16/59/39/952165939.db2.gz VJLHAVLOVGQRPW-LBPRGKRZSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575144417 952165940 /nfs/dbraw/zinc/16/59/40/952165940.db2.gz VJLHAVLOVGQRPW-LBPRGKRZSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575144417 952165942 /nfs/dbraw/zinc/16/59/42/952165942.db2.gz VJLHAVLOVGQRPW-LBPRGKRZSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)COc1ccccc1F ZINC001575144638 952169651 /nfs/dbraw/zinc/16/96/51/952169651.db2.gz WTZKVTNGADDUNU-LLVKDONJSA-N 0 1 386.391 0.556 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575144899 952174454 /nfs/dbraw/zinc/17/44/54/952174454.db2.gz NOPIKVHCFQRQID-NEPJUHHUSA-N 0 1 381.444 0.786 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575145177 952180583 /nfs/dbraw/zinc/18/05/83/952180583.db2.gz RVEZIEVQUJKXGJ-LLVKDONJSA-N 0 1 382.432 0.184 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1nccnc1N)C1CC1 ZINC001575145349 952183193 /nfs/dbraw/zinc/18/31/93/952183193.db2.gz VZGOLZURODFYFZ-KRWDZBQOSA-N 0 1 380.416 0.066 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575145542 952185768 /nfs/dbraw/zinc/18/57/68/952185768.db2.gz ZQDHCUDUXUVOOC-NSHDSACASA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)COC[C@H]1CCCO1 ZINC001575145828 952188977 /nfs/dbraw/zinc/18/89/77/952188977.db2.gz DEFGUEGWYZKGBE-QWHCGFSZSA-N 0 1 375.433 0.138 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cn(C(C)(C)C)nn1 ZINC001575146822 952196601 /nfs/dbraw/zinc/19/66/01/952196601.db2.gz OJYMFKYLYDAXDX-LLVKDONJSA-N 0 1 384.448 0.603 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575146849 952197602 /nfs/dbraw/zinc/19/76/02/952197602.db2.gz OVTZKYVFQNPEQK-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCc1ccc(=O)[nH]c1 ZINC001575147101 952198133 /nfs/dbraw/zinc/19/81/33/952198133.db2.gz PYVSJHAHBBZPAB-LBPRGKRZSA-N 0 1 382.428 0.676 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575146868 952198143 /nfs/dbraw/zinc/19/81/43/952198143.db2.gz PKBCZBAHKMFVBG-CYBMUJFWSA-N 0 1 386.460 0.345 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001575147407 952199841 /nfs/dbraw/zinc/19/98/41/952199841.db2.gz SLYOMGCNLVLNHU-YNEHKIRRSA-N 0 1 381.444 0.480 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575147391 952200120 /nfs/dbraw/zinc/20/01/20/952200120.db2.gz SFARMGMSUJERJK-NSHDSACASA-N 0 1 381.444 0.867 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575164832 952299985 /nfs/dbraw/zinc/29/99/85/952299985.db2.gz ICFIRMLJSCMAOK-QYNIQEEDSA-N 0 1 384.853 0.357 20 0 GCADMN C[C@@](CNc1ncccc1-c1nn[nH]n1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575166133 952320804 /nfs/dbraw/zinc/32/08/04/952320804.db2.gz YQPJGAMIXFGLND-KRWDZBQOSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575166785 952330199 /nfs/dbraw/zinc/33/01/99/952330199.db2.gz ZDEPPULRXACGDP-NKWVEPMBSA-N 0 1 384.853 0.514 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184920 952425344 /nfs/dbraw/zinc/42/53/44/952425344.db2.gz HGJHLJNIEYZTNS-ZJUUUORDSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H](C)CS(C)(=O)=O ZINC001575184920 952425349 /nfs/dbraw/zinc/42/53/49/952425349.db2.gz HGJHLJNIEYZTNS-ZJUUUORDSA-N 0 1 386.503 0.203 20 0 GCADMN O=S(=O)(NCc1nccc(C(F)(F)F)n1)c1ccc(-c2nn[nH]n2)o1 ZINC001571114971 952461663 /nfs/dbraw/zinc/46/16/63/952461663.db2.gz OJRLBEBYRPTASE-UHFFFAOYSA-N 0 1 375.292 0.747 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575195423 952472297 /nfs/dbraw/zinc/47/22/97/952472297.db2.gz AYRCGXZDUBJTBE-NEPJUHHUSA-N 0 1 390.469 0.967 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575195423 952472298 /nfs/dbraw/zinc/47/22/98/952472298.db2.gz AYRCGXZDUBJTBE-NEPJUHHUSA-N 0 1 390.469 0.967 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)[C@H]1CCC(=O)NC1 ZINC001571116601 952475596 /nfs/dbraw/zinc/47/55/96/952475596.db2.gz ADYIVXOTYLSMMZ-WDEREUQCSA-N 0 1 375.458 0.145 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001575197315 952481671 /nfs/dbraw/zinc/48/16/71/952481671.db2.gz SVPUVCPZLWTITK-BXUZGUMPSA-N 0 1 382.428 0.857 20 0 GCADMN COc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)co1 ZINC001571117371 952481895 /nfs/dbraw/zinc/48/18/95/952481895.db2.gz KLDDMLWMISDFQM-SECBINFHSA-N 0 1 375.414 0.929 20 0 GCADMN COc1nc(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)co1 ZINC001571117371 952481896 /nfs/dbraw/zinc/48/18/96/952481896.db2.gz KLDDMLWMISDFQM-SECBINFHSA-N 0 1 375.414 0.929 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001575199127 952487299 /nfs/dbraw/zinc/48/72/99/952487299.db2.gz AAJYEKOZBRBJOB-GYSYKLTISA-N 0 1 397.443 0.516 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575199251 952488120 /nfs/dbraw/zinc/48/81/20/952488120.db2.gz AXKRJCZJRSOMND-STQMWFEESA-N 0 1 381.444 0.806 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCCN(c1cnc(-c2nn[nH]n2)cn1)C1CC1 ZINC001575199235 952488473 /nfs/dbraw/zinc/48/84/73/952488473.db2.gz ARIUAEKIDLRSEH-NSHDSACASA-N 0 1 382.432 0.344 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1[C@H]2CN(c3ncccc3-c3nn[nH]n3)C[C@H]21 ZINC001575199257 952488919 /nfs/dbraw/zinc/48/89/19/952488919.db2.gz AZOJJOIUDOYDRB-BSLXNSKLSA-N 0 1 379.428 0.414 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001575199699 952489319 /nfs/dbraw/zinc/48/93/19/952489319.db2.gz DWIIMRNASOAVGQ-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575199538 952489840 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CAFZYERGYKRDKK-RYUDHWBXSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](CO)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001575200364 952495048 /nfs/dbraw/zinc/49/50/48/952495048.db2.gz IVRHWCCGWYOPCG-PWSUYJOCSA-N 0 1 388.407 0.497 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001575200690 952497613 /nfs/dbraw/zinc/49/76/13/952497613.db2.gz KPAVEKQYUAOGGH-JTQLQIEISA-N 0 1 383.416 0.175 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCN(c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001575200701 952498452 /nfs/dbraw/zinc/49/84/52/952498452.db2.gz KTGUQHLSEYTFLI-NEPJUHHUSA-N 0 1 382.432 0.344 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)[C@@H]1C ZINC001575201109 952500310 /nfs/dbraw/zinc/50/03/10/952500310.db2.gz NKSNOBBTAYOBDU-LOWVWBTDSA-N 0 1 382.432 0.342 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575201091 952500973 /nfs/dbraw/zinc/50/09/73/952500973.db2.gz NILZYOMCOXAZEW-PWSUYJOCSA-N 0 1 383.416 0.127 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BNDCZJKESJMCCG-ZYHUDNBSSA-N 0 1 381.400 0.190 20 0 GCADMN COc1cncc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571175564 952822159 /nfs/dbraw/zinc/82/21/59/952822159.db2.gz VCHWEBICBPNJAY-LLVKDONJSA-N 0 1 381.400 0.317 20 0 GCADMN COc1cncc(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571175565 952822268 /nfs/dbraw/zinc/82/22/68/952822268.db2.gz VCHWEBICBPNJAY-NSHDSACASA-N 0 1 381.400 0.317 20 0 GCADMN C[C@@H]1CN(C(=O)c2ncoc2C2CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571175588 952822453 /nfs/dbraw/zinc/82/24/53/952822453.db2.gz VWSSMPTXPPPAGB-MWLCHTKSSA-N 0 1 381.400 0.517 20 0 GCADMN O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1coc(C2CC2)n1 ZINC001571175890 952826483 /nfs/dbraw/zinc/82/64/83/952826483.db2.gz HCSSFAWUEHZGBX-HOMQSWHASA-N 0 1 381.400 0.565 20 0 GCADMN Cc1nc(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[nH]n4)n2)C3)co1 ZINC001571176302 952830295 /nfs/dbraw/zinc/83/02/95/952830295.db2.gz ONYGKBVRWFMEOU-UHFFFAOYSA-N 0 1 381.400 0.528 20 0 GCADMN O=C(N[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571176501 952832044 /nfs/dbraw/zinc/83/20/44/952832044.db2.gz SAUMNYXBFPGGTN-QJPTWQEYSA-N 0 1 381.400 0.052 20 0 GCADMN O=C(N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn[nH]1)C2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571176539 952832846 /nfs/dbraw/zinc/83/28/46/952832846.db2.gz UAUBBMVPEOKAMJ-DLOVCJGASA-N 0 1 381.400 0.341 20 0 GCADMN O=C(c1ocnc1C1CC1)N1CC[C@H](CN=c2cc[nH]c(-c3nn[nH]n3)n2)C1 ZINC001571178362 952838850 /nfs/dbraw/zinc/83/88/50/952838850.db2.gz GPSXPBSLVUYPER-SNVBAGLBSA-N 0 1 381.400 0.518 20 0 GCADMN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001571178540 952843690 /nfs/dbraw/zinc/84/36/90/952843690.db2.gz MMKRCHFUMPKUEH-DCAQKATOSA-N 0 1 381.414 0.955 20 0 GCADMN C[C@@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001571179386 952852010 /nfs/dbraw/zinc/85/20/10/952852010.db2.gz CKTLWIMCLDLBOA-HSBZDZAISA-N 0 1 381.444 0.981 20 0 GCADMN CC1(C)CN(C(=O)CCn2cccc2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571183451 952878962 /nfs/dbraw/zinc/87/89/62/952878962.db2.gz AJPPKTONAIMPJE-CYBMUJFWSA-N 0 1 381.444 0.619 20 0 GCADMN CCc1c(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)ccn1C ZINC001571183748 952881893 /nfs/dbraw/zinc/88/18/93/952881893.db2.gz IOFOYKMGUOMSKD-VXGBXAGGSA-N 0 1 381.444 0.695 20 0 GCADMN CCc1cc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nn1C ZINC001571184215 952889679 /nfs/dbraw/zinc/88/96/79/952889679.db2.gz UCSKDSBFLLCEGI-VXGBXAGGSA-N 0 1 381.444 0.695 20 0 GCADMN CCn1ccnc1C(=O)N[C@@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571184799 952896497 /nfs/dbraw/zinc/89/64/97/952896497.db2.gz DDNRSDLMVTUXQL-QWHCGFSZSA-N 0 1 381.444 0.911 20 0 GCADMN CCn1nccc1C(=O)N1CCC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571184836 952897130 /nfs/dbraw/zinc/89/71/30/952897130.db2.gz FABHRAXOBNXNQN-ZDUSSCGKSA-N 0 1 381.444 0.864 20 0 GCADMN CCn1ccnc1C(=O)N[C@@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571184797 952897607 /nfs/dbraw/zinc/89/76/07/952897607.db2.gz DDNRSDLMVTUXQL-CHWSQXEVSA-N 0 1 381.444 0.911 20 0 GCADMN CCn1ccnc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571185314 952901199 /nfs/dbraw/zinc/90/11/99/952901199.db2.gz KOBXAVOWARHHDF-OCCSQVGLSA-N 0 1 381.444 0.863 20 0 GCADMN Cc1c(C(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)nnn1C ZINC001571185687 952903623 /nfs/dbraw/zinc/90/36/23/952903623.db2.gz OIVATOHWWLYUQQ-HNNXBMFYSA-N 0 1 381.444 0.698 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1NCc1cc2n(n1)CCC2 ZINC001571186272 952905649 /nfs/dbraw/zinc/90/56/49/952905649.db2.gz UYQRCIXQJDLIPU-BDJLRTHQSA-N 0 1 381.444 0.588 20 0 GCADMN Cc1cnc(CNC[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nc1 ZINC001571187654 952909339 /nfs/dbraw/zinc/90/93/39/952909339.db2.gz AHYDWLLURMSQCT-ZDUSSCGKSA-N 0 1 381.444 0.935 20 0 GCADMN Cc1cc(N[C@@H](C)[C@@H]2CCN(C(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187788 952909791 /nfs/dbraw/zinc/90/97/91/952909791.db2.gz BZSNTJLOZXXLGM-UONOGXRCSA-N 0 1 381.444 0.538 20 0 GCADMN Cc1ccnn1CC(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571187975 952911737 /nfs/dbraw/zinc/91/17/37/952911737.db2.gz DZIRFVCJZJUIQH-OAHLLOKOSA-N 0 1 381.444 0.538 20 0 GCADMN Cc1cc(CN2C[C@@H]3CN(C(=O)c4ccc(-c5nn[nH]n5)[nH]4)C[C@@H]3C2)nn1C ZINC001571188154 952911996 /nfs/dbraw/zinc/91/19/96/952911996.db2.gz HAGKXKMSCFTTKZ-BETUJISGSA-N 0 1 381.444 0.441 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n(C)n1 ZINC001571188367 952913385 /nfs/dbraw/zinc/91/33/85/952913385.db2.gz JKGRKFNRFKMYOG-CHWSQXEVSA-N 0 1 381.444 0.879 20 0 GCADMN Cc1cnc(CNC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)nc1 ZINC001571188341 952913771 /nfs/dbraw/zinc/91/37/71/952913771.db2.gz IXNHRJWXWWYDCE-TZMCWYRMSA-N 0 1 381.444 0.791 20 0 GCADMN Cc1c(C(=O)NC[C@@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cnn1C ZINC001571188417 952914658 /nfs/dbraw/zinc/91/46/58/952914658.db2.gz KLFJDUXUSJXSFJ-BETUJISGSA-N 0 1 381.444 0.654 20 0 GCADMN C[C@@H](CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC001571188490 952916187 /nfs/dbraw/zinc/91/61/87/952916187.db2.gz BUWSYIRUMDZKTG-JTQLQIEISA-N 0 1 381.462 0.287 20 0 GCADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CC[C@@H](NCc2cc3n(n2)CCCC3)C1 ZINC001571188562 952917385 /nfs/dbraw/zinc/91/73/85/952917385.db2.gz DOQGJLWUPNGSSL-CYBMUJFWSA-N 0 1 381.444 0.732 20 0 GCADMN Cc1cc(NC[C@@H]2CN(C(=O)c3cncn3C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188808 952920925 /nfs/dbraw/zinc/92/09/25/952920925.db2.gz NBMGAZPYFOUFCM-DGCLKSJQSA-N 0 1 381.444 0.546 20 0 GCADMN Cn1cnc(C(=O)N2CCCC[C@H]2CCNc2ccncc2-c2nn[nH]n2)c1 ZINC001571188965 952922677 /nfs/dbraw/zinc/92/26/77/952922677.db2.gz KXAOIADOEIOPPY-ZDUSSCGKSA-N 0 1 381.444 0.914 20 0 GCADMN Cc1ccn(C)c1C(=O)N1C[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571189309 952927740 /nfs/dbraw/zinc/92/77/40/952927740.db2.gz URZDVWZEOAIPBM-STQMWFEESA-N 0 1 381.444 0.546 20 0 GCADMN Cn1cnc(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)CC2(C)C)n1 ZINC001571189414 952929354 /nfs/dbraw/zinc/92/93/54/952929354.db2.gz RFEXPPUZPYHHBR-CQSZACIVSA-N 0 1 381.444 0.636 20 0 GCADMN Cn1nccc1CN1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 ZINC001571189406 952929403 /nfs/dbraw/zinc/92/94/03/952929403.db2.gz QZHPFYDTCNCTEV-YJBOKZPZSA-N 0 1 381.444 0.855 20 0 GCADMN Cc1ccnn1CC(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571189584 952931816 /nfs/dbraw/zinc/93/18/16/952931816.db2.gz XUPDFTGDMYQNKW-KBPBESRZSA-N 0 1 381.444 0.586 20 0 GCADMN O=C(Cc1ncc[nH]1)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571189800 952935391 /nfs/dbraw/zinc/93/53/91/952935391.db2.gz VMQWQLXPDPAAQT-JOCQHMNTSA-N 0 1 381.444 0.736 20 0 GCADMN CCOc1nc(C(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)co1 ZINC001571194118 952958489 /nfs/dbraw/zinc/95/84/89/952958489.db2.gz GOBWYLWMPCQPMM-YABSGUDNSA-N 0 1 382.384 0.513 20 0 GCADMN COC(=O)c1ccc(N2CC(c3[nH]nc4c3COCC4)C2)c(-c2nn[nH]n2)n1 ZINC001571194626 952965967 /nfs/dbraw/zinc/96/59/67/952965967.db2.gz PCSLLHKABMFWOW-UHFFFAOYSA-N 0 1 382.384 0.448 20 0 GCADMN C[C@@H]1CC(=O)Nc2ccc(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)cc2N1 ZINC001571194723 952967123 /nfs/dbraw/zinc/96/71/23/952967123.db2.gz QONPBMJAPRDPRS-SECBINFHSA-N 0 1 382.388 0.031 20 0 GCADMN C[C@H]1CC(=O)Nc2ccc(C(=O)NCCn3cnc(-c4nn[nH]n4)n3)cc2N1 ZINC001571194724 952967381 /nfs/dbraw/zinc/96/73/81/952967381.db2.gz QONPBMJAPRDPRS-VIFPVBQESA-N 0 1 382.388 0.031 20 0 GCADMN O=C(CCc1ccccc1F)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571196947 952985577 /nfs/dbraw/zinc/98/55/77/952985577.db2.gz QPUWOCDCWXWFJM-ZDUSSCGKSA-N 0 1 382.403 0.863 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001571198957 952994821 /nfs/dbraw/zinc/99/48/21/952994821.db2.gz IOWWFJVHLJIZBR-CQSZACIVSA-N 0 1 382.428 0.993 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001571198956 952995531 /nfs/dbraw/zinc/99/55/31/952995531.db2.gz IOWWFJVHLJIZBR-AWEZNQCLSA-N 0 1 382.428 0.993 20 0 GCADMN C[C@H]1CN(C(=O)Cc2ccco2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571202518 953026670 /nfs/dbraw/zinc/02/66/70/953026670.db2.gz ZSJSVYFKKBBNJS-STQMWFEESA-N 0 1 382.428 0.811 20 0 GCADMN CCCn1nccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571204564 953029879 /nfs/dbraw/zinc/02/98/79/953029879.db2.gz BEYLDOFRUGCCBJ-LBPRGKRZSA-N 0 1 382.432 0.662 20 0 GCADMN CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571204618 953031233 /nfs/dbraw/zinc/03/12/33/953031233.db2.gz APUPGCBPLZLAKL-JTQLQIEISA-N 0 1 382.432 0.426 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571204712 953033084 /nfs/dbraw/zinc/03/30/84/953033084.db2.gz CQZXNUFPNXTCSF-NSHDSACASA-N 0 1 382.432 0.262 20 0 GCADMN C[C@H](NC(=O)c1ncn(C)n1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571205189 953036134 /nfs/dbraw/zinc/03/61/34/953036134.db2.gz HCXMBIYJZZVETK-NWDGAFQWSA-N 0 1 382.432 0.425 20 0 GCADMN CCc1nc[nH]c1C(=O)N1CCC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205201 953037364 /nfs/dbraw/zinc/03/73/64/953037364.db2.gz HIGXPUDMLNJZCF-NSHDSACASA-N 0 1 382.432 0.683 20 0 GCADMN CCc1cc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571205623 953039952 /nfs/dbraw/zinc/03/99/52/953039952.db2.gz LSOWORXKEOTURX-GFCCVEGCSA-N 0 1 382.432 0.471 20 0 GCADMN CC[C@@H]1CN(C(=O)c2n[nH]cc2C)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571205597 953040126 /nfs/dbraw/zinc/04/01/26/953040126.db2.gz LMSFJLSKHPZLSC-NEPJUHHUSA-N 0 1 382.432 0.463 20 0 GCADMN CCn1cc(C(=O)N2CC[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nn1 ZINC001571205619 953040176 /nfs/dbraw/zinc/04/01/76/953040176.db2.gz LRNBFHKSTHTLNQ-LBPRGKRZSA-N 0 1 382.432 0.178 20 0 GCADMN CCc1nc[nH]c1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571205880 953044126 /nfs/dbraw/zinc/04/41/26/953044126.db2.gz NIOUVGPAMNATTJ-UHFFFAOYSA-N 0 1 382.432 0.589 20 0 GCADMN CCCc1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571205925 953045153 /nfs/dbraw/zinc/04/51/53/953045153.db2.gz OLYALJMSEHSQLX-GFCCVEGCSA-N 0 1 382.432 0.471 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CCc1c[nH]nn1 ZINC001571206207 953048203 /nfs/dbraw/zinc/04/82/03/953048203.db2.gz SEAJONVNSLOMPX-RYUDHWBXSA-N 0 1 382.432 0.804 20 0 GCADMN Cc1noc(C)c1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H]1C ZINC001571206293 953048906 /nfs/dbraw/zinc/04/89/06/953048906.db2.gz OEMGMMXFDOUMID-ABAIWWIYSA-N 0 1 382.428 0.932 20 0 GCADMN Cc1noc(C)c1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H]1C ZINC001571206299 953049027 /nfs/dbraw/zinc/04/90/27/953049027.db2.gz OEMGMMXFDOUMID-NHYWBVRUSA-N 0 1 382.428 0.932 20 0 GCADMN CC[C@H](C)n1nccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206454 953051005 /nfs/dbraw/zinc/05/10/05/953051005.db2.gz UUNUEARSGFJQTP-NWDGAFQWSA-N 0 1 382.432 0.833 20 0 GCADMN CCn1cc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)cn1 ZINC001571206417 953051119 /nfs/dbraw/zinc/05/11/19/953051119.db2.gz GSAVUQAKBJFIJK-VXGBXAGGSA-N 0 1 382.432 0.375 20 0 GCADMN Cc1c(C(=O)N2CC[C@](C)(CNc3ccncc3-c3nn[nH]n3)C2)nnn1C ZINC001571206461 953051272 /nfs/dbraw/zinc/05/12/72/953051272.db2.gz HDBLKGAVUWYTIC-QGZVFWFLSA-N 0 1 382.432 0.085 20 0 GCADMN CCc1cc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1C ZINC001571206585 953053247 /nfs/dbraw/zinc/05/32/47/953053247.db2.gz VNTFBODDYTVQGW-NSHDSACASA-N 0 1 382.432 0.351 20 0 GCADMN C[C@@H]1CC[C@@H](NC(=O)c2nnn(C)n2)CN1Cc1ccccc1-c1nn[nH]n1 ZINC001571206666 953053789 /nfs/dbraw/zinc/05/37/89/953053789.db2.gz VYUMJXFKEZLUHP-DGCLKSJQSA-N 0 1 382.432 0.173 20 0 GCADMN CCn1nc(C)c(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571206794 953055908 /nfs/dbraw/zinc/05/59/08/953055908.db2.gz KTEXWOVYOWMBNU-GFCCVEGCSA-N 0 1 382.432 0.238 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC001571206980 953058485 /nfs/dbraw/zinc/05/84/85/953058485.db2.gz YVRUZKHHZJLYAY-NSHDSACASA-N 0 1 382.432 0.165 20 0 GCADMN CN(C[C@H]1CCN(C(=O)CCc2c[nH]nn2)C1)c1ncccc1-c1nn[nH]n1 ZINC001571207297 953061759 /nfs/dbraw/zinc/06/17/59/953061759.db2.gz PXEVGOFCSJENON-GFCCVEGCSA-N 0 1 382.432 0.297 20 0 GCADMN Cc1n[nH]cc1C(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571207287 953061824 /nfs/dbraw/zinc/06/18/24/953061824.db2.gz PNTJWQYHOOOHDF-GXFFZTMASA-N 0 1 382.432 0.463 20 0 GCADMN Cc1c(C(=O)N[C@@H]2CC[C@@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)cnn1C ZINC001571207314 953062095 /nfs/dbraw/zinc/06/20/95/953062095.db2.gz QIPVPHOWJXNOCF-ZYHUDNBSSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1c(C(=O)N[C@H]2CC[C@H](Nc3ccncc3-c3nn[nH]n3)CC2)nnn1C ZINC001571207301 953062215 /nfs/dbraw/zinc/06/22/15/953062215.db2.gz QAIKUAVULOENQI-HAQNSBGRSA-N 0 1 382.432 0.274 20 0 GCADMN O=C(NCc1cn(C2CN(CC3CCC3)C2)nn1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571209685 953066345 /nfs/dbraw/zinc/06/63/45/953066345.db2.gz AXRRFVTTZAOFBM-UHFFFAOYSA-N 0 1 382.432 0.373 20 0 GCADMN Cn1nncc1C(=O)N1CCC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571209906 953068528 /nfs/dbraw/zinc/06/85/28/953068528.db2.gz IGOOJLMSLTUTDJ-LBPRGKRZSA-N 0 1 382.432 0.167 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2nnc[nH]2)n1 ZINC001571211702 953079395 /nfs/dbraw/zinc/07/93/95/953079395.db2.gz FYBVVTKFLWACAU-AAEUAGOBSA-N 0 1 382.432 0.628 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCC[C@@H]2NC(=O)Cc2nnc[nH]2)n1 ZINC001571211705 953079685 /nfs/dbraw/zinc/07/96/85/953079685.db2.gz FYBVVTKFLWACAU-YPMHNXCESA-N 0 1 382.432 0.628 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@H]([C@@H](C)NC(=O)c3cnn[nH]3)C2)n1 ZINC001571211817 953081477 /nfs/dbraw/zinc/08/14/77/953081477.db2.gz GLMPHGLIRVFDGW-NEPJUHHUSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H](Nc2ccc(-c3nn[nH]n3)c(C)n2)[C@H](C)C1 ZINC001571212392 953087824 /nfs/dbraw/zinc/08/78/24/953087824.db2.gz NNVMDDVBKASWOZ-RNCFNFMXSA-N 0 1 382.432 0.959 20 0 GCADMN Cc1nc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n[nH]1 ZINC001571213095 953092365 /nfs/dbraw/zinc/09/23/65/953092365.db2.gz QROKBMITNDHWLB-CYBMUJFWSA-N 0 1 382.432 0.406 20 0 GCADMN Cc1nc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2nnc[nH]2)ccc1-c1nn[nH]n1 ZINC001571213149 953093104 /nfs/dbraw/zinc/09/31/04/953093104.db2.gz RLIIVXCEJPZHDS-AAEUAGOBSA-N 0 1 382.432 0.628 20 0 GCADMN Cc1nc([C@H](C)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 ZINC001571213161 953093792 /nfs/dbraw/zinc/09/37/92/953093792.db2.gz RNPDUCRFGIMGBT-ZMLRMANQSA-N 0 1 382.432 0.671 20 0 GCADMN Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571213419 953094166 /nfs/dbraw/zinc/09/41/66/953094166.db2.gz SMNVRIDHDYANGN-RYUDHWBXSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1nn(C)cc1C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571213475 953094991 /nfs/dbraw/zinc/09/49/91/953094991.db2.gz UTUWOSDIRUUUAF-UHFFFAOYSA-N 0 1 382.432 0.488 20 0 GCADMN Cc1nc(CC(=O)N[C@@H]2CC[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571213492 953095479 /nfs/dbraw/zinc/09/54/79/953095479.db2.gz VCTIKZDPXWNRLU-DGCLKSJQSA-N 0 1 382.432 0.628 20 0 GCADMN Cc1nc(CC(=O)N[C@H]2CC[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571213494 953095839 /nfs/dbraw/zinc/09/58/39/953095839.db2.gz VCTIKZDPXWNRLU-YPMHNXCESA-N 0 1 382.432 0.628 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H](C)[C@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571213832 953097672 /nfs/dbraw/zinc/09/76/72/953097672.db2.gz XLXOTTPAXYWSGO-CMPLNLGQSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571213779 953097738 /nfs/dbraw/zinc/09/77/38/953097738.db2.gz VPDFSSJGTAMCLR-SKDRFNHKSA-N 0 1 382.432 0.235 20 0 GCADMN Cc1ccn([C@H](C)CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571213869 953098817 /nfs/dbraw/zinc/09/88/17/953098817.db2.gz YAFOUBNBSRJXJC-CHWSQXEVSA-N 0 1 382.432 0.248 20 0 GCADMN Cc1nc(CN2CC[C@@]3(NC(=O)c4c[nH]c(-c5nn[nH]n5)c4)CCC[C@@H]23)n[nH]1 ZINC001571214194 953100472 /nfs/dbraw/zinc/10/04/72/953100472.db2.gz ZCUOZPJUBBUEGT-DYVFJYSZSA-N 0 1 382.432 0.548 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001571217335 953107502 /nfs/dbraw/zinc/10/75/02/953107502.db2.gz IHLKKZOZTXRUBQ-MNOVXSKESA-N 0 1 383.391 0.575 20 0 GCADMN Cc1nc(CC(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nn[nH]n4)C[C@H]32)n[nH]1 ZINC001571218613 953117441 /nfs/dbraw/zinc/11/74/41/953117441.db2.gz CHZWMBJAONMCCX-ORMTXKICSA-N 0 1 383.391 0.226 20 0 GCADMN O=C(N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ncccc1F ZINC001571219198 953123748 /nfs/dbraw/zinc/12/37/48/953123748.db2.gz LVSKYENKESJGAK-JQWIXIFHSA-N 0 1 383.391 0.623 20 0 GCADMN COCc1cc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)no1 ZINC001571219203 953124209 /nfs/dbraw/zinc/12/42/09/953124209.db2.gz LXHUITGXXFHWNS-UHFFFAOYSA-N 0 1 383.412 0.863 20 0 GCADMN O=C(c1ccc(F)cn1)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571219977 953128574 /nfs/dbraw/zinc/12/85/74/953128574.db2.gz WAFGCDDNVMIKEJ-LLVKDONJSA-N 0 1 383.391 0.577 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001571222070 953130274 /nfs/dbraw/zinc/13/02/74/953130274.db2.gz BEJZHYBSEDOPQL-AAEUAGOBSA-N 0 1 383.416 0.348 20 0 GCADMN CCCc1nc(C)c(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571222028 953131005 /nfs/dbraw/zinc/13/10/05/953131005.db2.gz AFDNDFMGECYTCH-LLVKDONJSA-N 0 1 383.416 0.914 20 0 GCADMN COc1c(C(=O)N[C@H]2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cnn1C ZINC001571222307 953133392 /nfs/dbraw/zinc/13/33/92/953133392.db2.gz DNFLCKGQMDVDAA-XYPYZODXSA-N 0 1 383.416 0.107 20 0 GCADMN COc1ccc(CN[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@H]2C)nn1 ZINC001571222422 953133909 /nfs/dbraw/zinc/13/39/09/953133909.db2.gz FCIOMVZIOVHKHA-QMTHXVAHSA-N 0 1 383.416 0.244 20 0 GCADMN Cc1ccc(C(=O)N2CCCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571222631 953136642 /nfs/dbraw/zinc/13/66/42/953136642.db2.gz KGXLJBRQOLVTNU-CYBMUJFWSA-N 0 1 383.412 0.928 20 0 GCADMN Cc1occc1C(=O)N1CCO[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571222609 953136764 /nfs/dbraw/zinc/13/67/64/953136764.db2.gz JXDCQZQGGCLBBX-ZDUSSCGKSA-N 0 1 383.412 0.847 20 0 GCADMN C[C@H]1CN(C(=O)Cc2cnoc2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571222641 953136918 /nfs/dbraw/zinc/13/69/18/953136918.db2.gz KINZHWMRTBCKDJ-AAEUAGOBSA-N 0 1 383.416 0.206 20 0 GCADMN CCc1nc(C)c(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)o1 ZINC001571222683 953137809 /nfs/dbraw/zinc/13/78/09/953137809.db2.gz IZYXRBJSHIFWSA-UHFFFAOYSA-N 0 1 383.416 0.654 20 0 GCADMN CCCc1nc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571222803 953139034 /nfs/dbraw/zinc/13/90/34/953139034.db2.gz LKFLQLBUPUTFJJ-LLVKDONJSA-N 0 1 383.416 0.736 20 0 GCADMN CCc1ncoc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571223066 953141218 /nfs/dbraw/zinc/14/12/18/953141218.db2.gz PXZOJAOKVCAXCO-NSHDSACASA-N 0 1 383.416 0.996 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571223289 953143631 /nfs/dbraw/zinc/14/36/31/953143631.db2.gz SKQZLZFJJWDPEN-BXKDBHETSA-N 0 1 383.416 0.383 20 0 GCADMN Cc1nocc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571223466 953143900 /nfs/dbraw/zinc/14/39/00/953143900.db2.gz RFFQEYWCENDFMD-JKSUJKDBSA-N 0 1 383.412 0.528 20 0 GCADMN CCCc1nc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571223406 953144208 /nfs/dbraw/zinc/14/42/08/953144208.db2.gz QUOHCTJEIYSXKB-UHFFFAOYSA-N 0 1 383.416 0.734 20 0 GCADMN Cc1nocc1C(=O)N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571223465 953144425 /nfs/dbraw/zinc/14/44/25/953144425.db2.gz RFFQEYWCENDFMD-HZPDHXFCSA-N 0 1 383.412 0.528 20 0 GCADMN CCc1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)co1 ZINC001571223793 953146993 /nfs/dbraw/zinc/14/69/93/953146993.db2.gz VQLVUTTUUOMVKR-MNOVXSKESA-N 0 1 383.416 0.734 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571223906 953147480 /nfs/dbraw/zinc/14/74/80/953147480.db2.gz ZSFVQHCNZNNHOO-MWLCHTKSSA-N 0 1 383.416 0.383 20 0 GCADMN CCc1oncc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571223846 953148010 /nfs/dbraw/zinc/14/80/10/953148010.db2.gz YIEIKEVLIAMTOU-PWSUYJOCSA-N 0 1 383.416 0.592 20 0 GCADMN C[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571224130 953149410 /nfs/dbraw/zinc/14/94/10/953149410.db2.gz YVKRUMCTRGTBDO-PWSUYJOCSA-N 0 1 383.416 0.664 20 0 GCADMN Cc1nnc(CC(=O)N(C)[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)o1 ZINC001571224878 953151528 /nfs/dbraw/zinc/15/15/28/953151528.db2.gz FVCUZPKUROTUEA-GFCCVEGCSA-N 0 1 383.416 0.541 20 0 GCADMN Cc1cc(C(=O)N2CCC([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)CC2)on1 ZINC001571226421 953155358 /nfs/dbraw/zinc/15/53/58/953155358.db2.gz QKBUQUKTFBWDTP-NSHDSACASA-N 0 1 383.416 0.728 20 0 GCADMN Cc1nc(N2CCC[C@@H](NC(=O)C3=NC(=O)N(C)C3)C2)ccc1-c1nn[nH]n1 ZINC001571226637 953156947 /nfs/dbraw/zinc/15/69/47/953156947.db2.gz UJBCJPSBGVPYIK-LLVKDONJSA-N 0 1 383.416 0.408 20 0 GCADMN CN1CC(C(=O)N2CCC[C@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)=NC1=O ZINC001571228467 953164452 /nfs/dbraw/zinc/16/44/52/953164452.db2.gz PHCMQFPRIIZHEK-LLVKDONJSA-N 0 1 383.416 0.665 20 0 GCADMN CN1CC(C(=O)N2CCC[C@@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)=NC1=O ZINC001571228471 953164601 /nfs/dbraw/zinc/16/46/01/953164601.db2.gz PHCMQFPRIIZHEK-NSHDSACASA-N 0 1 383.416 0.665 20 0 GCADMN O=C(CCc1cnc[nH]1)N1CCO[C@@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571228818 953166995 /nfs/dbraw/zinc/16/69/95/953166995.db2.gz VXXJSRPSJWOHCF-AWEZNQCLSA-N 0 1 383.416 0.257 20 0 GCADMN O=C(N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)c1cscn1 ZINC001571230574 953178476 /nfs/dbraw/zinc/17/84/76/953178476.db2.gz GNBNGVUVYTYFSS-LLVKDONJSA-N 0 1 383.441 0.902 20 0 GCADMN CN1C(=O)CCC[C@@H]1C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571231436 953183958 /nfs/dbraw/zinc/18/39/58/953183958.db2.gz WPZUPLGRMISCIR-MRXNPFEDSA-N 0 1 383.456 0.426 20 0 GCADMN O=C(N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC(=O)NC1 ZINC001571232501 953187440 /nfs/dbraw/zinc/18/74/40/953187440.db2.gz GZUJSQDNXLKHNM-HOTGVXAUSA-N 0 1 383.456 0.474 20 0 GCADMN O=C(C1CC2(CC2)C1)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571232704 953188475 /nfs/dbraw/zinc/18/84/75/953188475.db2.gz JLTFMGUJIZXJJL-AWEZNQCLSA-N 0 1 383.456 0.903 20 0 GCADMN O=C(N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCCC(=O)N1 ZINC001571232846 953189420 /nfs/dbraw/zinc/18/94/20/953189420.db2.gz LFQFTRZPTUQYCY-GOEBONIOSA-N 0 1 383.456 0.616 20 0 GCADMN C[C@@]1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571233278 953191365 /nfs/dbraw/zinc/19/13/65/953191365.db2.gz QYYMNETYMMDQOJ-FZKQIMNGSA-N 0 1 383.460 0.084 20 0 GCADMN Cc1cc(N2C[C@@H](O)[C@H](NC(=O)C34CCC(CC3)C4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233306 953191643 /nfs/dbraw/zinc/19/16/43/953191643.db2.gz RKAFNQKULXEALN-PFGJBQGLSA-N 0 1 383.456 0.816 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nnn[n-]4)cn2)C3)C1 ZINC001571233880 953196607 /nfs/dbraw/zinc/19/66/07/953196607.db2.gz GPUMQFARJTWLBH-LXIYXOSZSA-N 0 1 383.460 0.084 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nnn[n-]4)cn2)C3)C1 ZINC001571233880 953196609 /nfs/dbraw/zinc/19/66/09/953196609.db2.gz GPUMQFARJTWLBH-LXIYXOSZSA-N 0 1 383.460 0.084 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nn[n-]n4)cn2)C3)C1 ZINC001571233880 953196611 /nfs/dbraw/zinc/19/66/11/953196611.db2.gz GPUMQFARJTWLBH-LXIYXOSZSA-N 0 1 383.460 0.084 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@]23CCC[C@H]2CN(c2cnc(-c4nn[n-]n4)cn2)C3)C1 ZINC001571233880 953196612 /nfs/dbraw/zinc/19/66/12/953196612.db2.gz GPUMQFARJTWLBH-LXIYXOSZSA-N 0 1 383.460 0.084 20 0 GCADMN O=C(N[C@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C12CC[NH+](CC1)C2 ZINC001571233879 953197009 /nfs/dbraw/zinc/19/70/09/953197009.db2.gz GPHLCJRZDUTYLM-STQMWFEESA-N 0 1 383.460 0.592 20 0 GCADMN O=C(N[C@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001571233879 953197010 /nfs/dbraw/zinc/19/70/10/953197010.db2.gz GPHLCJRZDUTYLM-STQMWFEESA-N 0 1 383.460 0.592 20 0 GCADMN O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571234086 953199350 /nfs/dbraw/zinc/19/93/50/953199350.db2.gz MWQZHZCOIZIJCZ-ZIAGYGMSSA-N 0 1 383.460 0.401 20 0 GCADMN 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391.515 0.351 20 0 GCADMN COc1cccnc1NS(=O)(=O)CCCCS(=O)(=O)N1CC[C@H](F)C1 ZINC000656387823 530845202 /nfs/dbraw/zinc/84/52/02/530845202.db2.gz NSFFBPSTEIXLLZ-LBPRGKRZSA-N 0 1 395.478 0.986 20 0 GCADMN C[C@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2cnc[nH]2)CCCO1 ZINC000656387797 530845544 /nfs/dbraw/zinc/84/55/44/530845544.db2.gz HWBMSJGRTJFJID-LBPRGKRZSA-N 0 1 380.492 0.372 20 0 GCADMN CSc1n[nH]c(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@H](C)C2)n1 ZINC000349593299 530898360 /nfs/dbraw/zinc/89/83/60/530898360.db2.gz RYVTUIZNTPSAMF-JTQLQIEISA-N 0 1 397.548 0.720 20 0 GCADMN CO[C@H]1CS(=O)(=O)C[C@@H]1NCc1c(Cl)cccc1N1CCN(C)CC1 ZINC000657601081 530898565 /nfs/dbraw/zinc/89/85/65/530898565.db2.gz AWBQOLABRLZBBW-RDJZCZTQSA-N 0 1 387.933 0.993 20 0 GCADMN Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)[C@@H]2CCOC2)c1C ZINC000349533646 530899476 /nfs/dbraw/zinc/89/94/76/530899476.db2.gz GCBKEYSAAFTLMG-QWHCGFSZSA-N 0 1 394.519 0.503 20 0 GCADMN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]3CCN(C)C[C@@H]32)cc1 ZINC000272288716 530899880 /nfs/dbraw/zinc/89/98/80/530899880.db2.gz FJDCKSXBZAHPOL-CJNGLKHVSA-N 0 1 387.527 0.652 20 0 GCADMN Cc1cccc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H](C)c2nnc[nH]2)n1 ZINC000349549982 530903347 /nfs/dbraw/zinc/90/33/47/530903347.db2.gz HEMVEXREJWLBFB-NSHDSACASA-N 0 1 388.475 0.321 20 0 GCADMN C[C@@H]1C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)Nc2ccn(C)n2)CCO1 ZINC000349549191 530903378 /nfs/dbraw/zinc/90/33/78/530903378.db2.gz YOPVIDJXNQLMFG-OLZOCXBDSA-N 0 1 394.519 0.286 20 0 GCADMN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCS2)ccn1 ZINC000349551522 530904159 /nfs/dbraw/zinc/90/41/59/530904159.db2.gz KXAWYVMTVYQBOO-CQSZACIVSA-N 0 1 393.556 0.759 20 0 GCADMN C[C@@H]1CCC[C@@H]1CNS(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349553642 530904709 /nfs/dbraw/zinc/90/47/09/530904709.db2.gz PTPAIBSEQWHMHL-CHWSQXEVSA-N 0 1 378.520 0.908 20 0 GCADMN Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCS2)c1C ZINC000349557321 530905466 /nfs/dbraw/zinc/90/54/66/530905466.db2.gz YMQFIWRXGRVHAU-GFCCVEGCSA-N 0 1 396.560 0.973 20 0 GCADMN CO[C@@H]1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2ccnc(C)c2)C1 ZINC000349560588 530906826 /nfs/dbraw/zinc/90/68/26/530906826.db2.gz YVRJBSAGCXJGQI-UKRRQHHQSA-N 0 1 391.515 0.431 20 0 GCADMN CCS(=O)(=O)C[C@@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000502779655 530876646 /nfs/dbraw/zinc/87/66/46/530876646.db2.gz YNWZGIDAIRFKLF-CYBMUJFWSA-N 0 1 376.523 0.052 20 0 GCADMN CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000502884131 530877788 /nfs/dbraw/zinc/87/77/88/530877788.db2.gz CASICDMTIUSXCR-NSHDSACASA-N 0 1 378.520 0.718 20 0 GCADMN CCN(CC)CCN(C(=O)COC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 ZINC000503500386 530881816 /nfs/dbraw/zinc/88/18/16/530881816.db2.gz XVDJYNHZSBWMGR-CVEARBPZSA-N 0 1 376.519 0.397 20 0 GCADMN CCc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N(C)C2CC(O)C2)c1C ZINC000349500078 530882484 /nfs/dbraw/zinc/88/24/84/530882484.db2.gz PIBYQQBHNVLHPX-UHFFFAOYSA-N 0 1 394.519 0.197 20 0 GCADMN Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C(C)(C)O)ccn1 ZINC000349509245 530885493 /nfs/dbraw/zinc/88/54/93/530885493.db2.gz NMONWXNNGIHTMC-CYBMUJFWSA-N 0 1 393.531 0.365 20 0 GCADMN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)c(F)c1 ZINC000622012637 530888477 /nfs/dbraw/zinc/88/84/77/530888477.db2.gz DQDCGPBQVRSDIE-YGRLFVJLSA-N 0 1 377.463 0.699 20 0 GCADMN CN(Cc1ccoc1)S(=O)(=O)CCCS(=O)(=O)Nc1ccn(C)n1 ZINC000349519747 530888804 /nfs/dbraw/zinc/88/88/04/530888804.db2.gz PZZCWTGGTZOYGJ-UHFFFAOYSA-N 0 1 376.460 0.607 20 0 GCADMN C[C@H](CS(C)(=O)=O)NC(=O)N1CCC(CCCN2CCOCC2)CC1 ZINC000504417302 530890197 /nfs/dbraw/zinc/89/01/97/530890197.db2.gz ACDMQUCGQTZSMM-OAHLLOKOSA-N 0 1 375.535 0.954 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)[C@H]3CNCCO3)C2=O)ccc1Br ZINC000646516718 530891191 /nfs/dbraw/zinc/89/11/91/530891191.db2.gz HHBFEATYFOVGTN-UONOGXRCSA-N 0 1 382.258 0.967 20 0 GCADMN O=S(=O)(NCC(F)(F)F)c1ccccc1S(=O)(=O)N[C@@H]1CC[C@H]1O ZINC000349469414 530891338 /nfs/dbraw/zinc/89/13/38/530891338.db2.gz KOIGQHZZSUWVAT-RKDXNWHRSA-N 0 1 388.389 0.329 20 0 GCADMN Cc1nn(C)c(C)c1CNS(=O)(=O)CCCS(=O)(=O)Nc1cnc[nH]1 ZINC000519641672 530892682 /nfs/dbraw/zinc/89/26/82/530892682.db2.gz BDYDBRBKVLSUAZ-UHFFFAOYSA-N 0 1 390.491 0.011 20 0 GCADMN CC(=O)Nc1cccnc1NS(=O)(=O)CCCCS(=O)(=O)N(C)C ZINC000349569727 530893333 /nfs/dbraw/zinc/89/33/33/530893333.db2.gz WFHGOWMLERTPFH-UHFFFAOYSA-N 0 1 378.476 0.453 20 0 GCADMN Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CO[C@@H](C)C2)c1C ZINC000349584387 530896503 /nfs/dbraw/zinc/89/65/03/530896503.db2.gz YTVZJGHDXIIFLK-JOYOIKCWSA-N 0 1 380.492 0.255 20 0 GCADMN Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCOC2)c1C ZINC000349589422 530897338 /nfs/dbraw/zinc/89/73/38/530897338.db2.gz HKXZNGGTPHBVKH-CYBMUJFWSA-N 0 1 394.519 0.504 20 0 GCADMN Cc1[nH]nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCOC2)c1C ZINC000349589423 530897638 /nfs/dbraw/zinc/89/76/38/530897638.db2.gz HKXZNGGTPHBVKH-ZDUSSCGKSA-N 0 1 394.519 0.504 20 0 GCADMN Cc1nc([C@@H](C)NS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)n[nH]1 ZINC000511003539 530931744 /nfs/dbraw/zinc/93/17/44/530931744.db2.gz ZTJCVHCVXBINHO-SSDOTTSWSA-N 0 1 377.423 0.663 20 0 GCADMN Cc1nc([C@H](C)NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n[nH]1 ZINC000511047280 530932342 /nfs/dbraw/zinc/93/23/42/530932342.db2.gz YGGFPWASICPCLN-VIFPVBQESA-N 0 1 385.471 0.593 20 0 GCADMN O=C(CNC(=O)c1csc(I)c1)N1CCNCC1 ZINC000124216902 530912411 /nfs/dbraw/zinc/91/24/11/530912411.db2.gz KTCCFROZKNYFNG-UHFFFAOYSA-N 0 1 379.223 0.514 20 0 GCADMN Cc1[nH]nc(NS(=O)(=O)CCCCS(=O)(=O)N2C[C@H](O)C[C@H]2C)c1C ZINC000349628270 530913713 /nfs/dbraw/zinc/91/37/13/530913713.db2.gz XCFMXBHAEUCHSM-ZWNOBZJWSA-N 0 1 394.519 0.333 20 0 GCADMN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCCN2CCC(OC)CC2)C1 ZINC000610574590 530916099 /nfs/dbraw/zinc/91/60/99/530916099.db2.gz BIILQWWZKVHDAL-CQSZACIVSA-N 0 1 377.507 0.207 20 0 GCADMN O=S(=O)(Nc1ccnn1[C@H]1CCS(=O)(=O)C1)c1cccc2c1OCO2 ZINC000509203564 530916404 /nfs/dbraw/zinc/91/64/04/530916404.db2.gz RLVQGYPBSCODCU-JTQLQIEISA-N 0 1 385.423 0.772 20 0 GCADMN Cn1cc(S(=O)(=O)[N-]CCN2CCC([NH+](C)C)CC2)c(C(F)(F)F)n1 ZINC000584542876 530918665 /nfs/dbraw/zinc/91/86/65/530918665.db2.gz LGHMIONKCXOHSI-UHFFFAOYSA-N 0 1 383.440 0.743 20 0 GCADMN Cc1ccncc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000584540837 530918763 /nfs/dbraw/zinc/91/87/63/530918763.db2.gz MHOHFJVUMVAJKU-UHFFFAOYSA-N 0 1 385.467 0.804 20 0 GCADMN CCOC(=O)C(C)(C)CC(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000584565145 530919127 /nfs/dbraw/zinc/91/91/27/530919127.db2.gz FXSMSUGMBRHMJR-AWEZNQCLSA-N 0 1 376.519 0.933 20 0 GCADMN NS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000509623865 530919279 /nfs/dbraw/zinc/91/92/79/530919279.db2.gz VZYWQLGREASVKQ-UHFFFAOYSA-N 0 1 385.423 0.874 20 0 GCADMN CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H](C)CC(=O)NC ZINC000583867389 530919488 /nfs/dbraw/zinc/91/94/88/530919488.db2.gz GLKMVPNLLFHSSW-ZDUSSCGKSA-N 0 1 390.527 0.758 20 0 GCADMN C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000509637385 530920115 /nfs/dbraw/zinc/92/01/15/530920115.db2.gz UIDXTLGZLNISKL-UWVGGRQHSA-N 0 1 396.437 0.183 20 0 GCADMN CC[C@H](C)N[C@@H](CNS(=O)(=O)CCNS(=O)(=O)CC)c1ccco1 ZINC000510432920 530926468 /nfs/dbraw/zinc/92/64/68/530926468.db2.gz ZSZIEIUIYZZKLS-STQMWFEESA-N 0 1 381.520 0.568 20 0 GCADMN C[C@H]1CNCCN1C(=O)C(=O)NCCNC(=O)c1cccc(Br)c1 ZINC000419433817 530958392 /nfs/dbraw/zinc/95/83/92/530958392.db2.gz IAVGBTHMJBIKDA-NSHDSACASA-N 0 1 397.273 0.115 20 0 GCADMN CC(C)[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)[C@H](O)C(F)(F)F ZINC000632305779 530965626 /nfs/dbraw/zinc/96/56/26/530965626.db2.gz DRBSPMYIBMJKRV-STQMWFEESA-N 0 1 375.457 0.491 20 0 GCADMN O=C(CNS(=O)(=O)c1ccc(Br)s1)NCCN1CCC1 ZINC000517350026 530960642 /nfs/dbraw/zinc/96/06/42/530960642.db2.gz XXKRGUCTOGMQMT-UHFFFAOYSA-N 0 1 382.305 0.611 20 0 GCADMN CCC(CC)[C@H](CNC(=O)CCN1CCCS1(=O)=O)N1CCOCC1 ZINC000517350474 530960690 /nfs/dbraw/zinc/96/06/90/530960690.db2.gz OUWWFHHTTOMRRL-INIZCTEOSA-N 0 1 375.535 0.665 20 0 GCADMN O=C(N[C@H]1CCN(c2ccc(Br)cc2)C1)C(=O)N1CCNCC1 ZINC000419633129 530960915 /nfs/dbraw/zinc/96/09/15/530960915.db2.gz ATUHOMCIHPPIKQ-ZDUSSCGKSA-N 0 1 381.274 0.576 20 0 GCADMN C[C@@H]1CNCCN1C(=O)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000419653288 530961134 /nfs/dbraw/zinc/96/11/34/530961134.db2.gz QSJAACXRDDJZIO-OCCSQVGLSA-N 0 1 395.301 0.964 20 0 GCADMN CN1CCN(CCCS(=O)(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000632296552 530965738 /nfs/dbraw/zinc/96/57/38/530965738.db2.gz LOMQTAITQDPJAC-QGZVFWFLSA-N 0 1 375.535 0.224 20 0 GCADMN O=C(NCCCNS(=O)(=O)c1ccccc1Cl)NC[C@H]1COCCN1 ZINC000627027030 530963987 /nfs/dbraw/zinc/96/39/87/530963987.db2.gz GOPICGLCNGTKKN-LBPRGKRZSA-N 0 1 390.893 0.296 20 0 GCADMN O=C(NCc1nc(-c2cccc(Br)c2)no1)C(=O)N1CCNCC1 ZINC000418805217 530936202 /nfs/dbraw/zinc/93/62/02/530936202.db2.gz GXFFPQLQNFYKOV-UHFFFAOYSA-N 0 1 394.229 0.547 20 0 GCADMN CC(C)CN1CCO[C@@H](CNC(=O)NCCS(=O)(=O)NC(C)(C)C)C1 ZINC000642657935 530936333 /nfs/dbraw/zinc/93/63/33/530936333.db2.gz ZAQIVTAHMHMWER-AWEZNQCLSA-N 0 1 378.539 0.360 20 0 GCADMN CN(C)S(=O)(=O)NCC(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000646668645 530938513 /nfs/dbraw/zinc/93/85/13/530938513.db2.gz CFFNGXDHXCBTCX-OAHLLOKOSA-N 0 1 388.921 0.989 20 0 GCADMN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC[C@@H](c2nc[nH]n2)C1)C(F)(F)F ZINC000425669857 530939950 /nfs/dbraw/zinc/93/99/50/530939950.db2.gz DEYIHSNUQRASCX-RKDXNWHRSA-N 0 1 384.384 0.126 20 0 GCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@@H](COC)OC ZINC000512415181 530942330 /nfs/dbraw/zinc/94/23/30/530942330.db2.gz LTYQSDSORHOOJZ-LBPRGKRZSA-N 0 1 396.487 0.397 20 0 GCADMN O=C(NCCN1CC[C@@H](O)C1)C(=O)Nc1ccc(F)c(Br)c1F ZINC000627982258 530942517 /nfs/dbraw/zinc/94/25/17/530942517.db2.gz BAJRUEVJWNNJGY-MRVPVSSYSA-N 0 1 392.200 0.849 20 0 GCADMN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000425218985 530945343 /nfs/dbraw/zinc/94/53/43/530945343.db2.gz ZWYFCBQVNCRBFY-XJKSGUPXSA-N 0 1 387.527 0.652 20 0 GCADMN 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ZINC000820626215 598171983 /nfs/dbraw/zinc/17/19/83/598171983.db2.gz LLVUVBTWEHZXML-UHFFFAOYSA-N 0 1 390.440 0.384 20 0 GCADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820524194 598174198 /nfs/dbraw/zinc/17/41/98/598174198.db2.gz IZAYQYVGMGSJKI-HNNXBMFYSA-N 0 1 390.440 0.382 20 0 GCADMN COC1CCN(CCNC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821679529 607343266 /nfs/dbraw/zinc/34/32/66/607343266.db2.gz BAPKDXHQMIVKND-UHFFFAOYSA-N 0 1 391.407 0.171 20 0 GCADMN COCCN(CC[NH+](C)C)C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[n-]n2)c1C ZINC000736994919 598239830 /nfs/dbraw/zinc/23/98/30/598239830.db2.gz NUFCSFYLPBCXJH-UHFFFAOYSA-N 0 1 391.476 0.553 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCCN2CCOC[C@H]2C)cc1-c1nn[nH]n1 ZINC000737185638 598260229 /nfs/dbraw/zinc/26/02/29/598260229.db2.gz ABTVIRXOQHGVHI-SECBINFHSA-N 0 1 379.446 0.140 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)cc1-c1nn[nH]n1 ZINC000737186910 598262503 /nfs/dbraw/zinc/26/25/03/598262503.db2.gz LNVNYRYDKQZWCK-ZJUUUORDSA-N 0 1 393.473 0.528 20 0 GCADMN C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736229030 598264619 /nfs/dbraw/zinc/26/46/19/598264619.db2.gz PTFOFDXZZQJFTK-CHWSQXEVSA-N 0 1 379.490 0.908 20 0 GCADMN C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736229030 598264620 /nfs/dbraw/zinc/26/46/20/598264620.db2.gz PTFOFDXZZQJFTK-CHWSQXEVSA-N 0 1 379.490 0.908 20 0 GCADMN O[C@@H](COC[C@@H]1CCCO1)CN1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738386559 598274415 /nfs/dbraw/zinc/27/44/15/598274415.db2.gz MNNNEMCJARVIGD-CVEARBPZSA-N 0 1 388.472 0.545 20 0 GCADMN CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1C[C@@H](C)O ZINC000736411605 598342732 /nfs/dbraw/zinc/34/27/32/598342732.db2.gz QVUWQICAZLOEOZ-CKEIUWERSA-N 0 1 387.488 0.971 20 0 GCADMN Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@@H](C)O)[C@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737549243 598344611 /nfs/dbraw/zinc/34/46/11/598344611.db2.gz UCZUSDVZZOFOJP-WZRBSPASSA-N 0 1 391.476 0.790 20 0 GCADMN Cc1oc(NC(=O)CN2CCN(C[C@H](C)O)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737553419 598344626 /nfs/dbraw/zinc/34/46/26/598344626.db2.gz VQUOOHWMLVGLFG-QWRGUYRKSA-N 0 1 377.449 0.402 20 0 GCADMN CN1CCN(C[C@H]2CN(C(=O)c3sccc3-c3nn[nH]n3)CCO2)CC1 ZINC000736865110 598345209 /nfs/dbraw/zinc/34/52/09/598345209.db2.gz VEZVWXQZPVZQHF-LBPRGKRZSA-N 0 1 377.474 0.017 20 0 GCADMN COCCN1CCC[C@@H](NC(=O)COc2ccc(-c3nn[nH]n3)cc2OC)C1 ZINC000737006738 598363103 /nfs/dbraw/zinc/36/31/03/598363103.db2.gz IPYCAPNJBNEBJG-CQSZACIVSA-N 0 1 390.444 0.481 20 0 GCADMN O=C(COc1cccnc1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737928122 598374258 /nfs/dbraw/zinc/37/42/58/598374258.db2.gz FBXUUJUUKDQUAY-UHFFFAOYSA-N 0 1 396.411 0.855 20 0 GCADMN Cc1cc(=O)c(C(=O)N=c2cc[nH]cc2-c2nn[nH]n2)nn1-c1ccccc1F ZINC000737226075 598381366 /nfs/dbraw/zinc/38/13/66/598381366.db2.gz NNYIBRVXGXEGMF-UHFFFAOYSA-N 0 1 392.354 0.929 20 0 GCADMN C[C@@H](CN1CCN(C)CC1)NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736000972 598401316 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GCADMN CSc1[nH]c(=O)c(C(=O)NCCC(=O)NC(C)(C)C)cc1-c1nn[nH]n1 ZINC000737187738 598555927 /nfs/dbraw/zinc/55/59/27/598555927.db2.gz SXRZYPBQRAVGKP-UHFFFAOYSA-N 0 1 379.446 0.724 20 0 GCADMN CCN(C1CCN(CCOc2ccccc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC000736513303 598557653 /nfs/dbraw/zinc/55/76/53/598557653.db2.gz XQGWJQMHQPBBOH-UHFFFAOYSA-N 0 1 394.501 0.991 20 0 GCADMN O=C1[C@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1c1ccccc1 ZINC000738294271 598596910 /nfs/dbraw/zinc/59/69/10/598596910.db2.gz BFHQYYFCTWZJTR-SWLSCSKDSA-N 0 1 379.428 0.500 20 0 GCADMN CN1CCN(C[C@H]2CN(C(=O)CCc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736864552 598613310 /nfs/dbraw/zinc/61/33/10/598613310.db2.gz RVRRAVCDBYYFMD-SFHVURJKSA-N 0 1 399.499 0.274 20 0 GCADMN O[C@H]([C@H]1CCCN1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1)C(F)(F)F ZINC000738388952 598619138 /nfs/dbraw/zinc/61/91/38/598619138.db2.gz USTUYQXFHFHNPU-IACUBPJLSA-N 0 1 387.362 0.994 20 0 GCADMN O=C(C[NH2+]C1(CO)CCOCC1)Nc1c(-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000737892107 598620399 /nfs/dbraw/zinc/62/03/99/598620399.db2.gz UMKVXZQNZOYBFI-UHFFFAOYSA-N 0 1 398.427 0.122 20 0 GCADMN CC(C)[C@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)N1CCOCC1 ZINC000735707097 598631339 /nfs/dbraw/zinc/63/13/39/598631339.db2.gz GMVUPOJHPXWMEX-HNNXBMFYSA-N 0 1 395.489 0.283 20 0 GCADMN C[C@H]1CN(CCCNc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)C[C@H](C)O1 ZINC000736287542 598631454 /nfs/dbraw/zinc/63/14/54/598631454.db2.gz PVMXWFBMZKYFDZ-RYUDHWBXSA-N 0 1 395.489 0.425 20 0 GCADMN O=C(C[NH+]1CCCC1)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000737875648 598673539 /nfs/dbraw/zinc/67/35/39/598673539.db2.gz FGTIOXOHGMXMTO-UHFFFAOYSA-N 0 1 382.881 0.721 20 0 GCADMN C[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[N@@H+](C)Cc1ccccc1 ZINC000736025870 598676254 /nfs/dbraw/zinc/67/62/54/598676254.db2.gz JUYHREOYXNZMIO-GFCCVEGCSA-N 0 1 384.444 0.197 20 0 GCADMN C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[N@H+](C)Cc1ccccc1 ZINC000736025870 598676255 /nfs/dbraw/zinc/67/62/55/598676255.db2.gz JUYHREOYXNZMIO-GFCCVEGCSA-N 0 1 384.444 0.197 20 0 GCADMN C[C@H](CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[N@@H+](C)Cc1ccccc1 ZINC000736025870 598676257 /nfs/dbraw/zinc/67/62/57/598676257.db2.gz JUYHREOYXNZMIO-GFCCVEGCSA-N 0 1 384.444 0.197 20 0 GCADMN COC(=O)CCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736919646 598721091 /nfs/dbraw/zinc/72/10/91/598721091.db2.gz VFCHWKCKWNOHHR-UHFFFAOYSA-N 0 1 390.787 0.514 20 0 GCADMN C[C@@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736130637 598787371 /nfs/dbraw/zinc/78/73/71/598787371.db2.gz HUVQWGIPBWHCPP-ZJUUUORDSA-N 0 1 399.484 0.940 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nnn[n-]3)CC2)C1 ZINC000736847259 598814187 /nfs/dbraw/zinc/81/41/87/598814187.db2.gz FXDFEGBAJWUBRP-LBPRGKRZSA-N 0 1 398.427 0.715 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1 ZINC000736847259 598814193 /nfs/dbraw/zinc/81/41/93/598814193.db2.gz FXDFEGBAJWUBRP-LBPRGKRZSA-N 0 1 398.427 0.715 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1 ZINC000736847259 598814194 /nfs/dbraw/zinc/81/41/94/598814194.db2.gz FXDFEGBAJWUBRP-LBPRGKRZSA-N 0 1 398.427 0.715 20 0 GCADMN CCc1nc([C@@H]2CN(S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000736697238 599293582 /nfs/dbraw/zinc/29/35/82/599293582.db2.gz BXFJXYLQMPVYEF-LBPRGKRZSA-N 0 1 390.429 0.309 20 0 GCADMN Cc1nc([C@@H]2CN(S(=O)(=O)Cc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000737454044 599294160 /nfs/dbraw/zinc/29/41/60/599294160.db2.gz VYFOXYYTUUYTHL-ZDUSSCGKSA-N 0 1 390.429 0.197 20 0 GCADMN CNC(=O)CN(C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000736873757 599299134 /nfs/dbraw/zinc/29/91/34/599299134.db2.gz LHSOLPKTLKWFCV-UHFFFAOYSA-N 0 1 377.474 0.813 20 0 GCADMN CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)[C@@H]1CCOC1 ZINC000736767905 599324121 /nfs/dbraw/zinc/32/41/21/599324121.db2.gz TYHQRKSXQAIKKF-OAHLLOKOSA-N 0 1 380.474 0.349 20 0 GCADMN CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)Cc1ccon1 ZINC000821585982 599340241 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/nfs/dbraw/zinc/20/91/00/607209100.db2.gz AUMIQWGBSWHLPN-UHFFFAOYSA-N 0 1 390.411 0.449 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000823125703 607209792 /nfs/dbraw/zinc/20/97/92/607209792.db2.gz BKPCAUJWHNVILG-INIZCTEOSA-N 0 1 375.396 0.892 20 0 GCADMN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819939401 607211022 /nfs/dbraw/zinc/21/10/22/607211022.db2.gz ASFMRZGAMLYTKZ-LLVKDONJSA-N 0 1 391.436 0.364 20 0 GCADMN CCCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000821081826 607212056 /nfs/dbraw/zinc/21/20/56/607212056.db2.gz AZTGYCKKBLOMCK-LBPRGKRZSA-N 0 1 383.416 0.724 20 0 GCADMN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821015155 607212110 /nfs/dbraw/zinc/21/21/10/607212110.db2.gz OMZZMJNSSMBUHH-NWDGAFQWSA-N 0 1 375.437 0.002 20 0 GCADMN CC(C)(C)OC(=O)N1CCC(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000819933027 607212370 /nfs/dbraw/zinc/21/23/70/607212370.db2.gz COCTYTGTEGBGNW-UHFFFAOYSA-N 0 1 391.436 0.222 20 0 GCADMN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822242718 607212837 /nfs/dbraw/zinc/21/28/37/607212837.db2.gz VINUQZSUPVEUNL-LBPRGKRZSA-N 0 1 399.440 0.307 20 0 GCADMN O=C(CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc2ccccc21 ZINC000823127069 607213258 /nfs/dbraw/zinc/21/32/58/607213258.db2.gz RRPYEMGKLJJQLO-UHFFFAOYSA-N 0 1 377.368 0.366 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1)C(=O)OC(C)(C)C ZINC000821596624 607214022 /nfs/dbraw/zinc/21/40/22/607214022.db2.gz PXKJXUWJNJKCBA-NSHDSACASA-N 0 1 391.436 0.174 20 0 GCADMN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821321178 607214960 /nfs/dbraw/zinc/21/49/60/607214960.db2.gz VLYOEDHLFNXDLH-ZDUSSCGKSA-N 0 1 384.400 0.091 20 0 GCADMN COCCN(Cc1ccc(F)cc1Cl)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821690710 607215292 /nfs/dbraw/zinc/21/52/92/607215292.db2.gz WQTNKODSLLMKGD-UHFFFAOYSA-N 0 1 394.798 0.926 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000823131931 607215766 /nfs/dbraw/zinc/21/57/66/607215766.db2.gz RCRGLUVODURASK-LLVKDONJSA-N 0 1 388.363 0.794 20 0 GCADMN CCc1ccc2c(c1)[C@@H](CCNC(=O)Cn1cnc(-c3nn[nH]n3)n1)C(=O)N2 ZINC000821486807 607216035 /nfs/dbraw/zinc/21/60/35/607216035.db2.gz MJNOYLXTMYNATH-LLVKDONJSA-N 0 1 381.400 0.263 20 0 GCADMN C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000820735093 607216486 /nfs/dbraw/zinc/21/64/86/607216486.db2.gz QDUGKPLIRZCUPD-GHMZBOCLSA-N 0 1 391.436 0.315 20 0 GCADMN C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820569986 607217216 /nfs/dbraw/zinc/21/72/16/607217216.db2.gz BPDFDCRWGYMXRZ-ZDUSSCGKSA-N 0 1 381.444 0.800 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1cccc(COC2CCOCC2)c1 ZINC000823131537 607217367 /nfs/dbraw/zinc/21/73/67/607217367.db2.gz IUWWVDCAEMXECE-UHFFFAOYSA-N 0 1 398.427 0.470 20 0 GCADMN C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H]1c1cccs1 ZINC000821623742 607218663 /nfs/dbraw/zinc/21/86/63/607218663.db2.gz RNUQVNRUEDAXBC-FZMZJTMJSA-N 0 1 387.473 0.719 20 0 GCADMN C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1cccs1 ZINC000821623742 607218664 /nfs/dbraw/zinc/21/86/64/607218664.db2.gz RNUQVNRUEDAXBC-FZMZJTMJSA-N 0 1 387.473 0.719 20 0 GCADMN C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1cccs1 ZINC000821623742 607218665 /nfs/dbraw/zinc/21/86/65/607218665.db2.gz RNUQVNRUEDAXBC-FZMZJTMJSA-N 0 1 387.473 0.719 20 0 GCADMN CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC000819933427 607219507 /nfs/dbraw/zinc/21/95/07/607219507.db2.gz RFZBDORDSKREKW-UHFFFAOYSA-N 0 1 391.436 0.316 20 0 GCADMN Cn1ccnc1C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000822698820 607220209 /nfs/dbraw/zinc/22/02/09/607220209.db2.gz GQPZALOSBXWPQJ-ZDUSSCGKSA-N 0 1 378.400 0.292 20 0 GCADMN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821593605 607221601 /nfs/dbraw/zinc/22/16/01/607221601.db2.gz BCTPRAGMFCLQKU-UHFFFAOYSA-N 0 1 393.452 0.468 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCC1CCN(CC(F)(F)F)CC1 ZINC000823127002 607221790 /nfs/dbraw/zinc/22/17/90/607221790.db2.gz QMJKBQPHFXYRLH-UHFFFAOYSA-N 0 1 387.370 0.239 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000823127131 607222091 /nfs/dbraw/zinc/22/20/91/607222091.db2.gz UJPFECWWSDZUCY-LLVKDONJSA-N 0 1 387.791 0.033 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1csc(-c2ccccc2)n1 ZINC000823132087 607222495 /nfs/dbraw/zinc/22/24/95/607222495.db2.gz ZBNBCBRUFSAWIN-UHFFFAOYSA-N 0 1 381.425 0.941 20 0 GCADMN COc1ccc(OC(F)F)c(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000821837369 607223044 /nfs/dbraw/zinc/22/30/44/607223044.db2.gz CUWHYMIDVPKNTQ-UHFFFAOYSA-N 0 1 380.315 0.385 20 0 GCADMN C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820760650 607223625 /nfs/dbraw/zinc/22/36/25/607223625.db2.gz RLAXTBDPABRNQT-KBPBESRZSA-N 0 1 395.471 0.731 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCOc1ccc(C(F)(F)F)cn1 ZINC000823131928 607223934 /nfs/dbraw/zinc/22/39/34/607223934.db2.gz RBMRUCRZJZGAMC-UHFFFAOYSA-N 0 1 383.294 0.067 20 0 GCADMN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819946861 607224173 /nfs/dbraw/zinc/22/41/73/607224173.db2.gz UMYRIHLQAQUMCA-CYBMUJFWSA-N 0 1 398.427 0.527 20 0 GCADMN COC(=O)C(C)(C)[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000821637470 607224475 /nfs/dbraw/zinc/22/44/75/607224475.db2.gz HFCOOTGJKUVXGJ-CYBMUJFWSA-N 0 1 384.400 0.515 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000823125709 607224512 /nfs/dbraw/zinc/22/45/12/607224512.db2.gz BSPKHWHKNLDNLD-SNVBAGLBSA-N 0 1 382.306 0.327 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)c1ccccc1C(F)(F)F ZINC000823125710 607224518 /nfs/dbraw/zinc/22/45/18/607224518.db2.gz BTSNQEAOZAGPAL-JTQLQIEISA-N 0 1 382.306 0.327 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000823126997 607224646 /nfs/dbraw/zinc/22/46/46/607224646.db2.gz QDAPJRKPBMUMGO-SNVBAGLBSA-N 0 1 383.199 0.615 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](O)c1c(Cl)cccc1Cl ZINC000823127211 607224738 /nfs/dbraw/zinc/22/47/38/607224738.db2.gz WQVRLFBCPRLOHC-SECBINFHSA-N 0 1 383.199 0.615 20 0 GCADMN CC(C)(C)OC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000819945785 607225557 /nfs/dbraw/zinc/22/55/57/607225557.db2.gz DQJJXMKDFXSUCG-ZDUSSCGKSA-N 0 1 384.400 0.657 20 0 GCADMN C[C@@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825000464 607815889 /nfs/dbraw/zinc/81/58/89/607815889.db2.gz QVGIFKBYHASRQY-HIFRSBDPSA-N 0 1 376.486 0.809 20 0 GCADMN CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](O)COc3ccc(-c4nn[nH]n4)cc3)[C@H]2C1 ZINC000826146559 607859146 /nfs/dbraw/zinc/85/91/46/607859146.db2.gz XRTONFMFFBYLFA-BGTYHANMSA-N 0 1 389.456 0.875 20 0 GCADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)Oc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000826358011 607876351 /nfs/dbraw/zinc/87/63/51/607876351.db2.gz ABUFGHUDGFAFCJ-GFCCVEGCSA-N 0 1 381.352 0.175 20 0 GCADMN C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C2)CC1 ZINC000826022627 607907090 /nfs/dbraw/zinc/90/70/90/607907090.db2.gz POCOKDNBRQINEW-ZDUSSCGKSA-N 0 1 377.474 0.614 20 0 GCADMN C[NH+]1CCC([C@H]2CCN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C2)CC1 ZINC000826022627 607907091 /nfs/dbraw/zinc/90/70/91/607907091.db2.gz POCOKDNBRQINEW-ZDUSSCGKSA-N 0 1 377.474 0.614 20 0 GCADMN CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826068841 607907857 /nfs/dbraw/zinc/90/78/57/607907857.db2.gz ZIMIPWDYJVFZSQ-NSHDSACASA-N 0 1 388.400 0.584 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCOc1cccc(C(F)(F)F)n1 ZINC000826425472 608002754 /nfs/dbraw/zinc/00/27/54/608002754.db2.gz FTTKPNJDMHYRKC-UHFFFAOYSA-N 0 1 383.294 0.067 20 0 GCADMN COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)c(F)c1 ZINC000826103661 608008494 /nfs/dbraw/zinc/00/84/94/608008494.db2.gz JREOJJMIJIIOKX-NSHDSACASA-N 0 1 394.754 0.281 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1-c1nnn[n-]1 ZINC000826077700 608019599 /nfs/dbraw/zinc/01/95/99/608019599.db2.gz RAVHUMWGTAZLNS-BMIGLBTASA-N 0 1 398.427 0.909 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1-c1nn[n-]n1 ZINC000826077700 608019600 /nfs/dbraw/zinc/01/96/00/608019600.db2.gz RAVHUMWGTAZLNS-BMIGLBTASA-N 0 1 398.427 0.909 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(COC)n2)c1-c1nnn[n-]1 ZINC000826083076 608019914 /nfs/dbraw/zinc/01/99/14/608019914.db2.gz HZODLDBYRPZHIJ-UHFFFAOYSA-N 0 1 377.434 0.597 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(COC)n2)c1-c1nn[n-]n1 ZINC000826083076 608019915 /nfs/dbraw/zinc/01/99/15/608019915.db2.gz HZODLDBYRPZHIJ-UHFFFAOYSA-N 0 1 377.434 0.597 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2COc3ccccc3C2)c1-c1nnn[n-]1 ZINC000826077862 608019984 /nfs/dbraw/zinc/01/99/84/608019984.db2.gz YBFKEVDLFMKHQY-GFCCVEGCSA-N 0 1 382.428 0.932 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2COc3ccccc3C2)c1-c1nn[n-]n1 ZINC000826077862 608019985 /nfs/dbraw/zinc/01/99/85/608019985.db2.gz YBFKEVDLFMKHQY-GFCCVEGCSA-N 0 1 382.428 0.932 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(NC(C)=O)n2)c1-c1nnn[n-]1 ZINC000826084302 608019990 /nfs/dbraw/zinc/01/99/90/608019990.db2.gz YHSXSJZHQVKYGK-UHFFFAOYSA-N 0 1 390.433 0.409 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2csc(NC(C)=O)n2)c1-c1nn[n-]n1 ZINC000826084302 608019991 /nfs/dbraw/zinc/01/99/91/608019991.db2.gz YHSXSJZHQVKYGK-UHFFFAOYSA-N 0 1 390.433 0.409 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1-c1nnn[n-]1 ZINC000826073461 608021294 /nfs/dbraw/zinc/02/12/94/608021294.db2.gz SQTZWUVIDXHDBD-VIFPVBQESA-N 0 1 387.404 0.092 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1-c1nn[n-]n1 ZINC000826073461 608021295 /nfs/dbraw/zinc/02/12/95/608021295.db2.gz SQTZWUVIDXHDBD-VIFPVBQESA-N 0 1 387.404 0.092 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1-c1nnn[n-]1 ZINC000826084290 608021478 /nfs/dbraw/zinc/02/14/78/608021478.db2.gz XYZBQNDQHIONMU-UHFFFAOYSA-N 0 1 395.427 0.879 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)CCC(=O)N3)c1-c1nn[n-]n1 ZINC000826084290 608021479 /nfs/dbraw/zinc/02/14/79/608021479.db2.gz XYZBQNDQHIONMU-UHFFFAOYSA-N 0 1 395.427 0.879 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)ncn3C)c1-c1nnn[n-]1 ZINC000826082843 608022219 /nfs/dbraw/zinc/02/22/19/608022219.db2.gz BQHINJCDSWQAHK-UHFFFAOYSA-N 0 1 380.416 0.881 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)ncn3C)c1-c1nn[n-]n1 ZINC000826082843 608022220 /nfs/dbraw/zinc/02/22/20/608022220.db2.gz BQHINJCDSWQAHK-UHFFFAOYSA-N 0 1 380.416 0.881 20 0 GCADMN COc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccn1 ZINC000826218536 608030253 /nfs/dbraw/zinc/03/02/53/608030253.db2.gz FRQOFKVMBOXYSS-INIZCTEOSA-N 0 1 391.395 0.768 20 0 GCADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826432947 608075070 /nfs/dbraw/zinc/07/50/70/608075070.db2.gz QCSLOZRHRVQHLB-RHSMWYFYSA-N 0 1 381.440 0.808 20 0 GCADMN COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000826187709 608087789 /nfs/dbraw/zinc/08/77/89/608087789.db2.gz BZLJIUGWHDJCGR-KSSFIOAISA-N 0 1 398.427 0.366 20 0 GCADMN COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000826187710 608087847 /nfs/dbraw/zinc/08/78/47/608087847.db2.gz BZLJIUGWHDJCGR-RDTXWAMCSA-N 0 1 398.427 0.366 20 0 GCADMN CC(C)c1nc([C@@H](C)NC(=O)NCCNc2ncccc2-c2nn[nH]n2)n[nH]1 ZINC000824358516 608106318 /nfs/dbraw/zinc/10/63/18/608106318.db2.gz MDNYTCYPWNRCGX-SNVBAGLBSA-N 0 1 385.436 0.976 20 0 GCADMN C[C@@H]1OCC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825020479 608114626 /nfs/dbraw/zinc/11/46/26/608114626.db2.gz KDRWROQAUXISOO-JQWIXIFHSA-N 0 1 388.432 0.741 20 0 GCADMN CN1C(=O)CC[C@H]1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826011164 608144752 /nfs/dbraw/zinc/14/47/52/608144752.db2.gz ZMORMBAAIXUSLQ-INIZCTEOSA-N 0 1 383.456 0.522 20 0 GCADMN C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000824737227 608185424 /nfs/dbraw/zinc/18/54/24/608185424.db2.gz DGBNCWUIHPEVMO-MRVPVSSYSA-N 0 1 376.402 0.475 20 0 GCADMN C[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000824756880 608185664 /nfs/dbraw/zinc/18/56/64/608185664.db2.gz RIOAIUGLMPGGEY-QMMMGPOBSA-N 0 1 376.402 0.475 20 0 GCADMN C[C@@H]1[C@H](C)N(C)CCN1C(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1 ZINC000824860808 608202799 /nfs/dbraw/zinc/20/27/99/608202799.db2.gz XXCCOFVWZLYIEL-NWDGAFQWSA-N 0 1 381.444 0.799 20 0 GCADMN O=C(N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@]1(O)CCSC1 ZINC000826425402 608227532 /nfs/dbraw/zinc/22/75/32/608227532.db2.gz BRQRLMYJBUPDPQ-SFHVURJKSA-N 0 1 388.497 0.769 20 0 GCADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2CC(=O)N1CCOC[C@H]1C1CC1 ZINC000826295266 608230674 /nfs/dbraw/zinc/23/06/74/608230674.db2.gz ZNZZUGUEZUUJCU-HNNXBMFYSA-N 0 1 395.423 0.522 20 0 GCADMN CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000826060278 608253698 /nfs/dbraw/zinc/25/36/98/608253698.db2.gz JRXQSCNAHNCMAZ-OIBJUYFYSA-N 0 1 377.430 0.334 20 0 GCADMN C[C@@H](C(N)=O)N(C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000824051986 608268917 /nfs/dbraw/zinc/26/89/17/608268917.db2.gz KBOWXXTWUULIIK-VIFPVBQESA-N 0 1 377.474 0.941 20 0 GCADMN CCOC[C@@H](O)CN1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000825589892 608284157 /nfs/dbraw/zinc/28/41/57/608284157.db2.gz LVYFVTKURRUANO-HNNXBMFYSA-N 0 1 387.488 0.660 20 0 GCADMN CCC[C@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)OC ZINC000825242245 608306397 /nfs/dbraw/zinc/30/63/97/608306397.db2.gz MAZGKGOSTDLDDX-JTQLQIEISA-N 0 1 375.357 0.765 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000824968955 608316105 /nfs/dbraw/zinc/31/61/05/608316105.db2.gz RDOYXBITXBRFFX-UONOGXRCSA-N 0 1 381.444 0.580 20 0 GCADMN C[NH+](C)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000825855830 608342856 /nfs/dbraw/zinc/34/28/56/608342856.db2.gz JSFLNCZZKDDHDD-UHFFFAOYSA-N 0 1 389.464 0.309 20 0 GCADMN C[NH+](C)C1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000825855830 608342858 /nfs/dbraw/zinc/34/28/58/608342858.db2.gz JSFLNCZZKDDHDD-UHFFFAOYSA-N 0 1 389.464 0.309 20 0 GCADMN COC(=O)[C@H](CC(F)F)NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826104232 608342852 /nfs/dbraw/zinc/34/28/52/608342852.db2.gz SEQAFSJDQVTEIY-JTQLQIEISA-N 0 1 393.347 0.622 20 0 GCADMN CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825460424 608353257 /nfs/dbraw/zinc/35/32/57/608353257.db2.gz WUGZUZKIAHGUTB-LLVKDONJSA-N 0 1 389.464 0.357 20 0 GCADMN CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825460424 608353259 /nfs/dbraw/zinc/35/32/59/608353259.db2.gz WUGZUZKIAHGUTB-LLVKDONJSA-N 0 1 389.464 0.357 20 0 GCADMN CC[N@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)C ZINC000825425011 608353316 /nfs/dbraw/zinc/35/33/16/608353316.db2.gz XFLCAWKEFYELIF-UHFFFAOYSA-N 0 1 391.480 0.603 20 0 GCADMN CC[N@@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C(C)C ZINC000825425011 608353318 /nfs/dbraw/zinc/35/33/18/608353318.db2.gz XFLCAWKEFYELIF-UHFFFAOYSA-N 0 1 391.480 0.603 20 0 GCADMN CC[N@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)C ZINC000825425011 608353320 /nfs/dbraw/zinc/35/33/20/608353320.db2.gz XFLCAWKEFYELIF-UHFFFAOYSA-N 0 1 391.480 0.603 20 0 GCADMN CC[N@@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C(C)C ZINC000825425011 608353322 /nfs/dbraw/zinc/35/33/22/608353322.db2.gz XFLCAWKEFYELIF-UHFFFAOYSA-N 0 1 391.480 0.603 20 0 GCADMN CCCC[N@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825281702 608353328 /nfs/dbraw/zinc/35/33/28/608353328.db2.gz JFPNKZPRUPQTII-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825281702 608353331 /nfs/dbraw/zinc/35/33/31/608353331.db2.gz JFPNKZPRUPQTII-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN CCCC[N@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825281702 608353333 /nfs/dbraw/zinc/35/33/33/608353333.db2.gz JFPNKZPRUPQTII-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825281702 608353335 /nfs/dbraw/zinc/35/33/35/608353335.db2.gz JFPNKZPRUPQTII-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000825849619 608353850 /nfs/dbraw/zinc/35/38/50/608353850.db2.gz LGUIJFXJTJJLKJ-GFCCVEGCSA-N 0 1 389.464 0.213 20 0 GCADMN C[NH+](C)[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CC1 ZINC000825849619 608353852 /nfs/dbraw/zinc/35/38/52/608353852.db2.gz LGUIJFXJTJJLKJ-GFCCVEGCSA-N 0 1 389.464 0.213 20 0 GCADMN CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825444415 608356727 /nfs/dbraw/zinc/35/67/27/608356727.db2.gz MTLVJNBKWGXWOT-ZYHUDNBSSA-N 0 1 389.464 0.213 20 0 GCADMN CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825444415 608356728 /nfs/dbraw/zinc/35/67/28/608356728.db2.gz MTLVJNBKWGXWOT-ZYHUDNBSSA-N 0 1 389.464 0.213 20 0 GCADMN CNC(=O)c1cccnc1N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826073162 608365399 /nfs/dbraw/zinc/36/53/99/608365399.db2.gz HEDCFMVZWNQZER-UHFFFAOYSA-N 0 1 395.427 0.813 20 0 GCADMN CCC[C@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825254162 608375808 /nfs/dbraw/zinc/37/58/08/608375808.db2.gz QRYJYIIAHMFMNM-DLBZAZTESA-N 0 1 387.488 0.826 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000826424905 608386034 /nfs/dbraw/zinc/38/60/34/608386034.db2.gz HXRYHUDWZGEBQN-INIZCTEOSA-N 0 1 388.819 0.318 20 0 GCADMN CCN1CCOC[C@H]1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825466361 608386883 /nfs/dbraw/zinc/38/68/83/608386883.db2.gz ZXOXBOITWWTBQZ-SFHVURJKSA-N 0 1 399.499 0.622 20 0 GCADMN C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825856108 608403003 /nfs/dbraw/zinc/40/30/03/608403003.db2.gz OAJVOTRLJVGAKY-UHFFFAOYSA-N 0 1 387.492 0.577 20 0 GCADMN C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825856108 608403005 /nfs/dbraw/zinc/40/30/05/608403005.db2.gz OAJVOTRLJVGAKY-UHFFFAOYSA-N 0 1 387.492 0.577 20 0 GCADMN NC(=O)c1[nH]nc2ccc(NS(=O)(=O)c3ccccc3-c3nn[nH]n3)cc21 ZINC000826393703 608416125 /nfs/dbraw/zinc/41/61/25/608416125.db2.gz FRTMKQPTXYZKTP-UHFFFAOYSA-N 0 1 384.381 0.643 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C[C@H]1N(C)C ZINC000826227950 608443431 /nfs/dbraw/zinc/44/34/31/608443431.db2.gz ZWPPWDCHLAPZJP-VXGBXAGGSA-N 0 1 386.478 0.672 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C[C@H]1N(C)C ZINC000826227420 608443646 /nfs/dbraw/zinc/44/36/46/608443646.db2.gz QWBRDSGXRUATAV-NEPJUHHUSA-N 0 1 386.478 0.672 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000826425292 608469806 /nfs/dbraw/zinc/46/98/06/608469806.db2.gz XERYIYMTJNTFEN-UHFFFAOYSA-N 0 1 380.368 0.986 20 0 GCADMN CCN(CC)CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000825412104 608472269 /nfs/dbraw/zinc/47/22/69/608472269.db2.gz KEQAPZDTGVIJBL-GFCCVEGCSA-N 0 1 395.489 0.166 20 0 GCADMN Cn1cc(S(=O)(=O)NCCNC2(c3cccc(-c4nn[nH]n4)c3)CC2)cn1 ZINC000826362299 608530925 /nfs/dbraw/zinc/53/09/25/608530925.db2.gz MJBHSYNHXCAEDX-UHFFFAOYSA-N 0 1 388.457 0.157 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCCC[NH+]1CCCC1 ZINC000825923594 608559203 /nfs/dbraw/zinc/55/92/03/608559203.db2.gz NRCMKBMXJMMXOA-UHFFFAOYSA-N 0 1 375.481 0.829 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCCC[NH+]1CCCC1 ZINC000825923594 608559206 /nfs/dbraw/zinc/55/92/06/608559206.db2.gz NRCMKBMXJMMXOA-UHFFFAOYSA-N 0 1 375.481 0.829 20 0 GCADMN CC(C)OCCOC[C@@H](O)CN(C)Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000824314812 608629649 /nfs/dbraw/zinc/62/96/49/608629649.db2.gz HHMCGFXDQLDFBF-INIZCTEOSA-N 0 1 389.460 0.749 20 0 GCADMN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C)CC1 ZINC000823980515 608746780 /nfs/dbraw/zinc/74/67/80/608746780.db2.gz DTNDSELOZMGQSF-SWLSCSKDSA-N 0 1 375.502 0.913 20 0 GCADMN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C)CC1 ZINC000823980515 608746783 /nfs/dbraw/zinc/74/67/83/608746783.db2.gz DTNDSELOZMGQSF-SWLSCSKDSA-N 0 1 375.502 0.913 20 0 GCADMN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)CC1 ZINC000823980515 608746786 /nfs/dbraw/zinc/74/67/86/608746786.db2.gz DTNDSELOZMGQSF-SWLSCSKDSA-N 0 1 375.502 0.913 20 0 GCADMN CC(=O)N1CCN([C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)CC1 ZINC000823980515 608746789 /nfs/dbraw/zinc/74/67/89/608746789.db2.gz DTNDSELOZMGQSF-SWLSCSKDSA-N 0 1 375.502 0.913 20 0 GCADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000826358487 608821683 /nfs/dbraw/zinc/82/16/83/608821683.db2.gz WFIMNHGRWOAZLK-LBPRGKRZSA-N 0 1 380.368 0.208 20 0 GCADMN C[C@@H](O)[C@@H]1CCN(CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000824686327 609145944 /nfs/dbraw/zinc/14/59/44/609145944.db2.gz BNIWQFBQZUPMKM-CHWSQXEVSA-N 0 1 382.428 0.694 20 0 GCADMN C[C@H](O)[C@H]1CCN(CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)C1 ZINC000824686334 609146318 /nfs/dbraw/zinc/14/63/18/609146318.db2.gz BNIWQFBQZUPMKM-STQMWFEESA-N 0 1 382.428 0.694 20 0 GCADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826437415 609193088 /nfs/dbraw/zinc/19/30/88/609193088.db2.gz KLXGONVKUAVPHG-UHFFFAOYSA-N 0 1 380.456 0.742 20 0 GCADMN C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O)c1nnc[nH]1 ZINC000824499945 609205369 /nfs/dbraw/zinc/20/53/69/609205369.db2.gz SZTYAPGFCDSMKT-GXFFZTMASA-N 0 1 396.415 0.541 20 0 GCADMN COc1ccc([C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C(F)(F)F)cc1 ZINC000826188832 609266806 /nfs/dbraw/zinc/26/68/06/609266806.db2.gz IDHBLUUCPWZYBF-NSHDSACASA-N 0 1 382.306 0.887 20 0 GCADMN CC(C)[NH+]1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000824296611 609298335 /nfs/dbraw/zinc/29/83/35/609298335.db2.gz JMNSRVWLWJOGOZ-UHFFFAOYSA-N 0 1 390.496 0.619 20 0 GCADMN CC(C)[NH+]1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000824296611 609298337 /nfs/dbraw/zinc/29/83/37/609298337.db2.gz JMNSRVWLWJOGOZ-UHFFFAOYSA-N 0 1 390.496 0.619 20 0 GCADMN C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824414163 609298534 /nfs/dbraw/zinc/29/85/34/609298534.db2.gz 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ZINC000983333101 1194923267 /nfs/dbraw/zinc/92/32/67/1194923267.db2.gz RRVTUIWROXVQLO-GBOPCIDUSA-N 0 1 380.445 0.144 20 0 GCADMN COc1cc(CN(C)CC(=O)N2CCNCC2)cc(Cl)c1OCC(N)=O ZINC000435377636 1194924331 /nfs/dbraw/zinc/92/43/31/1194924331.db2.gz DTGSJRQLVGKKLS-UHFFFAOYSA-N 0 1 384.864 0.076 20 0 GCADMN C[C@H](CO[C@@H]1CCOC1)NC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000283624655 1194927102 /nfs/dbraw/zinc/92/71/02/1194927102.db2.gz XROTZHJJVOOSIL-KBAYOESNSA-N 0 1 375.469 0.687 20 0 GCADMN C[C@@H]1CN(C2CCN(C(=O)C(=O)N3CCC[C@H](n4ccnn4)C3)CC2)CCO1 ZINC000425377855 1194929293 /nfs/dbraw/zinc/92/92/93/1194929293.db2.gz AXTLATDOCOZJSA-WBVHZDCISA-N 0 1 390.488 0.153 20 0 GCADMN CCN1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccnc(SC)c3)C2)CC1 ZINC000514966842 1194931819 /nfs/dbraw/zinc/93/18/19/1194931819.db2.gz RYIOOQZOAPHSSS-INIZCTEOSA-N 0 1 391.541 0.658 20 0 GCADMN C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387788 1194935886 /nfs/dbraw/zinc/93/58/86/1194935886.db2.gz NTCFSSVTQJSBMJ-XCDZQEORSA-N 0 1 392.544 0.639 20 0 GCADMN CCCCN(CCOC)C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000283937564 1194938047 /nfs/dbraw/zinc/93/80/47/1194938047.db2.gz FUNFURAKFKOATE-UHFFFAOYSA-N 0 1 391.516 0.725 20 0 GCADMN C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCCN(Cc4cscn4)CC3)[C@@H]2C1 ZINC000425391697 1194940647 /nfs/dbraw/zinc/94/06/47/1194940647.db2.gz SEFUMTSRXFCWCV-DOTOQJQBSA-N 0 1 391.541 0.730 20 0 GCADMN CSCCC(=O)N1CCN(CCn2ccnc2)C[C@]2(CCCC(=O)N2)C1 ZINC001269975500 1194940848 /nfs/dbraw/zinc/94/08/48/1194940848.db2.gz UUPZBSSQSNVODS-GOSISDBHSA-N 0 1 379.530 0.819 20 0 GCADMN Cc1cccc2nc(CNC(=O)N3CCC[C@@H](C(=O)N4CCNCC4)C3)cn21 ZINC000515047810 1194943434 /nfs/dbraw/zinc/94/34/34/1194943434.db2.gz WXLSUUYAPKTGNO-MRXNPFEDSA-N 0 1 384.484 0.996 20 0 GCADMN O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC(Cn2ccnn2)CC1 ZINC000366629956 1194946025 /nfs/dbraw/zinc/94/60/25/1194946025.db2.gz DNQQVVWAVRQOLB-GOSISDBHSA-N 0 1 391.520 0.106 20 0 GCADMN O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)N1CCC(Cn2ccnn2)CC1 ZINC000366629956 1194946026 /nfs/dbraw/zinc/94/60/26/1194946026.db2.gz DNQQVVWAVRQOLB-GOSISDBHSA-N 0 1 391.520 0.106 20 0 GCADMN C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[N@H+]1CCCC[C@H]1C ZINC000515099499 1194946339 /nfs/dbraw/zinc/94/63/39/1194946339.db2.gz IKXYKXAWLKGAAP-VXGBXAGGSA-N 0 1 380.470 0.758 20 0 GCADMN C[C@H](CNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)N1CCCC[C@H]1C ZINC000515099499 1194946341 /nfs/dbraw/zinc/94/63/41/1194946341.db2.gz IKXYKXAWLKGAAP-VXGBXAGGSA-N 0 1 380.470 0.758 20 0 GCADMN CCOc1ccc(NC(=O)CN2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)cc1OCC ZINC000435632643 1194947714 /nfs/dbraw/zinc/94/77/14/1194947714.db2.gz QOXUXIBRERNOPP-LSDHHAIUSA-N 0 1 395.456 0.484 20 0 GCADMN COc1ccc(Cl)cc1CNC(=O)CN1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435633637 1194947791 /nfs/dbraw/zinc/94/77/91/1194947791.db2.gz AGKJNYSXNGGTKK-ZIAGYGMSSA-N 0 1 385.848 0.026 20 0 GCADMN CN(CCOc1ccc(Cl)cc1)C(=O)CN1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435633195 1194948511 /nfs/dbraw/zinc/94/85/11/1194948511.db2.gz WXFKTCFDWHIEIJ-HZPDHXFCSA-N 0 1 399.875 0.239 20 0 GCADMN Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)c1C ZINC000435638235 1194948795 /nfs/dbraw/zinc/94/87/95/1194948795.db2.gz UBADANRYIIHHIT-HUUCEWRRSA-N 0 1 378.429 0.013 20 0 GCADMN CC(C)C[C@@H](NC(=O)CN1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1)c1ccccc1 ZINC000435641124 1194949344 /nfs/dbraw/zinc/94/93/44/1194949344.db2.gz GZOXNOYHPHFPOT-FGTMMUONSA-N 0 1 377.485 0.952 20 0 GCADMN Cc1ccc([C@@H](NC(=O)CN2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)C2CC2)cc1 ZINC000435642580 1194949367 /nfs/dbraw/zinc/94/93/67/1194949367.db2.gz WHNUELXHLCYVNP-MBOZVWFJSA-N 0 1 375.469 0.624 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)NCCCSc2ccccc2)C[C@H]1O ZINC000435641130 1194949395 /nfs/dbraw/zinc/94/93/95/1194949395.db2.gz GZRSKCTWVRJVLR-HZPDHXFCSA-N 0 1 381.498 0.347 20 0 GCADMN Cc1ccc([C@H](NC(=O)CN2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)C2CC2)cc1 ZINC000435642581 1194949600 /nfs/dbraw/zinc/94/96/00/1194949600.db2.gz WHNUELXHLCYVNP-QKLQHJQFSA-N 0 1 375.469 0.624 20 0 GCADMN Cc1ccc([C@@H](NC(=O)CN2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)C2CC2)cc1 ZINC000435642582 1194949697 /nfs/dbraw/zinc/94/96/97/1194949697.db2.gz WHNUELXHLCYVNP-SQGPQFPESA-N 0 1 375.469 0.624 20 0 GCADMN COc1ccc(CN(C(=O)CN2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)C2CC2)cc1 ZINC000435630557 1194950523 /nfs/dbraw/zinc/95/05/23/1194950523.db2.gz XSPBEWRBNRDTHW-QZTJIDSGSA-N 0 1 391.468 0.248 20 0 GCADMN COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435655584 1194950860 /nfs/dbraw/zinc/95/08/60/1194950860.db2.gz OHEOXMJEFXETPT-UONOGXRCSA-N 0 1 385.848 0.739 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(CC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1O ZINC000435632869 1194950939 /nfs/dbraw/zinc/95/09/39/1194950939.db2.gz TYRGHNJCPURQFA-QWHCGFSZSA-N 0 1 375.347 0.705 20 0 GCADMN COc1ccc(Cl)cc1NC(=O)CCN1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435655585 1194951111 /nfs/dbraw/zinc/95/11/11/1194951111.db2.gz OHEOXMJEFXETPT-ZIAGYGMSSA-N 0 1 385.848 0.739 20 0 GCADMN COc1ccc([C@H](NC(=O)CN2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)C(C)C)cc1 ZINC000435660395 1194951627 /nfs/dbraw/zinc/95/16/27/1194951627.db2.gz VIJAKQLZPZSSSG-SQGPQFPESA-N 0 1 393.484 0.570 20 0 GCADMN C[C@@H](CN1CCC(C)CC1)NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000515171035 1194952054 /nfs/dbraw/zinc/95/20/54/1194952054.db2.gz DFEAPKFVIYUMQF-LBPRGKRZSA-N 0 1 380.470 0.615 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C[C@H]1O ZINC000435650104 1194952347 /nfs/dbraw/zinc/95/23/47/1194952347.db2.gz COEREVNFEANKLL-IAGOWNOFSA-N 0 1 377.485 0.875 20 0 GCADMN CCOc1ccccc1[C@H](CC)NC(=O)CN1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435655070 1194952711 /nfs/dbraw/zinc/95/27/11/1194952711.db2.gz MKGCBMRMIXACDK-YESZJQIVSA-N 0 1 393.484 0.714 20 0 GCADMN CCN(C(=O)CN1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1)[C@@H](C)c1ccc(F)cc1 ZINC000435655973 1194952744 /nfs/dbraw/zinc/95/27/44/1194952744.db2.gz PCUABIFAUUCXMM-IAOVAPTHSA-N 0 1 381.448 0.797 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)COc2cccc(NC(=O)C3CC3)c2)C[C@H]1O ZINC000435711051 1194954859 /nfs/dbraw/zinc/95/48/59/1194954859.db2.gz YCSUCVPZFKVVEC-HZPDHXFCSA-N 0 1 391.424 0.002 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)c(C)n1Cc1ccccn1 ZINC000435710771 1194954876 /nfs/dbraw/zinc/95/48/76/1194954876.db2.gz LPAHMTSQZPVLDQ-ZWKOTPCHSA-N 0 1 386.452 0.750 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)C[C@H]1O ZINC000435696407 1194956423 /nfs/dbraw/zinc/95/64/23/1194956423.db2.gz JLPFZWYFODWLCR-IGQOVBAYSA-N 0 1 384.379 0.980 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)CCSc2ccc3c(c2)OCCO3)C[C@H]1O ZINC000435697971 1194956442 /nfs/dbraw/zinc/95/64/42/1194956442.db2.gz PFKGZUBBSMRGFI-ZIAGYGMSSA-N 0 1 396.465 0.528 20 0 GCADMN CSCc1nc2ccccc2n1CC(=O)N1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435700461 1194956921 /nfs/dbraw/zinc/95/69/21/1194956921.db2.gz HUMKLYHZUXIZJH-LSDHHAIUSA-N 0 1 392.481 0.487 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2cnc3onc(C(C)(C)C)c3c2)C[C@H]1O ZINC000435700964 1194956974 /nfs/dbraw/zinc/95/69/74/1194956974.db2.gz MFQOBPSOLXPLHN-CHWSQXEVSA-N 0 1 376.413 0.722 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)C[C@H]1O ZINC000435699566 1194957067 /nfs/dbraw/zinc/95/70/67/1194957067.db2.gz YPXUHOXDQYLLQU-ZWKOTPCHSA-N 0 1 385.420 0.862 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)C[C@H]1O ZINC000435703368 1194957409 /nfs/dbraw/zinc/95/74/09/1194957409.db2.gz AQRFXXGCWLDION-GBJTYRQASA-N 0 1 376.409 0.149 20 0 GCADMN CC(=O)c1ccc(SCC(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)cc1F ZINC000435703776 1194957753 /nfs/dbraw/zinc/95/77/53/1194957753.db2.gz FEQJMLJVAOSGEU-HUUCEWRRSA-N 0 1 384.429 0.709 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C[C@H]1O ZINC000435701825 1194957761 /nfs/dbraw/zinc/95/77/61/1194957761.db2.gz URWOHQXHVPMONC-LSDHHAIUSA-N 0 1 385.424 0.551 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)CCCc2nc(-c3cccs3)no2)C[C@H]1O ZINC000435707123 1194957873 /nfs/dbraw/zinc/95/78/73/1194957873.db2.gz VJYVXCMVVYZOKS-NWDGAFQWSA-N 0 1 394.453 0.709 20 0 GCADMN CC(C)n1nc(C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)c2ccccc2c1=O ZINC000435705382 1194957991 /nfs/dbraw/zinc/95/79/91/1194957991.db2.gz JTKCYOQPGBLQIM-LSDHHAIUSA-N 0 1 388.424 0.179 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)C[C@H]1O ZINC000435708106 1194958486 /nfs/dbraw/zinc/95/84/86/1194958486.db2.gz WCHULFMMRXOFFL-XHSDSOJGSA-N 0 1 391.424 0.006 20 0 GCADMN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000435708746 1194958565 /nfs/dbraw/zinc/95/85/65/1194958565.db2.gz AJDDWVBKBLCIKW-RAEVTNRLSA-N 0 1 375.425 0.483 20 0 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ZINC001571262992 945448063 /nfs/dbraw/zinc/44/80/63/945448063.db2.gz DZPMZDCLRHYMBX-UHFFFAOYSA-N 0 1 385.457 0.254 20 0 GCADMN Cc1cc(NCC2CCN(C(=O)c3cnns3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263057 945449663 /nfs/dbraw/zinc/44/96/63/945449663.db2.gz GSFFAMDGEOUQFB-UHFFFAOYSA-N 0 1 385.457 0.808 20 0 GCADMN Cc1cc(N[C@H](C)[C@@H]2CCN(C(=O)c3cnns3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263169 945451415 /nfs/dbraw/zinc/45/14/15/945451415.db2.gz JJRJIVAYUTYJRJ-GHMZBOCLSA-N 0 1 385.457 0.806 20 0 GCADMN Nc1nccnc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571263314 945455322 /nfs/dbraw/zinc/45/53/22/945455322.db2.gz MRLNIPYRLSWRFB-JTQLQIEISA-N 0 1 385.457 0.552 20 0 GCADMN Nc1nccnc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571263314 945455327 /nfs/dbraw/zinc/45/53/27/945455327.db2.gz MRLNIPYRLSWRFB-JTQLQIEISA-N 0 1 385.457 0.552 20 0 GCADMN Nc1nccnc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571263314 945455333 /nfs/dbraw/zinc/45/53/33/945455333.db2.gz MRLNIPYRLSWRFB-JTQLQIEISA-N 0 1 385.457 0.552 20 0 GCADMN Nc1nccnc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571263314 945455336 /nfs/dbraw/zinc/45/53/36/945455336.db2.gz MRLNIPYRLSWRFB-JTQLQIEISA-N 0 1 385.457 0.552 20 0 GCADMN Cc1cc(NC[C@@H]2CC[C@H](NC(=O)c3csnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263299 945456333 /nfs/dbraw/zinc/45/63/33/945456333.db2.gz MHXZBSARHWVQRD-MNOVXSKESA-N 0 1 385.457 0.854 20 0 GCADMN Cc1ncc(C(=O)N2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C(C)(C)C2)s1 ZINC001571263489 945459071 /nfs/dbraw/zinc/45/90/71/945459071.db2.gz RINZOEMNADYXQA-LLVKDONJSA-N 0 1 385.457 0.806 20 0 GCADMN Cc1cc(NC[C@@H]2CCCCN2C(=O)c2csnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263447 945460077 /nfs/dbraw/zinc/46/00/77/945460077.db2.gz QJILGGAGIDRCDE-NSHDSACASA-N 0 1 385.457 0.950 20 0 GCADMN Cc1nc(C)c(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)s1 ZINC001571263538 945461149 /nfs/dbraw/zinc/46/11/49/945461149.db2.gz SOPNUYDVCAPMQF-KCJUWKMLSA-N 0 1 385.457 0.867 20 0 GCADMN Cc1nc(C)c(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)s1 ZINC001571263539 945461484 /nfs/dbraw/zinc/46/14/84/945461484.db2.gz SOPNUYDVCAPMQF-KWQFWETISA-N 0 1 385.457 0.867 20 0 GCADMN O=C(N[C@@H]1C[C@@H](NCc2cnns2)C12CCC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571263541 945461817 /nfs/dbraw/zinc/46/18/17/945461817.db2.gz SPUCLFPTZQRWAJ-CHWSQXEVSA-N 0 1 385.457 0.877 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571265102 945499796 /nfs/dbraw/zinc/49/97/96/945499796.db2.gz CJHQFOCKIKWGCC-MGPQQGTHSA-N 0 1 385.476 0.790 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571265102 945499802 /nfs/dbraw/zinc/49/98/02/945499802.db2.gz CJHQFOCKIKWGCC-MGPQQGTHSA-N 0 1 385.476 0.790 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571265102 945499807 /nfs/dbraw/zinc/49/98/07/945499807.db2.gz CJHQFOCKIKWGCC-MGPQQGTHSA-N 0 1 385.476 0.790 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571265102 945499813 /nfs/dbraw/zinc/49/98/13/945499813.db2.gz CJHQFOCKIKWGCC-MGPQQGTHSA-N 0 1 385.476 0.790 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265043 945500303 /nfs/dbraw/zinc/50/03/03/945500303.db2.gz CVRIERSMEOIGMJ-AWEZNQCLSA-N 0 1 385.476 0.936 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571265043 945500309 /nfs/dbraw/zinc/50/03/09/945500309.db2.gz CVRIERSMEOIGMJ-AWEZNQCLSA-N 0 1 385.476 0.936 20 0 GCADMN C[NH+]1CCC(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571265040 945500437 /nfs/dbraw/zinc/50/04/37/945500437.db2.gz BEPIFCBJIGMIHZ-SFHVURJKSA-N 0 1 385.476 0.649 20 0 GCADMN C[NH+]1CCC(C(=O)N2CC[C@@](C)(CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571265040 945500443 /nfs/dbraw/zinc/50/04/43/945500443.db2.gz BEPIFCBJIGMIHZ-SFHVURJKSA-N 0 1 385.476 0.649 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC001571265161 945501753 /nfs/dbraw/zinc/50/17/53/945501753.db2.gz FIKPBROQHDKEFN-AWEZNQCLSA-N 0 1 385.476 0.710 20 0 GCADMN C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265170 945502715 /nfs/dbraw/zinc/50/27/15/945502715.db2.gz FQIQZSWCRORBEX-AWEZNQCLSA-N 0 1 385.476 0.570 20 0 GCADMN C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265170 945502717 /nfs/dbraw/zinc/50/27/17/945502717.db2.gz FQIQZSWCRORBEX-AWEZNQCLSA-N 0 1 385.476 0.570 20 0 GCADMN C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265170 945502721 /nfs/dbraw/zinc/50/27/21/945502721.db2.gz FQIQZSWCRORBEX-AWEZNQCLSA-N 0 1 385.476 0.570 20 0 GCADMN C[N@H+]1CCC[C@H]1CCC(=O)N1CCCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265170 945502727 /nfs/dbraw/zinc/50/27/27/945502727.db2.gz FQIQZSWCRORBEX-AWEZNQCLSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001571265230 945503372 /nfs/dbraw/zinc/50/33/72/945503372.db2.gz DAKRSVGRUZQVOA-KBPBESRZSA-N 0 1 385.476 0.213 20 0 GCADMN CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265226 945504834 /nfs/dbraw/zinc/50/48/34/945504834.db2.gz CVGNNUHOWSEHDN-CYBMUJFWSA-N 0 1 385.476 0.568 20 0 GCADMN CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265227 945505067 /nfs/dbraw/zinc/50/50/67/945505067.db2.gz CVGNNUHOWSEHDN-ZDUSSCGKSA-N 0 1 385.476 0.568 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccnc(-c2nnn[n-]2)n1 ZINC001571265294 945507655 /nfs/dbraw/zinc/50/76/55/945507655.db2.gz GAWWKCQKRZLAGW-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571265294 945507667 /nfs/dbraw/zinc/50/76/67/945507667.db2.gz GAWWKCQKRZLAGW-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571265294 945507671 /nfs/dbraw/zinc/50/76/71/945507671.db2.gz GAWWKCQKRZLAGW-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571265378 945509285 /nfs/dbraw/zinc/50/92/85/945509285.db2.gz ISTKLNQDXDEQDG-WFASDCNBSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571265378 945509289 /nfs/dbraw/zinc/50/92/89/945509289.db2.gz ISTKLNQDXDEQDG-WFASDCNBSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265473 945511000 /nfs/dbraw/zinc/51/10/00/945511000.db2.gz GZNIMODCTCTARH-JXQTWKCFSA-N 0 1 385.476 0.353 20 0 GCADMN C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571265501 945512067 /nfs/dbraw/zinc/51/20/67/945512067.db2.gz KZTHJEGJIKVFBC-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571265501 945512075 /nfs/dbraw/zinc/51/20/75/945512075.db2.gz KZTHJEGJIKVFBC-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265512 945512144 /nfs/dbraw/zinc/51/21/44/945512144.db2.gz HNWPFTOSAQKHGC-KBPBESRZSA-N 0 1 385.476 0.354 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571265526 945513233 /nfs/dbraw/zinc/51/32/33/945513233.db2.gz HSSJIZFFRQLOCC-CHWSQXEVSA-N 0 1 385.476 0.574 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571265526 945513242 /nfs/dbraw/zinc/51/32/42/945513242.db2.gz HSSJIZFFRQLOCC-CHWSQXEVSA-N 0 1 385.476 0.574 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265535 945514280 /nfs/dbraw/zinc/51/42/80/945514280.db2.gz HWLRKVSGFJXKHW-AAVRWANBSA-N 0 1 385.476 0.836 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265535 945514295 /nfs/dbraw/zinc/51/42/95/945514295.db2.gz HWLRKVSGFJXKHW-AAVRWANBSA-N 0 1 385.476 0.836 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001571265713 945518036 /nfs/dbraw/zinc/51/80/36/945518036.db2.gz IXJAWGSTZBOFCO-UKRRQHHQSA-N 0 1 385.476 0.568 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001571265713 945518045 /nfs/dbraw/zinc/51/80/45/945518045.db2.gz IXJAWGSTZBOFCO-UKRRQHHQSA-N 0 1 385.476 0.568 20 0 GCADMN CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265710 945518477 /nfs/dbraw/zinc/51/84/77/945518477.db2.gz IVBNRAWBDMADAY-MGPQQGTHSA-N 0 1 385.476 0.424 20 0 GCADMN CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265710 945518480 /nfs/dbraw/zinc/51/84/80/945518480.db2.gz IVBNRAWBDMADAY-MGPQQGTHSA-N 0 1 385.476 0.424 20 0 GCADMN CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265710 945518487 /nfs/dbraw/zinc/51/84/87/945518487.db2.gz IVBNRAWBDMADAY-MGPQQGTHSA-N 0 1 385.476 0.424 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571265736 945518560 /nfs/dbraw/zinc/51/85/60/945518560.db2.gz JHFPCNBMXRNRFG-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN O=C(c1cncc(Cl)c1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571265818 945521652 /nfs/dbraw/zinc/52/16/52/945521652.db2.gz PPWBKSTWQODUPO-LBPRGKRZSA-N 0 1 385.819 0.844 20 0 GCADMN C[NH+]1CCC(CC(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571265762 945522284 /nfs/dbraw/zinc/52/22/84/945522284.db2.gz JSFUQTZSYULXNL-CQSZACIVSA-N 0 1 385.476 0.213 20 0 GCADMN C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571265865 945523198 /nfs/dbraw/zinc/52/31/98/945523198.db2.gz QUJUVNXGKJVMER-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571265865 945523215 /nfs/dbraw/zinc/52/32/15/945523215.db2.gz QUJUVNXGKJVMER-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571265865 945523229 /nfs/dbraw/zinc/52/32/29/945523229.db2.gz QUJUVNXGKJVMER-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571265865 945523243 /nfs/dbraw/zinc/52/32/43/945523243.db2.gz QUJUVNXGKJVMER-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1Cl ZINC001571265890 945523682 /nfs/dbraw/zinc/52/36/82/945523682.db2.gz RVFXYXNYNCYWQH-MGCOHNPYSA-N 0 1 385.819 0.748 20 0 GCADMN CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)[NH+](C)C ZINC001571265909 945525087 /nfs/dbraw/zinc/52/50/87/945525087.db2.gz KRZGKAPLUXPIDV-RBSFLKMASA-N 0 1 385.476 0.567 20 0 GCADMN CCc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)cc(-c2nn[n-]n2)n1 ZINC001571265977 945526507 /nfs/dbraw/zinc/52/65/07/945526507.db2.gz MDOSTMGFMQLYJT-TZMCWYRMSA-N 0 1 385.476 0.716 20 0 GCADMN CCc1nc(NC[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc(-c2nn[n-]n2)n1 ZINC001571265977 945526509 /nfs/dbraw/zinc/52/65/09/945526509.db2.gz MDOSTMGFMQLYJT-TZMCWYRMSA-N 0 1 385.476 0.716 20 0 GCADMN C[NH+]1CCC(C(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571265985 945526931 /nfs/dbraw/zinc/52/69/31/945526931.db2.gz MGSXWDTXXJUMGH-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[NH+]1CCC(C(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571265985 945526935 /nfs/dbraw/zinc/52/69/35/945526935.db2.gz MGSXWDTXXJUMGH-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265986 945527196 /nfs/dbraw/zinc/52/71/96/945527196.db2.gz MIJHVVGDMQVITI-MCIONIFRSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265986 945527201 /nfs/dbraw/zinc/52/72/01/945527201.db2.gz MIJHVVGDMQVITI-MCIONIFRSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265986 945527207 /nfs/dbraw/zinc/52/72/07/945527207.db2.gz MIJHVVGDMQVITI-MCIONIFRSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265986 945527213 /nfs/dbraw/zinc/52/72/13/945527213.db2.gz MIJHVVGDMQVITI-MCIONIFRSA-N 0 1 385.476 0.838 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001571266059 945528343 /nfs/dbraw/zinc/52/83/43/945528343.db2.gz VFUARMIEHNDRFE-CQSZACIVSA-N 0 1 385.476 0.936 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001571266059 945528344 /nfs/dbraw/zinc/52/83/44/945528344.db2.gz VFUARMIEHNDRFE-CQSZACIVSA-N 0 1 385.476 0.936 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC001571266127 945530661 /nfs/dbraw/zinc/53/06/61/945530661.db2.gz WXDNYUPYPMXJJN-UHFFFAOYSA-N 0 1 385.476 0.711 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571266200 945533124 /nfs/dbraw/zinc/53/31/24/945533124.db2.gz NMOUFZJCFLZNGI-HIFRSBDPSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571266200 945533137 /nfs/dbraw/zinc/53/31/37/945533137.db2.gz NMOUFZJCFLZNGI-HIFRSBDPSA-N 0 1 385.476 0.934 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266286 945536999 /nfs/dbraw/zinc/53/69/99/945536999.db2.gz YXQCOZGMSZVXLP-KBPBESRZSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266286 945537004 /nfs/dbraw/zinc/53/70/04/945537004.db2.gz YXQCOZGMSZVXLP-KBPBESRZSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266286 945537007 /nfs/dbraw/zinc/53/70/07/945537007.db2.gz YXQCOZGMSZVXLP-KBPBESRZSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266286 945537012 /nfs/dbraw/zinc/53/70/12/945537012.db2.gz YXQCOZGMSZVXLP-KBPBESRZSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266324 945538535 /nfs/dbraw/zinc/53/85/35/945538535.db2.gz ZKDNHKZJDPGTGF-KGLIPLIRSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266324 945538540 /nfs/dbraw/zinc/53/85/40/945538540.db2.gz ZKDNHKZJDPGTGF-KGLIPLIRSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266324 945538546 /nfs/dbraw/zinc/53/85/46/945538546.db2.gz ZKDNHKZJDPGTGF-KGLIPLIRSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266324 945538548 /nfs/dbraw/zinc/53/85/48/945538548.db2.gz ZKDNHKZJDPGTGF-KGLIPLIRSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001571266334 945540102 /nfs/dbraw/zinc/54/01/02/945540102.db2.gz ZPQMAGUMYGCIIS-AAVRWANBSA-N 0 1 385.476 0.612 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001571266334 945540109 /nfs/dbraw/zinc/54/01/09/945540109.db2.gz ZPQMAGUMYGCIIS-AAVRWANBSA-N 0 1 385.476 0.612 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001571266334 945540116 /nfs/dbraw/zinc/54/01/16/945540116.db2.gz ZPQMAGUMYGCIIS-AAVRWANBSA-N 0 1 385.476 0.612 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001571266334 945540122 /nfs/dbraw/zinc/54/01/22/945540122.db2.gz ZPQMAGUMYGCIIS-AAVRWANBSA-N 0 1 385.476 0.612 20 0 GCADMN CC(C)[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[NH+](C)C ZINC001571266409 945541124 /nfs/dbraw/zinc/54/11/24/945541124.db2.gz QEQSKJGEXFMFGW-DVOMOZLQSA-N 0 1 385.476 0.423 20 0 GCADMN CCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001571266464 945541364 /nfs/dbraw/zinc/54/13/64/945541364.db2.gz RDKPQQSSACNBML-ZDUSSCGKSA-N 0 1 385.476 0.213 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001571266464 945541375 /nfs/dbraw/zinc/54/13/75/945541375.db2.gz RDKPQQSSACNBML-ZDUSSCGKSA-N 0 1 385.476 0.213 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001571266464 945541383 /nfs/dbraw/zinc/54/13/83/945541383.db2.gz RDKPQQSSACNBML-ZDUSSCGKSA-N 0 1 385.476 0.213 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571266417 945541909 /nfs/dbraw/zinc/54/19/09/945541909.db2.gz QGIXERNQYQWBQF-UONOGXRCSA-N 0 1 385.476 0.838 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571266417 945541913 /nfs/dbraw/zinc/54/19/13/945541913.db2.gz QGIXERNQYQWBQF-UONOGXRCSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571266430 945542774 /nfs/dbraw/zinc/54/27/74/945542774.db2.gz QOVXYWHZWZMQEG-KGLIPLIRSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571266430 945542780 /nfs/dbraw/zinc/54/27/80/945542780.db2.gz QOVXYWHZWZMQEG-KGLIPLIRSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571266430 945542788 /nfs/dbraw/zinc/54/27/88/945542788.db2.gz QOVXYWHZWZMQEG-KGLIPLIRSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571266430 945542792 /nfs/dbraw/zinc/54/27/92/945542792.db2.gz QOVXYWHZWZMQEG-KGLIPLIRSA-N 0 1 385.476 0.615 20 0 GCADMN CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571266505 945543950 /nfs/dbraw/zinc/54/39/50/945543950.db2.gz SGUXJUHERADCLJ-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[n-]n2)n1)[NH+](C)C ZINC001571266493 945544224 /nfs/dbraw/zinc/54/42/24/945544224.db2.gz RYEDJKJCTUZDSP-HZSPNIEDSA-N 0 1 385.476 0.567 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nnn[n-]2)n1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001571266634 945546300 /nfs/dbraw/zinc/54/63/00/945546300.db2.gz VNMLBKDXVOAWDA-OCCSQVGLSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571266634 945546310 /nfs/dbraw/zinc/54/63/10/945546310.db2.gz VNMLBKDXVOAWDA-OCCSQVGLSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001571266634 945546315 /nfs/dbraw/zinc/54/63/15/945546315.db2.gz VNMLBKDXVOAWDA-OCCSQVGLSA-N 0 1 385.476 0.212 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266598 945547806 /nfs/dbraw/zinc/54/78/06/945547806.db2.gz VETARTOKAKFEPU-DZGCQCFKSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266598 945547811 /nfs/dbraw/zinc/54/78/11/945547811.db2.gz VETARTOKAKFEPU-DZGCQCFKSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[C@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001571266716 945549804 /nfs/dbraw/zinc/54/98/04/945549804.db2.gz XWHKNSFCQYOPHH-XJKSGUPXSA-N 0 1 385.476 0.790 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(CNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001571266681 945549869 /nfs/dbraw/zinc/54/98/69/945549869.db2.gz WLSWKQDBZJERBN-UGSOOPFHSA-N 0 1 385.476 0.071 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266681 945549875 /nfs/dbraw/zinc/54/98/75/945549875.db2.gz WLSWKQDBZJERBN-UGSOOPFHSA-N 0 1 385.476 0.071 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266681 945549885 /nfs/dbraw/zinc/54/98/85/945549885.db2.gz WLSWKQDBZJERBN-UGSOOPFHSA-N 0 1 385.476 0.071 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001571266695 945550123 /nfs/dbraw/zinc/55/01/23/945550123.db2.gz WZDGOAGPSOQUJZ-CYBMUJFWSA-N 0 1 385.476 0.356 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571266694 945550149 /nfs/dbraw/zinc/55/01/49/945550149.db2.gz WXLGUVYXFHPHLY-MJBXVCDLSA-N 0 1 385.476 0.979 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571266694 945550154 /nfs/dbraw/zinc/55/01/54/945550154.db2.gz WXLGUVYXFHPHLY-MJBXVCDLSA-N 0 1 385.476 0.979 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571266694 945550162 /nfs/dbraw/zinc/55/01/62/945550162.db2.gz WXLGUVYXFHPHLY-MJBXVCDLSA-N 0 1 385.476 0.979 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571266694 945550170 /nfs/dbraw/zinc/55/01/70/945550170.db2.gz WXLGUVYXFHPHLY-MJBXVCDLSA-N 0 1 385.476 0.979 20 0 GCADMN C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571266794 945551549 /nfs/dbraw/zinc/55/15/49/945551549.db2.gz ZJJPSCXATRGLGA-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571266794 945551553 /nfs/dbraw/zinc/55/15/53/945551553.db2.gz ZJJPSCXATRGLGA-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)NC2CCC(Nc3ccc(-c4nn[nH]n4)nn3)CC2)C1 ZINC001571266789 945552951 /nfs/dbraw/zinc/55/29/51/945552951.db2.gz ZJHNUCDJIFNVBN-HSBZDZAISA-N 0 1 385.476 0.838 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571266789 945552958 /nfs/dbraw/zinc/55/29/58/945552958.db2.gz ZJHNUCDJIFNVBN-HSBZDZAISA-N 0 1 385.476 0.838 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)NC2CCC(Nc3ccc(-c4nnn[n-]4)nn3)CC2)C1 ZINC001571266789 945552964 /nfs/dbraw/zinc/55/29/64/945552964.db2.gz ZJHNUCDJIFNVBN-HSBZDZAISA-N 0 1 385.476 0.838 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)NC2CCC(Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001571266789 945552967 /nfs/dbraw/zinc/55/29/67/945552967.db2.gz ZJHNUCDJIFNVBN-HSBZDZAISA-N 0 1 385.476 0.838 20 0 GCADMN 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386.460 0.310 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@H]1COc2ccccc2C1 ZINC001571303340 946335169 /nfs/dbraw/zinc/33/51/69/946335169.db2.gz KSJYNJPDVJYBHJ-KFWWJZLASA-N 0 1 391.435 0.994 20 0 GCADMN Cc1cc(N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)c2cnccn2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571303594 946343206 /nfs/dbraw/zinc/34/32/06/946343206.db2.gz UBOPRAZPNAUNNR-IHRRRGAJSA-N 0 1 391.439 0.887 20 0 GCADMN CC(=O)NCC(=O)N(C)[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573497276 946347226 /nfs/dbraw/zinc/34/72/26/946347226.db2.gz OXHOIHBIGFEHOV-QMMMGPOBSA-N 0 1 384.853 0.150 20 0 GCADMN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C(C)(C)C1 ZINC001573498891 946364125 /nfs/dbraw/zinc/36/41/25/946364125.db2.gz AFDBHTLMHKUQQU-CYBMUJFWSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C(C)(C)C1 ZINC001573498891 946364136 /nfs/dbraw/zinc/36/41/36/946364136.db2.gz AFDBHTLMHKUQQU-CYBMUJFWSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001573500925 946376460 /nfs/dbraw/zinc/37/64/60/946376460.db2.gz LNGLGPSCJTXXJS-ZYHUDNBSSA-N 0 1 377.474 0.248 20 0 GCADMN CC(=O)NCC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001573500925 946376473 /nfs/dbraw/zinc/37/64/73/946376473.db2.gz LNGLGPSCJTXXJS-ZYHUDNBSSA-N 0 1 377.474 0.248 20 0 GCADMN CC(=O)NCC(=O)N1C[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C[C@H]1C ZINC001573502508 946386729 /nfs/dbraw/zinc/38/67/29/946386729.db2.gz WUCFXJYBRGMOFT-SVRRBLITSA-N 0 1 384.853 0.514 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001573504739 946414605 /nfs/dbraw/zinc/41/46/05/946414605.db2.gz JCGNRJCFTVMNIM-MFKMUULPSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001573504739 946414611 /nfs/dbraw/zinc/41/46/11/946414611.db2.gz JCGNRJCFTVMNIM-MFKMUULPSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)NCC(=O)N1CCC([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573505333 946418767 /nfs/dbraw/zinc/41/87/67/946418767.db2.gz MNNPUVFNCARSFJ-UHFFFAOYSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)NCC(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573505333 946418775 /nfs/dbraw/zinc/41/87/75/946418775.db2.gz MNNPUVFNCARSFJ-UHFFFAOYSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)NCC(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573505333 946418783 /nfs/dbraw/zinc/41/87/83/946418783.db2.gz MNNPUVFNCARSFJ-UHFFFAOYSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)NCC(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573505333 946418789 /nfs/dbraw/zinc/41/87/89/946418789.db2.gz MNNPUVFNCARSFJ-UHFFFAOYSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)NCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573505450 946421168 /nfs/dbraw/zinc/42/11/68/946421168.db2.gz NUKSIQZRNBXRBQ-OKILXGFUSA-N 0 1 384.444 0.276 20 0 GCADMN CC(=O)NCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573505668 946423677 /nfs/dbraw/zinc/42/36/77/946423677.db2.gz MTWJNOHZBYHUQH-LBPRGKRZSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)NCC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573505668 946423685 /nfs/dbraw/zinc/42/36/85/946423685.db2.gz MTWJNOHZBYHUQH-LBPRGKRZSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573505855 946425979 /nfs/dbraw/zinc/42/59/79/946425979.db2.gz OPQBWULHKZKJSQ-JQWIXIFHSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H]([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573505855 946425986 /nfs/dbraw/zinc/42/59/86/946425986.db2.gz OPQBWULHKZKJSQ-JQWIXIFHSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573506340 946431158 /nfs/dbraw/zinc/43/11/58/946431158.db2.gz PSUQCQNLGQOMRD-BXUZGUMPSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)NCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573506340 946431164 /nfs/dbraw/zinc/43/11/64/946431164.db2.gz PSUQCQNLGQOMRD-BXUZGUMPSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)NCC(=O)N1CCC[C@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573506702 946436853 /nfs/dbraw/zinc/43/68/53/946436853.db2.gz RVKQVKNDZOUUSQ-CQSZACIVSA-N 0 1 386.460 0.381 20 0 GCADMN C[C@]1(NC(=O)[C@H]2COc3ccccc32)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571309522 946447688 /nfs/dbraw/zinc/44/76/88/946447688.db2.gz CJEVBICTARDXJN-DJJJIMSYSA-N 0 1 392.423 0.918 20 0 GCADMN CC(=O)NCC(=O)N1CCC[C@H]1CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573507665 946448942 /nfs/dbraw/zinc/44/89/42/946448942.db2.gz WJOCRACCUBHSAH-QMMMGPOBSA-N 0 1 384.853 0.516 20 0 GCADMN CC(=O)NCC(=O)N1CCC[C@H](C)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001573507677 946449501 /nfs/dbraw/zinc/44/95/01/946449501.db2.gz WKYNQLACTNBWTP-LRDDRELGSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573508992 946457101 /nfs/dbraw/zinc/45/71/01/946457101.db2.gz DNGXCPDODVUQGM-WCQYABFASA-N 0 1 375.458 0.097 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573508992 946457108 /nfs/dbraw/zinc/45/71/08/946457108.db2.gz DNGXCPDODVUQGM-WCQYABFASA-N 0 1 375.458 0.097 20 0 GCADMN CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573509269 946459090 /nfs/dbraw/zinc/45/90/90/946459090.db2.gz IXJBRMOFFPJZGU-LBPRGKRZSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)NCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573509269 946459094 /nfs/dbraw/zinc/45/90/94/946459094.db2.gz IXJBRMOFFPJZGU-LBPRGKRZSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573509268 946459458 /nfs/dbraw/zinc/45/94/58/946459458.db2.gz IXJBRMOFFPJZGU-GFCCVEGCSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)NCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573509268 946459463 /nfs/dbraw/zinc/45/94/63/946459463.db2.gz IXJBRMOFFPJZGU-GFCCVEGCSA-N 0 1 377.474 0.535 20 0 GCADMN NC(=O)c1ccc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)nc1 ZINC001571310220 946466654 /nfs/dbraw/zinc/46/66/54/946466654.db2.gz YTUKSBBYYRYBTR-UHFFFAOYSA-N 0 1 392.423 0.222 20 0 GCADMN CC(=O)NCC(=O)NC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573510205 946474660 /nfs/dbraw/zinc/47/46/60/946474660.db2.gz BMCWTLLQKDRUSJ-UHFFFAOYSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)NCC(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573510205 946474669 /nfs/dbraw/zinc/47/46/69/946474669.db2.gz BMCWTLLQKDRUSJ-UHFFFAOYSA-N 0 1 377.474 0.535 20 0 GCADMN NC(=O)[C@H]1CCCN(S(=O)(=O)c2c3ccccc3sc2-c2nn[nH]n2)C1 ZINC001571310574 946476238 /nfs/dbraw/zinc/47/62/38/946476238.db2.gz JLJRWBGXSXDEMH-VIFPVBQESA-N 0 1 392.466 0.967 20 0 GCADMN CCOC(=O)[C@H](C)C1CN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC001571311008 946480664 /nfs/dbraw/zinc/48/06/64/946480664.db2.gz PQAYIDVAKHTLPJ-MRVPVSSYSA-N 0 1 392.441 0.960 20 0 GCADMN O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1ccnc(C2CC2)n1 ZINC001571312446 946491084 /nfs/dbraw/zinc/49/10/84/946491084.db2.gz DDKVDGNSMSKAFX-UMSPYCQHSA-N 0 1 392.427 0.367 20 0 GCADMN C[C@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571312495 946493789 /nfs/dbraw/zinc/49/37/89/946493789.db2.gz FZRFBNFFDIJPIG-GXFFZTMASA-N 0 1 392.427 0.319 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CC[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001573512348 946497505 /nfs/dbraw/zinc/49/75/05/946497505.db2.gz FAAVFQSTESCARE-MELADBBJSA-N 0 1 384.444 0.119 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573512752 946502523 /nfs/dbraw/zinc/50/25/23/946502523.db2.gz HFDBQOUEWMJSCN-TZMCWYRMSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573512752 946502532 /nfs/dbraw/zinc/50/25/32/946502532.db2.gz HFDBQOUEWMJSCN-TZMCWYRMSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001573513061 946507631 /nfs/dbraw/zinc/50/76/31/946507631.db2.gz KKPTZAHOGVQQAF-RHSMWYFYSA-N 0 1 389.485 0.678 20 0 GCADMN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)CC2 ZINC001573513061 946507636 /nfs/dbraw/zinc/50/76/36/946507636.db2.gz KKPTZAHOGVQQAF-RHSMWYFYSA-N 0 1 389.485 0.678 20 0 GCADMN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001573513061 946507647 /nfs/dbraw/zinc/50/76/47/946507647.db2.gz KKPTZAHOGVQQAF-RHSMWYFYSA-N 0 1 389.485 0.678 20 0 GCADMN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccc(-c3nn[n-]n3)s1)CC2 ZINC001573513061 946507656 /nfs/dbraw/zinc/50/76/56/946507656.db2.gz KKPTZAHOGVQQAF-RHSMWYFYSA-N 0 1 389.485 0.678 20 0 GCADMN O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1)c1ccnnc1 ZINC001571313148 946513456 /nfs/dbraw/zinc/51/34/56/946513456.db2.gz OXAROOVRKPOCSI-MELADBBJSA-N 0 1 392.427 0.482 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@H]1C ZINC001573513714 946515773 /nfs/dbraw/zinc/51/57/73/946515773.db2.gz PNLZVYBTRIWITD-ZBEGNZNMSA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573513891 946515848 /nfs/dbraw/zinc/51/58/48/946515848.db2.gz QRWXCDRJLSPJPB-AAEUAGOBSA-N 0 1 377.474 0.439 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573513891 946515854 /nfs/dbraw/zinc/51/58/54/946515854.db2.gz QRWXCDRJLSPJPB-AAEUAGOBSA-N 0 1 377.474 0.439 20 0 GCADMN O=C(NC1(C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CC1)c1ccnnc1 ZINC001571313631 946527584 /nfs/dbraw/zinc/52/75/84/946527584.db2.gz VBAAMEJZUWSGDY-UHFFFAOYSA-N 0 1 392.427 0.626 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCN(c2ccncc2-c2nn[nH]n2)CC(C)(C)C1 ZINC001573514623 946532440 /nfs/dbraw/zinc/53/24/40/946532440.db2.gz BOBKOOGWKADTLU-ZDUSSCGKSA-N 0 1 386.460 0.509 20 0 GCADMN O=C(c1ccn[nH]1)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nn[nH]n2)nn1 ZINC001571313866 946534702 /nfs/dbraw/zinc/53/47/02/946534702.db2.gz WSALSUXEUXHQCC-OXIQGZBJSA-N 0 1 392.427 0.367 20 0 GCADMN Cc1ccc(C(=O)N[C@@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)nn1 ZINC001571313920 946537737 /nfs/dbraw/zinc/53/77/37/946537737.db2.gz XMWCYPKTUDUTEZ-CHWSQXEVSA-N 0 1 392.427 0.330 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC001573515053 946538662 /nfs/dbraw/zinc/53/86/62/946538662.db2.gz HDINIXKZMSTUIJ-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H](C)C1 ZINC001573515053 946538672 /nfs/dbraw/zinc/53/86/72/946538672.db2.gz HDINIXKZMSTUIJ-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC001573515053 946538677 /nfs/dbraw/zinc/53/86/77/946538677.db2.gz HDINIXKZMSTUIJ-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)[C@@H](C)C1 ZINC001573515053 946538690 /nfs/dbraw/zinc/53/86/90/946538690.db2.gz HDINIXKZMSTUIJ-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1n[nH]c2c1CCCC2 ZINC001571314007 946540862 /nfs/dbraw/zinc/54/08/62/946540862.db2.gz ZGVNREXYNAWJIO-YABSGUDNSA-N 0 1 392.427 0.123 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1(C)C ZINC001573515433 946543014 /nfs/dbraw/zinc/54/30/14/946543014.db2.gz MKOGVLYRGSDUKD-OAHLLOKOSA-N 0 1 386.460 0.427 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1(C)C ZINC001573515638 946548902 /nfs/dbraw/zinc/54/89/02/946548902.db2.gz OEAYWFVAUGCTQA-HNNXBMFYSA-N 0 1 389.435 0.469 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1(C)C ZINC001573516045 946556274 /nfs/dbraw/zinc/55/62/74/946556274.db2.gz UQZMRFUFUOWKLD-CQSZACIVSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1(C)C ZINC001573516045 946556283 /nfs/dbraw/zinc/55/62/83/946556283.db2.gz UQZMRFUFUOWKLD-CQSZACIVSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001573517141 946567270 /nfs/dbraw/zinc/56/72/70/946567270.db2.gz DFNJTMJDSWJCQP-UHFFFAOYSA-N 0 1 377.474 0.583 20 0 GCADMN CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001573517141 946567284 /nfs/dbraw/zinc/56/72/84/946567284.db2.gz DFNJTMJDSWJCQP-UHFFFAOYSA-N 0 1 377.474 0.583 20 0 GCADMN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573517594 946577383 /nfs/dbraw/zinc/57/73/83/946577383.db2.gz OFFRJSHODIOMIU-ZDUSSCGKSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)NCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573517594 946577402 /nfs/dbraw/zinc/57/74/02/946577402.db2.gz OFFRJSHODIOMIU-ZDUSSCGKSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)NCC(=O)NC[C@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573517661 946579176 /nfs/dbraw/zinc/57/91/76/946579176.db2.gz PDEVHGHOLGQGFY-CYBMUJFWSA-N 0 1 375.408 0.223 20 0 GCADMN CC(=O)NCC(=O)NCC1CC(Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573518096 946587838 /nfs/dbraw/zinc/58/78/38/946587838.db2.gz XJZQTIPSTKPPCO-UHFFFAOYSA-N 0 1 384.853 0.419 20 0 GCADMN CC(=O)NCC(=O)NC[C@@H]1CCCN1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573518081 946588455 /nfs/dbraw/zinc/58/84/55/946588455.db2.gz XEZIXUCOGGQWFZ-ZDUSSCGKSA-N 0 1 375.408 0.223 20 0 GCADMN CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000824141040 946600120 /nfs/dbraw/zinc/60/01/20/946600120.db2.gz AWNHAFXUJDELMM-NSHDSACASA-N 0 1 387.448 0.063 20 0 GCADMN CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000824141040 946600128 /nfs/dbraw/zinc/60/01/28/946600128.db2.gz AWNHAFXUJDELMM-NSHDSACASA-N 0 1 387.448 0.063 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573522058 946621447 /nfs/dbraw/zinc/62/14/47/946621447.db2.gz XPQZSKXBZPVDMG-RKDXNWHRSA-N 0 1 398.880 0.952 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573523892 946638283 /nfs/dbraw/zinc/63/82/83/946638283.db2.gz XWBKECTWLYJRMJ-IAQYHMDHSA-N 0 1 386.460 0.105 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573527518 946643418 /nfs/dbraw/zinc/64/34/18/946643418.db2.gz BEFSGLKZHVATMS-JOCQHMNTSA-N 0 1 386.460 0.213 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573527719 946646670 /nfs/dbraw/zinc/64/66/70/946646670.db2.gz FSYYCEHJJUPMGW-BETUJISGSA-N 0 1 386.460 0.153 20 0 GCADMN CC(=O)N[C@@H](C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)C(C)C ZINC001573535262 946718650 /nfs/dbraw/zinc/71/86/50/946718650.db2.gz ACCSSMRJHWMMDO-JKSUJKDBSA-N 0 1 386.460 0.151 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001573535815 946725366 /nfs/dbraw/zinc/72/53/66/946725366.db2.gz JZERHQAJIKGUNN-IINYFYTJSA-N 0 1 379.490 0.683 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001573535815 946725379 /nfs/dbraw/zinc/72/53/79/946725379.db2.gz JZERHQAJIKGUNN-IINYFYTJSA-N 0 1 379.490 0.683 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C(C)C ZINC001573536106 946730092 /nfs/dbraw/zinc/73/00/92/946730092.db2.gz PHHJNQVOGVDQRB-DLBZAZTESA-N 0 1 385.472 0.718 20 0 GCADMN CC(=O)N[C@@H](C(=O)NC[C@@H](C)NCc1ccc(-c2nn[nH]n2)cc1F)C(C)C ZINC001573536150 946733177 /nfs/dbraw/zinc/73/31/77/946733177.db2.gz QDRBMNQDNLZEKG-BDJLRTHQSA-N 0 1 391.451 0.761 20 0 GCADMN CC(=O)N[C@@H](C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)C(C)C ZINC001573536409 946734991 /nfs/dbraw/zinc/73/49/91/946734991.db2.gz WLUQUWCXRWHNQY-SEEARECTSA-N 0 1 386.460 0.151 20 0 GCADMN CC(=O)N[C@@H](C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(C)C ZINC001573536741 946739749 /nfs/dbraw/zinc/73/97/49/946739749.db2.gz BPCXCBPOWSLVPZ-XJKSGUPXSA-N 0 1 386.460 0.247 20 0 GCADMN C[C@@H](NC(=O)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)c1nnc[nH]1 ZINC000824500436 946746136 /nfs/dbraw/zinc/74/61/36/946746136.db2.gz WONFXUDXSVTZER-SNVBAGLBSA-N 0 1 383.420 0.409 20 0 GCADMN CC(=O)N[C@@H](C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C(C)C ZINC001573537365 946747551 /nfs/dbraw/zinc/74/75/51/946747551.db2.gz LEAFFKMGPGYPOU-CZUORRHYSA-N 0 1 386.460 0.166 20 0 GCADMN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000824507347 946756338 /nfs/dbraw/zinc/75/63/38/946756338.db2.gz WQJIJQYZANQJHN-WDEREUQCSA-N 0 1 391.436 0.220 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)NC[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573540362 946774461 /nfs/dbraw/zinc/77/44/61/946774461.db2.gz ANWKTBKWUZMADI-MLGOLLRUSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)N[C@H](C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573540577 946778210 /nfs/dbraw/zinc/77/82/10/946778210.db2.gz GNZPCXAAJPPLPX-IAQYHMDHSA-N 0 1 388.476 0.399 20 0 GCADMN CC(=O)N[C@H](C(=O)NC[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573541000 946783526 /nfs/dbraw/zinc/78/35/26/946783526.db2.gz LZNVEUFPSTUOBI-XHDPSFHLSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)Nc1cccc(CNc2n[nH]c(N3CCOCC3)c2-c2nn[nH]n2)c1 ZINC001573546556 946813029 /nfs/dbraw/zinc/81/30/29/946813029.db2.gz FAJWQCBHNJVDFZ-UHFFFAOYSA-N 0 1 383.416 0.997 20 0 GCADMN CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2ccncc2-c2nn[nH]n2)nc1 ZINC001573547466 946834844 /nfs/dbraw/zinc/83/48/44/946834844.db2.gz LRXBPMKIRXYIQJ-JTQLQIEISA-N 0 1 381.400 0.267 20 0 GCADMN CC(=O)Nc1cccnc1C(=O)NC[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573548765 946859976 /nfs/dbraw/zinc/85/99/76/946859976.db2.gz UFFQWYGCOOMIBN-SNVBAGLBSA-N 0 1 381.400 0.267 20 0 GCADMN C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C[N@@H+]1C1CC1 ZINC000824892142 946975913 /nfs/dbraw/zinc/97/59/13/946975913.db2.gz FAEXKEISSWXATK-QWRGUYRKSA-N 0 1 388.480 0.371 20 0 GCADMN C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C[N@H+]1C1CC1 ZINC000824892142 946975919 /nfs/dbraw/zinc/97/59/19/946975919.db2.gz FAEXKEISSWXATK-QWRGUYRKSA-N 0 1 388.480 0.371 20 0 GCADMN C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C[N@@H+]1C1CC1 ZINC000824892142 946975921 /nfs/dbraw/zinc/97/59/21/946975921.db2.gz FAEXKEISSWXATK-QWRGUYRKSA-N 0 1 388.480 0.371 20 0 GCADMN C[C@H]1C[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C[N@H+]1C1CC1 ZINC000824892142 946975925 /nfs/dbraw/zinc/97/59/25/946975925.db2.gz FAEXKEISSWXATK-QWRGUYRKSA-N 0 1 388.480 0.371 20 0 GCADMN CC[C@H](O)CN1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825154099 947103268 /nfs/dbraw/zinc/10/32/68/947103268.db2.gz LLLYRTYGLUAHGJ-ZWKOTPCHSA-N 0 1 399.499 0.751 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001573591867 947322543 /nfs/dbraw/zinc/32/25/43/947322543.db2.gz GWTZDHUEFCZPRJ-OLZOCXBDSA-N 0 1 385.428 0.914 20 0 GCADMN C[C@H](C(=O)N(C)C)N1CCC[C@@](C)(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573592502 947338520 /nfs/dbraw/zinc/33/85/20/947338520.db2.gz CSZYQMDNVJDMDY-XIKOKIGWSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573592875 947353201 /nfs/dbraw/zinc/35/32/01/947353201.db2.gz OCDRUTZNHIIESD-UWVGGRQHSA-N 0 1 387.366 0.716 20 0 GCADMN C[C@H](C(=O)N(C)C)N1CCCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001573594780 947405426 /nfs/dbraw/zinc/40/54/26/947405426.db2.gz SKNHMJQWEMGGQQ-GFCCVEGCSA-N 0 1 386.460 0.210 20 0 GCADMN C[C@@H](C(=O)N(C)C)N1CCCC2(CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)C1 ZINC001573595255 947417739 /nfs/dbraw/zinc/41/77/39/947417739.db2.gz WYTMSLSTNZKVAW-LBPRGKRZSA-N 0 1 386.460 0.210 20 0 GCADMN C[C@H](C(=O)N(C)C)N1CC[C@]2(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CCC[C@@H]12 ZINC001573595610 947421422 /nfs/dbraw/zinc/42/14/22/947421422.db2.gz ZFMUUPCSHHQNJO-YRILPIOLSA-N 0 1 386.460 0.398 20 0 GCADMN CNC(=O)[C@@H]1CCCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826060306 947421728 /nfs/dbraw/zinc/42/17/28/947421728.db2.gz KOUSFOPAYAHTHM-GDBMZVCRSA-N 0 1 383.456 0.820 20 0 GCADMN CNC(=O)C1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826060164 947422637 /nfs/dbraw/zinc/42/26/37/947422637.db2.gz HYFRVRQDTNKGQH-MRXNPFEDSA-N 0 1 383.456 0.820 20 0 GCADMN COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc2ccccc2c1 ZINC000826104294 947430209 /nfs/dbraw/zinc/43/02/09/947430209.db2.gz UCCCAVWNYMEUKO-HNNXBMFYSA-N 0 1 392.379 0.642 20 0 GCADMN COC(=O)C1CC[NH+](CCCNC(=O)Cc2noc(C)c2-c2nn[n-]n2)CC1 ZINC000826133786 947447309 /nfs/dbraw/zinc/44/73/09/947447309.db2.gz PPZMTJGUAPNNBP-UHFFFAOYSA-N 0 1 391.432 0.097 20 0 GCADMN C[C@H](C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cncn1 ZINC001573602582 947467793 /nfs/dbraw/zinc/46/77/93/947467793.db2.gz FUTAXIDEFJYRAQ-GFCCVEGCSA-N 0 1 387.423 0.749 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573614126 947577853 /nfs/dbraw/zinc/57/78/53/947577853.db2.gz CCXFYNHQYFNMPM-NWDGAFQWSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573614126 947577855 /nfs/dbraw/zinc/57/78/55/947577855.db2.gz CCXFYNHQYFNMPM-NWDGAFQWSA-N 0 1 387.473 0.719 20 0 GCADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573615066 947598355 /nfs/dbraw/zinc/59/83/55/947598355.db2.gz PYXZPKNGQJALNQ-UPJWGTAASA-N 0 1 380.416 0.294 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573615675 947609388 /nfs/dbraw/zinc/60/93/88/947609388.db2.gz JRIHPNRSXLWFPG-OLZOCXBDSA-N 0 1 379.428 0.538 20 0 GCADMN C[C@H](C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573616216 947619130 /nfs/dbraw/zinc/61/91/30/947619130.db2.gz HTEGSNGBHSNBJI-GFCCVEGCSA-N 0 1 382.432 0.187 20 0 GCADMN C[C@@H](C(=O)N1CCC(C)(Nc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573619785 947671283 /nfs/dbraw/zinc/67/12/83/947671283.db2.gz WVECVLBMBPBSKC-LBPRGKRZSA-N 0 1 382.432 0.329 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573627115 947718287 /nfs/dbraw/zinc/71/82/87/947718287.db2.gz YXLIZTNRNIKTKY-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573628109 947746777 /nfs/dbraw/zinc/74/67/77/947746777.db2.gz ISNUWCMMDGOKRB-UONOGXRCSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573628210 947748626 /nfs/dbraw/zinc/74/86/26/947748626.db2.gz 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CC(=O)N(C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573394668 947964226 /nfs/dbraw/zinc/96/42/26/947964226.db2.gz URIFGCJXSIEGNG-GXTWGEPZSA-N 0 1 386.460 0.058 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC([C@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573394435 947964456 /nfs/dbraw/zinc/96/44/56/947964456.db2.gz UDYQMXNBIXWANQ-LBPRGKRZSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC001573394432 947964563 /nfs/dbraw/zinc/96/45/63/947964563.db2.gz UDRPUHONTBOQMF-MFKMUULPSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC001573394432 947964571 /nfs/dbraw/zinc/96/45/71/947964571.db2.gz UDRPUHONTBOQMF-MFKMUULPSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573394776 947966103 /nfs/dbraw/zinc/96/61/03/947966103.db2.gz VXUMVHXMIULYGK-YPMHNXCESA-N 0 1 391.501 0.733 20 0 GCADMN 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/nfs/dbraw/zinc/07/78/35/948077835.db2.gz NQASOJXFGSQXAZ-CHWSQXEVSA-N 0 1 382.432 0.590 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 ZINC001573413818 948085615 /nfs/dbraw/zinc/08/56/15/948085615.db2.gz GYHFUPTXWPMANJ-CYBMUJFWSA-N 0 1 389.485 0.487 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001573413818 948085622 /nfs/dbraw/zinc/08/56/22/948085622.db2.gz GYHFUPTXWPMANJ-CYBMUJFWSA-N 0 1 389.485 0.487 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573666488 948086814 /nfs/dbraw/zinc/08/68/14/948086814.db2.gz UBGAYDDXESNKGU-DGCLKSJQSA-N 0 1 382.432 0.279 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573666489 948087104 /nfs/dbraw/zinc/08/71/04/948087104.db2.gz UBGAYDDXESNKGU-WCQYABFASA-N 0 1 382.432 0.279 20 0 GCADMN CC(=O)N1CC(C(=O)N2CC[C@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001573414106 948090791 /nfs/dbraw/zinc/09/07/91/948090791.db2.gz JJZRNQKHPYIEPT-HNNXBMFYSA-N 0 1 387.419 0.175 20 0 GCADMN C[C@H](C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)c1cnn(C)c1 ZINC001573670665 948103984 /nfs/dbraw/zinc/10/39/84/948103984.db2.gz CSVBYGMBYLOQTA-LBPRGKRZSA-N 0 1 381.444 0.884 20 0 GCADMN C[C@H](C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573672670 948109281 /nfs/dbraw/zinc/10/92/81/948109281.db2.gz ILWMWLIAPCWVEO-FZMZJTMJSA-N 0 1 384.444 0.261 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)C[C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573415437 948109327 /nfs/dbraw/zinc/10/93/27/948109327.db2.gz RZIRVPBLZYQUMM-LLVKDONJSA-N 0 1 389.435 0.421 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](CNc2ccncc2-c2nn[nH]n2)CC(C)C)C1 ZINC001573418540 948117545 /nfs/dbraw/zinc/11/75/45/948117545.db2.gz GTVJUNKXDAVASQ-CQSZACIVSA-N 0 1 386.460 0.105 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H](C)Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573420191 948134667 /nfs/dbraw/zinc/13/46/67/948134667.db2.gz YUTNVHZFJPUFDE-ZCFIWIBFSA-N 0 1 384.853 0.372 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C(C)C)C1 ZINC001573421548 948139918 /nfs/dbraw/zinc/13/99/18/948139918.db2.gz GVACERFBHLHXOG-AWEZNQCLSA-N 0 1 391.501 0.637 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C(C)C)C1 ZINC001573421548 948139929 /nfs/dbraw/zinc/13/99/29/948139929.db2.gz GVACERFBHLHXOG-AWEZNQCLSA-N 0 1 391.501 0.637 20 0 GCADMN CC(=O)N1CC(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CC2)C1 ZINC001573422420 948141176 /nfs/dbraw/zinc/14/11/76/948141176.db2.gz LJDCDVQLHGCRGR-UHFFFAOYSA-N 0 1 387.419 0.223 20 0 GCADMN C[C@@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573677915 948144065 /nfs/dbraw/zinc/14/40/65/948144065.db2.gz BGUDYNAKNVGSIT-WCQYABFASA-N 0 1 388.407 0.030 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)CNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573424296 948149694 /nfs/dbraw/zinc/14/96/94/948149694.db2.gz XWLVUBKWGZRFOW-LURJTMIESA-N 0 1 384.853 0.372 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)C1 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BBMLGAXSTJPCMY-JKSUJKDBSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573446539 948331013 /nfs/dbraw/zinc/33/10/13/948331013.db2.gz IGDJYFSAPHQMDO-BLLLJJGKSA-N 0 1 386.460 0.262 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH+]=c1cc(C)[nH]cc1-c1nn[n-]n1 ZINC001573446664 948334383 /nfs/dbraw/zinc/33/43/83/948334383.db2.gz LQJOMUNJUVVUBT-MEDUHNTESA-N 0 1 386.460 0.167 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573702017 948343329 /nfs/dbraw/zinc/34/33/29/948343329.db2.gz CNDZPCUQFWTMTM-QWHCGFSZSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573704090 948362990 /nfs/dbraw/zinc/36/29/90/948362990.db2.gz OVMAULRVFSKQPH-QWHCGFSZSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001573704964 948387766 /nfs/dbraw/zinc/38/77/66/948387766.db2.gz FMJYWLOFOKMPEY-GXTWGEPZSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573705020 948389931 /nfs/dbraw/zinc/38/99/31/948389931.db2.gz VEFFPATZVABKDY-JSGCOSHPSA-N 0 1 379.428 0.940 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1)C1CCC1 ZINC001573705064 948391110 /nfs/dbraw/zinc/39/11/10/948391110.db2.gz COKGEFAYKUXXEP-TZMCWYRMSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573705331 948397665 /nfs/dbraw/zinc/39/76/65/948397665.db2.gz DVSYJEZJKONITM-CYBMUJFWSA-N 0 1 380.456 0.952 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCC(=O)N1 ZINC001573706938 948427115 /nfs/dbraw/zinc/42/71/15/948427115.db2.gz LRWVJOICWYZYFP-WBMJQRKESA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573708270 948446814 /nfs/dbraw/zinc/44/68/14/948446814.db2.gz SNYZEIPKUSNSOG-OLZOCXBDSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573708346 948448236 /nfs/dbraw/zinc/44/82/36/948448236.db2.gz UHJVQOBZTWUKOI-QWHCGFSZSA-N 0 1 392.485 0.238 20 0 GCADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573714510 948473464 /nfs/dbraw/zinc/47/34/64/948473464.db2.gz HKJTUEYBJNRYEY-OLZOCXBDSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@@H](C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573718146 948515309 /nfs/dbraw/zinc/51/53/09/948515309.db2.gz HZJZNNMAJRSBDM-LLVKDONJSA-N 0 1 382.432 0.279 20 0 GCADMN C[C@@H](C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1)n1cncn1 ZINC001573720306 948533280 /nfs/dbraw/zinc/53/32/80/948533280.db2.gz QJLIAWQGUQAWLP-ZDUSSCGKSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573728149 948560060 /nfs/dbraw/zinc/56/00/60/948560060.db2.gz PKULLXXPIUGOPX-BZPMIXESSA-N 0 1 379.428 0.584 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C(F)(F)F ZINC001573740873 948645220 /nfs/dbraw/zinc/64/52/20/948645220.db2.gz PSNGXACARIJPAJ-OASPWFOLSA-N 0 1 384.362 0.726 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1ccsc1 ZINC001573741167 948650459 /nfs/dbraw/zinc/65/04/59/948650459.db2.gz UNESSRVBPJZGKS-YUSALJHKSA-N 0 1 386.441 0.188 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCCC1 ZINC001573746544 948684173 /nfs/dbraw/zinc/68/41/73/948684173.db2.gz OACIBLBPRQPGDU-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001573747481 948692451 /nfs/dbraw/zinc/69/24/51/948692451.db2.gz VHCNNWJVHOMSJP-XDQVBPFNSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573749357 948700106 /nfs/dbraw/zinc/70/01/06/948700106.db2.gz YXPSFAVUTSSMCX-SRVKXCTJSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573749357 948700109 /nfs/dbraw/zinc/70/01/09/948700109.db2.gz YXPSFAVUTSSMCX-SRVKXCTJSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCCC1 ZINC001573751854 948706665 /nfs/dbraw/zinc/70/66/65/948706665.db2.gz FXXWMOWJQPITFN-MGPQQGTHSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCCC1 ZINC001573751854 948706668 /nfs/dbraw/zinc/70/66/68/948706668.db2.gz FXXWMOWJQPITFN-MGPQQGTHSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)n1cncn1 ZINC001573753631 948721058 /nfs/dbraw/zinc/72/10/58/948721058.db2.gz WKVREZUEMJKPBH-PQFRYHKHSA-N 0 1 385.457 0.327 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)n1cncn1 ZINC001573753631 948721063 /nfs/dbraw/zinc/72/10/63/948721063.db2.gz WKVREZUEMJKPBH-PQFRYHKHSA-N 0 1 385.457 0.327 20 0 GCADMN CC(C)[C@@H](F)C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574075857 948748935 /nfs/dbraw/zinc/74/89/35/948748935.db2.gz ZOIASBJVMIHTJT-WCQYABFASA-N 0 1 378.412 0.102 20 0 GCADMN C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574914667 948755004 /nfs/dbraw/zinc/75/50/04/948755004.db2.gz MDVQWQVXNNBRGM-LBPRGKRZSA-N 0 1 382.428 0.936 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575223234 948761542 /nfs/dbraw/zinc/76/15/42/948761542.db2.gz LWVZDZNXRMKQNE-AOOOYVTPSA-N 0 1 378.387 0.821 20 0 GCADMN CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001574417440 948769691 /nfs/dbraw/zinc/76/96/91/948769691.db2.gz NLRUKMBKQMHEGZ-GFCCVEGCSA-N 0 1 382.428 0.405 20 0 GCADMN C[C@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574915857 948769988 /nfs/dbraw/zinc/76/99/88/948769988.db2.gz YFUPIOHAJPNTME-LLVKDONJSA-N 0 1 383.416 0.331 20 0 GCADMN CC(C)c1cccc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)n1 ZINC001574417468 948770841 /nfs/dbraw/zinc/77/08/41/948770841.db2.gz OLOLPUMMPSXQDY-LBPRGKRZSA-N 0 1 382.428 0.405 20 0 GCADMN CC(F)(F)CC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575223803 948770900 /nfs/dbraw/zinc/77/09/00/948770900.db2.gz FXVLMMNQTGCCIS-UHFFFAOYSA-N 0 1 382.375 0.201 20 0 GCADMN C[C@@H](C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755826 948785575 /nfs/dbraw/zinc/78/55/75/948785575.db2.gz JCVJBTJFEHRAQI-GWCFXTLKSA-N 0 1 381.400 0.999 20 0 GCADMN C[C@@H](C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755827 948785741 /nfs/dbraw/zinc/78/57/41/948785741.db2.gz JCVJBTJFEHRAQI-GXFFZTMASA-N 0 1 381.400 0.999 20 0 GCADMN C[C@@H](C(=O)Nc1ncc(F)cc1Br)n1cnc(-c2nn[nH]n2)n1 ZINC001573756139 948797567 /nfs/dbraw/zinc/79/75/67/948797567.db2.gz XTJWBYGJXDTPQG-YFKPBYRVSA-N 0 1 382.157 0.955 20 0 GCADMN CC(C)c1cccc(CN[C@H](CO)CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574420278 948798085 /nfs/dbraw/zinc/79/80/85/948798085.db2.gz SOKUFKMIYISHJX-AWEZNQCLSA-N 0 1 384.444 0.594 20 0 GCADMN C[C@@H](CNC(=O)CCCn1ccccc1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574917749 948822949 /nfs/dbraw/zinc/82/29/49/948822949.db2.gz ANSDUIAFDNSWAJ-ZDUSSCGKSA-N 0 1 382.428 0.242 20 0 GCADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574917791 948827308 /nfs/dbraw/zinc/82/73/08/948827308.db2.gz BPPJAPLRYLSMTM-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574917791 948827320 /nfs/dbraw/zinc/82/73/20/948827320.db2.gz BPPJAPLRYLSMTM-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](CNc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573761300 948840440 /nfs/dbraw/zinc/84/04/40/948840440.db2.gz GOEAXIFQTCMPKN-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)c1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cs1 ZINC001574424333 948849630 /nfs/dbraw/zinc/84/96/30/948849630.db2.gz KWVVBMPQJMIOCS-JTQLQIEISA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CNC(=O)CCC[NH+]1CCCCC1)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574919245 948872764 /nfs/dbraw/zinc/87/27/64/948872764.db2.gz XFWVGZYCXJCDKD-AWEZNQCLSA-N 0 1 387.492 0.509 20 0 GCADMN CC(C)c1nc(CN2CC[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H]2C)n[nH]1 ZINC001574425476 948877387 /nfs/dbraw/zinc/87/73/87/948877387.db2.gz FRFQDQFWZYPZLX-MNOVXSKESA-N 0 1 384.448 0.829 20 0 GCADMN CC(C)c1nc(CN2CCC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 ZINC001574425668 948881854 /nfs/dbraw/zinc/88/18/54/948881854.db2.gz JTPBTVRYYHIKCO-NSHDSACASA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1nc(CN2CCC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n[nH]1 ZINC001574425976 948884752 /nfs/dbraw/zinc/88/47/52/948884752.db2.gz OPXSQHPKLJGZKC-UHFFFAOYSA-N 0 1 384.448 0.831 20 0 GCADMN C[C@@H](CNC(=O)CCc1nc[nH]n1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574920133 948886094 /nfs/dbraw/zinc/88/60/94/948886094.db2.gz DJOOVCIXCCDPBT-VIFPVBQESA-N 0 1 390.839 0.830 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1cnn(C)n1 ZINC001574684803 948887355 /nfs/dbraw/zinc/88/73/55/948887355.db2.gz MWPCUFIDFZCQPO-ZCFIWIBFSA-N 0 1 382.841 0.726 20 0 GCADMN CC(C)c1nnc(CN[C@H]2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001574427475 948903463 /nfs/dbraw/zinc/90/34/63/948903463.db2.gz FSWVBJFLDSUUOP-KLPPZKSPSA-N 0 1 384.448 0.735 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCCO1 ZINC001573765341 948906431 /nfs/dbraw/zinc/90/64/31/948906431.db2.gz ZAQNOUIMONUZOB-CHWSQXEVSA-N 0 1 386.460 0.687 20 0 GCADMN CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCCC1 ZINC001573765399 948907969 /nfs/dbraw/zinc/90/79/69/948907969.db2.gz CEBSTTYGDOKHSP-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@@H](CNC(=O)CCc1cncn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920873 948910579 /nfs/dbraw/zinc/91/05/79/948910579.db2.gz PXKGQHJFVWJKHZ-LBPRGKRZSA-N 0 1 386.435 0.966 20 0 GCADMN CC(C)(C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573765584 948916710 /nfs/dbraw/zinc/91/67/10/948916710.db2.gz PMQICBAUHVZAEP-JTQLQIEISA-N 0 1 381.387 0.614 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574921444 948923588 /nfs/dbraw/zinc/92/35/88/948923588.db2.gz XJVVGLUYUPTUGU-NSHDSACASA-N 0 1 387.423 0.361 20 0 GCADMN CC(C)c1ncncc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574432231 948929373 /nfs/dbraw/zinc/92/93/73/948929373.db2.gz FZBACMFNAYVQQS-LLVKDONJSA-N 0 1 380.416 0.319 20 0 GCADMN CC(C)c1ncncc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574432301 948930758 /nfs/dbraw/zinc/93/07/58/948930758.db2.gz JGURQXYTWPPBRJ-UHFFFAOYSA-N 0 1 382.432 0.779 20 0 GCADMN C[C@@H](CNC(=O)CCn1cc(Cl)cn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574923031 948931130 /nfs/dbraw/zinc/93/11/30/948931130.db2.gz BPVVLWMSESULSQ-JTQLQIEISA-N 0 1 390.839 0.538 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574432755 948938034 /nfs/dbraw/zinc/93/80/34/948938034.db2.gz CZGIHVUAMZNKJP-TXEJJXNPSA-N 0 1 381.444 0.913 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573771322 948938657 /nfs/dbraw/zinc/93/86/57/948938657.db2.gz GHPPHWQPJJGHDE-LLVKDONJSA-N 0 1 382.432 0.443 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCC1 ZINC001573772356 948957531 /nfs/dbraw/zinc/95/75/31/948957531.db2.gz APUXTOAYDVKADK-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433761 948963175 /nfs/dbraw/zinc/96/31/75/948963175.db2.gz PILIERLOPSJSCB-WDEREUQCSA-N 0 1 384.448 0.554 20 0 GCADMN CC(F)(F)CCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001575239595 948963777 /nfs/dbraw/zinc/96/37/77/948963777.db2.gz UYGSALHLVKMOGB-ZJUUUORDSA-N 0 1 382.375 0.148 20 0 GCADMN CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001575239591 948965037 /nfs/dbraw/zinc/96/50/37/948965037.db2.gz UYGSALHLVKMOGB-UWVGGRQHSA-N 0 1 382.375 0.148 20 0 GCADMN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574924307 948969366 /nfs/dbraw/zinc/96/93/66/948969366.db2.gz ZGICUEWKMMWNQW-NSHDSACASA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573772884 948970329 /nfs/dbraw/zinc/97/03/29/948970329.db2.gz XVGCQSBJGDHLBG-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573772884 948970339 /nfs/dbraw/zinc/97/03/39/948970339.db2.gz XVGCQSBJGDHLBG-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574925564 948972527 /nfs/dbraw/zinc/97/25/27/948972527.db2.gz BCIAXXDKCVXMNE-LBPRGKRZSA-N 0 1 387.448 0.000 20 0 GCADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCCC1 ZINC001573773164 948976003 /nfs/dbraw/zinc/97/60/03/948976003.db2.gz IMMNXZHOQPPWMP-AWEZNQCLSA-N 0 1 388.476 0.415 20 0 GCADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCCC1 ZINC001573773166 948977577 /nfs/dbraw/zinc/97/75/77/948977577.db2.gz IMMNXZHOQPPWMP-CQSZACIVSA-N 0 1 388.476 0.415 20 0 GCADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)C1CCOCC1 ZINC001573773130 948977839 /nfs/dbraw/zinc/97/78/39/948977839.db2.gz HTSNINBYQHANLQ-ZDUSSCGKSA-N 0 1 389.460 0.025 20 0 GCADMN C[C@H](CNC(=O)CN1CCCC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574926058 948982383 /nfs/dbraw/zinc/98/23/83/948982383.db2.gz HGHCFYUIKDYVNY-LLVKDONJSA-N 0 1 375.408 0.223 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CCC1)[NH+]1CCCC1 ZINC001573773757 948993206 /nfs/dbraw/zinc/99/32/06/948993206.db2.gz GVVIPLBFICFUIR-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573773972 948993811 /nfs/dbraw/zinc/99/38/11/948993811.db2.gz HGJFQFQVRPPLBI-VIFPVBQESA-N 0 1 384.366 0.974 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1ccnc(-c2nnn[n-]2)n1 ZINC001574926397 948996776 /nfs/dbraw/zinc/99/67/76/948996776.db2.gz PKEOGHUJUISEMB-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574926397 948996783 /nfs/dbraw/zinc/99/67/83/948996783.db2.gz PKEOGHUJUISEMB-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1ccnc(-c2nn[n-]n2)n1 ZINC001574926397 948996795 /nfs/dbraw/zinc/99/67/95/948996795.db2.gz PKEOGHUJUISEMB-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN CC(C)c1nnnn1CC(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574435723 948997243 /nfs/dbraw/zinc/99/72/43/948997243.db2.gz YWSVXNDYBRFCMM-UHFFFAOYSA-N 0 1 384.448 0.225 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCCC1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574926374 948999298 /nfs/dbraw/zinc/99/92/98/948999298.db2.gz OSMAMBDANSVHQM-CYBMUJFWSA-N 0 1 386.460 0.250 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574926453 949004041 /nfs/dbraw/zinc/00/40/41/949004041.db2.gz QVRRWSIUCQZUGK-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574926453 949004138 /nfs/dbraw/zinc/00/41/38/949004138.db2.gz QVRRWSIUCQZUGK-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574926453 949004224 /nfs/dbraw/zinc/00/42/24/949004224.db2.gz QVRRWSIUCQZUGK-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574926453 949004236 /nfs/dbraw/zinc/00/42/36/949004236.db2.gz QVRRWSIUCQZUGK-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573774519 949014662 /nfs/dbraw/zinc/01/46/62/949014662.db2.gz UBDGGZHLUAGHFC-CYBMUJFWSA-N 0 1 388.476 0.574 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575502288 949021022 /nfs/dbraw/zinc/02/10/22/949021022.db2.gz JXQGPDNLYJCMLX-NWDGAFQWSA-N 0 1 381.400 0.214 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@H]1CCCc2n[nH]nc21 ZINC001574691419 949023776 /nfs/dbraw/zinc/02/37/76/949023776.db2.gz XLJJBGDZPZLDIK-UWVGGRQHSA-N 0 1 383.420 0.202 20 0 GCADMN C[C@@H](F)CCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575245476 949024796 /nfs/dbraw/zinc/02/47/96/949024796.db2.gz CHCANHSICGALMR-PXAZEXFGSA-N 0 1 377.424 0.860 20 0 GCADMN CC(C)c1noc(CCC(=O)N[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574440919 949043052 /nfs/dbraw/zinc/04/30/52/949043052.db2.gz YQYRHVGERLCYIK-SNVBAGLBSA-N 0 1 386.420 0.134 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573779298 949057730 /nfs/dbraw/zinc/05/77/30/949057730.db2.gz GNWNMDBCOLLNGI-NSHDSACASA-N 0 1 382.432 0.300 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575504073 949058952 /nfs/dbraw/zinc/05/89/52/949058952.db2.gz ROZORROJGBGMRG-NSHDSACASA-N 0 1 381.400 0.002 20 0 GCADMN CC(C)c1occc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574441452 949058885 /nfs/dbraw/zinc/05/88/85/949058885.db2.gz LCLURMQPPSYSDA-LLVKDONJSA-N 0 1 386.416 0.340 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573779297 949059496 /nfs/dbraw/zinc/05/94/96/949059496.db2.gz GNWNMDBCOLLNGI-LLVKDONJSA-N 0 1 382.432 0.300 20 0 GCADMN CC(C)c1occc1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001574441652 949066574 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20 0 GCADMN C[C@@H](CN(C)C(=O)C(C)(C)C1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574694675 949088290 /nfs/dbraw/zinc/08/82/90/949088290.db2.gz UGSOOIBXACEBCP-LBPRGKRZSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@@H](CNC(=O)COC[C@H]1CCCO1)CNc1ccncc1-c1nn[nH]n1 ZINC001574929263 949088905 /nfs/dbraw/zinc/08/89/05/949088905.db2.gz BQUCEDXDQKCNSL-CHWSQXEVSA-N 0 1 375.433 0.043 20 0 GCADMN CC(C)(C(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F)S(C)(=O)=O ZINC001573780987 949098435 /nfs/dbraw/zinc/09/84/35/949098435.db2.gz ADEJOILEBBYDKA-UHFFFAOYSA-N 0 1 384.437 0.035 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(F)F ZINC001573781475 949109249 /nfs/dbraw/zinc/10/92/49/949109249.db2.gz HQCXCQSKGGAEGZ-SECBINFHSA-N 0 1 382.375 0.269 20 0 GCADMN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574931170 949113135 /nfs/dbraw/zinc/11/31/35/949113135.db2.gz OCDXLZXQBNKLEA-WFASDCNBSA-N 0 1 392.435 0.796 20 0 GCADMN C[C@@H](NC(=O)[C@@H](C)n1cncn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575251017 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1 380.474 0.670 20 0 GCADMN C[C@H](CNC(=O)CO[C@H]1CCOC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932370 949143299 /nfs/dbraw/zinc/14/32/99/949143299.db2.gz YNUJOYQPXHZRIT-NEPJUHHUSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602793190 971554239 /nfs/dbraw/zinc/55/42/39/971554239.db2.gz TVANWCKYRWYAMT-MNUAXYBXSA-N 0 1 376.409 0.364 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602793192 971554393 /nfs/dbraw/zinc/55/43/93/971554393.db2.gz TVANWCKYRWYAMT-QJNYJZHLSA-N 0 1 376.409 0.364 20 0 GCADMN CC(C)c1ocnc1C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447139 949153063 /nfs/dbraw/zinc/15/30/63/949153063.db2.gz HSDNYYQNEDJSFN-UHFFFAOYSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)c1ocnc1C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447153 949154126 /nfs/dbraw/zinc/15/41/26/949154126.db2.gz IQCPCPLTFWGUPT-UHFFFAOYSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)c1ocnc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447321 949158239 /nfs/dbraw/zinc/15/82/39/949158239.db2.gz KZZXQLINYVSABO-NSHDSACASA-N 0 1 383.416 0.907 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575252254 949159930 /nfs/dbraw/zinc/15/99/30/949159930.db2.gz PXMWOCRMUBLIQT-QWHCGFSZSA-N 0 1 388.476 0.100 20 0 GCADMN CC(C)c1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574447620 949164912 /nfs/dbraw/zinc/16/49/12/949164912.db2.gz UZZKYDFHPNJVGI-SNVBAGLBSA-N 0 1 391.457 0.920 20 0 GCADMN CC(C)c1ocnc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574447620 949164926 /nfs/dbraw/zinc/16/49/26/949164926.db2.gz UZZKYDFHPNJVGI-SNVBAGLBSA-N 0 1 391.457 0.920 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574697959 949167028 /nfs/dbraw/zinc/16/70/28/949167028.db2.gz DNKLDWNSCATNAM-OCCSQVGLSA-N 0 1 384.419 0.918 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573787332 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0 1 378.387 0.917 20 0 GCADMN CC(C)n1nccc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574469825 949485779 /nfs/dbraw/zinc/48/57/79/949485779.db2.gz HSSNGIZRKXHSEI-VXGBXAGGSA-N 0 1 382.432 0.429 20 0 GCADMN CC(C)n1ncnc1CNC[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574470295 949493172 /nfs/dbraw/zinc/49/31/72/949493172.db2.gz AVQQSDDFUOIKSG-AULYBMBSSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574708858 949500996 /nfs/dbraw/zinc/50/09/96/949500996.db2.gz XWGKHXBAKROFQS-SMDDNHRTSA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)(C)[C@H](CNC(=O)CN1CCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573807999 949504554 /nfs/dbraw/zinc/50/45/54/949504554.db2.gz BZKLZHAPLMLBRD-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@]1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575537788 949505053 /nfs/dbraw/zinc/50/50/53/949505053.db2.gz XTBJEUFUTSBBMW-XOBRGWDASA-N 0 1 390.451 0.996 20 0 GCADMN CC(C)(C)[C@@H](CNC(=O)CN1CCCC1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573808001 949505104 /nfs/dbraw/zinc/50/51/04/949505104.db2.gz BZKLZHAPLMLBRD-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159032 949510068 /nfs/dbraw/zinc/51/00/68/949510068.db2.gz VYRCGYLPUKFXMH-DIFFPNOSSA-N 0 1 382.432 0.593 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCc2cccnc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574710883 949515343 /nfs/dbraw/zinc/51/53/43/949515343.db2.gz BSOCERGJRKFBHY-AAEUAGOBSA-N 0 1 379.428 0.462 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574121926 949516115 /nfs/dbraw/zinc/51/61/15/949516115.db2.gz RVLXJXWQLQWGNO-OLZOCXBDSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871753 949519357 /nfs/dbraw/zinc/51/93/57/949519357.db2.gz BXLUDFYXSKTYEM-OCCSQVGLSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871753 949519366 /nfs/dbraw/zinc/51/93/66/949519366.db2.gz BXLUDFYXSKTYEM-OCCSQVGLSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871752 949520987 /nfs/dbraw/zinc/52/09/87/949520987.db2.gz BXLUDFYXSKTYEM-JSGCOSHPSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871752 949521002 /nfs/dbraw/zinc/52/10/02/949521002.db2.gz BXLUDFYXSKTYEM-JSGCOSHPSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCNC(=O)C1 ZINC001575538422 949521231 /nfs/dbraw/zinc/52/12/31/949521231.db2.gz GYOJKVKDMRASRY-SGTLLEGYSA-N 0 1 384.444 0.003 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001574122458 949524808 /nfs/dbraw/zinc/52/48/08/949524808.db2.gz WYPYZPZTFQDFGF-UHFFFAOYSA-N 0 1 388.476 0.709 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1COCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711152 949527205 /nfs/dbraw/zinc/52/72/05/949527205.db2.gz DSSIXDONTZYXOE-XHDPSFHLSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872063 949532317 /nfs/dbraw/zinc/53/23/17/949532317.db2.gz FQIJHHRDESKWHZ-JSGCOSHPSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872063 949532330 /nfs/dbraw/zinc/53/23/30/949532330.db2.gz FQIJHHRDESKWHZ-JSGCOSHPSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)n1ncnc1CN[C@H]1C[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574471852 949536031 /nfs/dbraw/zinc/53/60/31/949536031.db2.gz NPUXXULYAQSLLA-TXEJJXNPSA-N 0 1 384.448 0.665 20 0 GCADMN CC(C)n1ncnc1CN[C@H]1C[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574471465 949537767 /nfs/dbraw/zinc/53/77/67/949537767.db2.gz MVTUIGJYPUDQJZ-BJHJDKERSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@H](CC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574472154 949543079 /nfs/dbraw/zinc/54/30/79/949543079.db2.gz QRFPILBUWNNILR-OLZOCXBDSA-N 0 1 383.460 0.870 20 0 GCADMN C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574472226 949546321 /nfs/dbraw/zinc/54/63/21/949546321.db2.gz SJJUBCVBAAFANJ-WHXUTIOJSA-N 0 1 392.489 0.454 20 0 GCADMN C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574472226 949546334 /nfs/dbraw/zinc/54/63/34/949546334.db2.gz SJJUBCVBAAFANJ-WHXUTIOJSA-N 0 1 392.489 0.454 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccc(F)cc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711632 949547164 /nfs/dbraw/zinc/54/71/64/949547164.db2.gz JQOBCVMMKTVXTM-IINYFYTJSA-N 0 1 382.403 0.816 20 0 GCADMN C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164566 949559406 /nfs/dbraw/zinc/55/94/06/949559406.db2.gz HKWHCALRVKYIMS-KGLIPLIRSA-N 0 1 388.476 0.934 20 0 GCADMN C[C@H]1CCCCN1C(=O)CNC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001576164978 949563901 /nfs/dbraw/zinc/56/39/01/949563901.db2.gz JBNYXQSQZLIPGV-LBPRGKRZSA-N 0 1 386.460 0.448 20 0 GCADMN C[C@@H]1CCCCN1C(=O)CNC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001576164977 949565489 /nfs/dbraw/zinc/56/54/89/949565489.db2.gz JBNYXQSQZLIPGV-GFCCVEGCSA-N 0 1 386.460 0.448 20 0 GCADMN CC1(C(=O)N2CCC[C@H](N(CCO)c3ccnc(-c4nn[nH]n4)n3)C2)CCC1 ZINC001575540676 949572939 /nfs/dbraw/zinc/57/29/39/949572939.db2.gz ZBQPXHPMGPRMSC-ZDUSSCGKSA-N 0 1 386.460 0.637 20 0 GCADMN CC(C)C[C@@H](C(N)=O)C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574124667 949573863 /nfs/dbraw/zinc/57/38/63/949573863.db2.gz JBLGVCWGVYQPES-BPCQOVAHSA-N 0 1 386.460 0.138 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873308 949575327 /nfs/dbraw/zinc/57/53/27/949575327.db2.gz BFJLXGJUOXJHAK-OCCSQVGLSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873308 949575350 /nfs/dbraw/zinc/57/53/50/949575350.db2.gz BFJLXGJUOXJHAK-OCCSQVGLSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)C[C@@H](C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125468 949586816 /nfs/dbraw/zinc/58/68/16/949586816.db2.gz PUGIVZKFHBDJCA-ZDUSSCGKSA-N 0 1 384.448 0.481 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712937 949594163 /nfs/dbraw/zinc/59/41/63/949594163.db2.gz VJGWHOACFCFUQL-AAEUAGOBSA-N 0 1 379.428 0.147 20 0 GCADMN C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873976 949594481 /nfs/dbraw/zinc/59/44/81/949594481.db2.gz DCXYWMQIMFJOSU-GXTWGEPZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873976 949594505 /nfs/dbraw/zinc/59/45/05/949594505.db2.gz DCXYWMQIMFJOSU-GXTWGEPZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873978 949596224 /nfs/dbraw/zinc/59/62/24/949596224.db2.gz DCXYWMQIMFJOSU-OCCSQVGLSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873978 949596244 /nfs/dbraw/zinc/59/62/44/949596244.db2.gz DCXYWMQIMFJOSU-OCCSQVGLSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574713254 949598174 /nfs/dbraw/zinc/59/81/74/949598174.db2.gz WQZYMJPGUMATMV-BXUZGUMPSA-N 0 1 380.412 0.341 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574713260 949598362 /nfs/dbraw/zinc/59/83/62/949598362.db2.gz WQZYMJPGUMATMV-RISCZKNCSA-N 0 1 380.412 0.341 20 0 GCADMN CC(C)C[C@H](C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574126071 949599327 /nfs/dbraw/zinc/59/93/27/949599327.db2.gz YTSQVQBQVRHTIZ-CYBMUJFWSA-N 0 1 384.448 0.433 20 0 GCADMN C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575270913 949603821 /nfs/dbraw/zinc/60/38/21/949603821.db2.gz HCSDUHACKCCQMM-NSHDSACASA-N 0 1 389.435 0.598 20 0 GCADMN C[C@H](NC(=O)CCNC(N)=O)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575270932 949606833 /nfs/dbraw/zinc/60/68/33/949606833.db2.gz HOEHDPBDKTZZRE-RYUDHWBXSA-N 0 1 387.448 0.041 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001575546633 949614607 /nfs/dbraw/zinc/61/46/07/949614607.db2.gz RKGLGGLCKPUXEG-XIKOKIGWSA-N 0 1 384.444 0.003 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1ncnn1 ZINC001573812654 949621965 /nfs/dbraw/zinc/62/19/65/949621965.db2.gz SPTSOFQDWXWGAJ-GFCCVEGCSA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1ncnn1 ZINC001573812654 949621974 /nfs/dbraw/zinc/62/19/74/949621974.db2.gz SPTSOFQDWXWGAJ-GFCCVEGCSA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573813199 949626388 /nfs/dbraw/zinc/62/63/88/949626388.db2.gz WSXDMGMHFUATFP-WCQYABFASA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573813199 949626396 /nfs/dbraw/zinc/62/63/96/949626396.db2.gz WSXDMGMHFUATFP-WCQYABFASA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573813200 949626456 /nfs/dbraw/zinc/62/64/56/949626456.db2.gz WSXDMGMHFUATFP-YPMHNXCESA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001573813200 949626460 /nfs/dbraw/zinc/62/64/60/949626460.db2.gz WSXDMGMHFUATFP-YPMHNXCESA-N 0 1 391.501 0.827 20 0 GCADMN C[C@@H](NC(=O)CCNC(N)=O)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575272086 949632401 /nfs/dbraw/zinc/63/24/01/949632401.db2.gz NHRZUHJZEJATIA-RITPCOANSA-N 0 1 387.857 0.340 20 0 GCADMN C[C@@H](NC(=O)CCCC(N)=O)[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575272144 949637081 /nfs/dbraw/zinc/63/70/81/949637081.db2.gz NZNTVEIIUUNIJK-RNFRBKRXSA-N 0 1 386.869 0.937 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)COCC(F)F ZINC001573814247 949639079 /nfs/dbraw/zinc/63/90/79/949639079.db2.gz CGKZEHASCPPBRS-VIFPVBQESA-N 0 1 384.391 0.303 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccon1 ZINC001573815527 949652214 /nfs/dbraw/zinc/65/22/14/949652214.db2.gz IFNPNNSUGPTBHM-LBPRGKRZSA-N 0 1 385.432 0.642 20 0 GCADMN C[C@H](CN(C)C(=O)CCCC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574715394 949652258 /nfs/dbraw/zinc/65/22/58/949652258.db2.gz BTOZFPRNFWDNSY-SSDOTTSWSA-N 0 1 386.869 0.891 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575876830 949652743 /nfs/dbraw/zinc/65/27/43/949652743.db2.gz YPFSIJZSHFHBCW-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575876830 949652757 /nfs/dbraw/zinc/65/27/57/949652757.db2.gz YPFSIJZSHFHBCW-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001573815827 949655619 /nfs/dbraw/zinc/65/56/19/949655619.db2.gz KJAFGAWMGOLUGB-WXRRBKDZSA-N 0 1 388.476 0.573 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1[C@@H]2COC[C@@H]21)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574958160 949656854 /nfs/dbraw/zinc/65/68/54/949656854.db2.gz MSAKFLPICNUFAO-RBXMUDONSA-N 0 1 383.865 0.810 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575273044 949660144 /nfs/dbraw/zinc/66/01/44/949660144.db2.gz UYIVQWMDQPWELK-UONOGXRCSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575273044 949660155 /nfs/dbraw/zinc/66/01/55/949660155.db2.gz UYIVQWMDQPWELK-UONOGXRCSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CNCc1nccn1C ZINC001576169095 949663304 /nfs/dbraw/zinc/66/33/04/949663304.db2.gz FDQSZLRVVIDQPE-WFASDCNBSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574958422 949669419 /nfs/dbraw/zinc/66/94/19/949669419.db2.gz JIOWPTSJYPOTHH-QJPTWQEYSA-N 0 1 382.432 0.135 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573816120 949670647 /nfs/dbraw/zinc/67/06/47/949670647.db2.gz OMDUFFQPCOQHDA-QWHCGFSZSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169233 949672811 /nfs/dbraw/zinc/67/28/11/949672811.db2.gz FVEPUAGNPQCDAC-HIFRSBDPSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575548390 949673755 /nfs/dbraw/zinc/67/37/55/949673755.db2.gz ZDUBVNHBWXVOLB-PXAZEXFGSA-N 0 1 392.485 0.672 20 0 GCADMN C[C@]1(C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575548390 949673769 /nfs/dbraw/zinc/67/37/69/949673769.db2.gz ZDUBVNHBWXVOLB-PXAZEXFGSA-N 0 1 392.485 0.672 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575878204 949675900 /nfs/dbraw/zinc/67/59/00/949675900.db2.gz NWPOSHLGHXFHHA-BXUZGUMPSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574477791 949679618 /nfs/dbraw/zinc/67/96/18/949679618.db2.gz RWNZHFAXMYFRPT-GFCCVEGCSA-N 0 1 386.416 0.098 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)NC(N)=O ZINC001574477930 949684656 /nfs/dbraw/zinc/68/46/56/949684656.db2.gz WKDCHPJZFSRCHE-WFASDCNBSA-N 0 1 386.460 0.346 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574716148 949685878 /nfs/dbraw/zinc/68/58/78/949685878.db2.gz NEYKAPJHDUGEDD-NEPJUHHUSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574716148 949685887 /nfs/dbraw/zinc/68/58/87/949685887.db2.gz NEYKAPJHDUGEDD-NEPJUHHUSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575880617 949703422 /nfs/dbraw/zinc/70/34/22/949703422.db2.gz UZACTVLNHOQRTJ-GXFFZTMASA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001574478207 949705574 /nfs/dbraw/zinc/70/55/74/949705574.db2.gz WGLHEJFMFXBWOM-CZUORRHYSA-N 0 1 389.460 0.122 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574478376 949705624 /nfs/dbraw/zinc/70/56/24/949705624.db2.gz YWHXVEJEKBKEDB-NWDGAFQWSA-N 0 1 386.416 0.097 20 0 GCADMN C[C@@H]1CCCC[C@@H]1CC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170235 949710364 /nfs/dbraw/zinc/71/03/64/949710364.db2.gz LBYQWHVBQPOFAN-ZIAGYGMSSA-N 0 1 388.476 0.528 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170495 949718096 /nfs/dbraw/zinc/71/80/96/949718096.db2.gz LJHVIPLRXQCNFK-JSGCOSHPSA-N 0 1 382.428 0.953 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)COCC(F)F ZINC001573818258 949725751 /nfs/dbraw/zinc/72/57/51/949725751.db2.gz JDJRXIIDSCYWOS-LBPRGKRZSA-N 0 1 383.403 0.908 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)COCC(F)F ZINC001573818257 949727187 /nfs/dbraw/zinc/72/71/87/949727187.db2.gz JDJRXIIDSCYWOS-GFCCVEGCSA-N 0 1 383.403 0.908 20 0 GCADMN C[C@@H](CN(C)C(=O)CCCC1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574717246 949727031 /nfs/dbraw/zinc/72/70/31/949727031.db2.gz OKGVPWRTUNFRHF-ZDUSSCGKSA-N 0 1 388.476 0.934 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001575558019 949731651 /nfs/dbraw/zinc/73/16/51/949731651.db2.gz MRFPVJNYKVQNQU-GFCCVEGCSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1CCN1CCCC1=O ZINC001575881892 949738218 /nfs/dbraw/zinc/73/82/18/949738218.db2.gz CWRYXZPSUXCCOE-GXTWGEPZSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H](C)c1cnn(C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717681 949738913 /nfs/dbraw/zinc/73/89/13/949738913.db2.gz WJHYIVJUQAWBSZ-CHWSQXEVSA-N 0 1 383.460 0.870 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CCCC1=O ZINC001573818701 949739142 /nfs/dbraw/zinc/73/91/42/949739142.db2.gz OKDNOADCMPGEFA-AWEZNQCLSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)NC(N)=O ZINC001574479694 949740927 /nfs/dbraw/zinc/74/09/27/949740927.db2.gz FQKUIPMLVGSNTN-GXFFZTMASA-N 0 1 390.423 0.143 20 0 GCADMN CC(C)C[C@@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574136381 949744692 /nfs/dbraw/zinc/74/46/92/949744692.db2.gz PAQYXUFHIKRMDG-KGLIPLIRSA-N 0 1 390.492 0.985 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574480508 949751531 /nfs/dbraw/zinc/75/15/31/949751531.db2.gz JHYQIEVTCHTPIF-KZULUSFZSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574480507 949754181 /nfs/dbraw/zinc/75/41/81/949754181.db2.gz JHYQIEVTCHTPIF-KPZWWZAWSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718064 949756461 /nfs/dbraw/zinc/75/64/61/949756461.db2.gz RWAFTCHYTNZXKM-WDEREUQCSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718064 949756479 /nfs/dbraw/zinc/75/64/79/949756479.db2.gz RWAFTCHYTNZXKM-WDEREUQCSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718060 949756810 /nfs/dbraw/zinc/75/68/10/949756810.db2.gz RWAFTCHYTNZXKM-GHMZBOCLSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718060 949756823 /nfs/dbraw/zinc/75/68/23/949756823.db2.gz RWAFTCHYTNZXKM-GHMZBOCLSA-N 0 1 377.474 0.391 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001573819803 949759445 /nfs/dbraw/zinc/75/94/45/949759445.db2.gz VOTJHIWLBZVBPL-RISCZKNCSA-N 0 1 387.444 0.580 20 0 GCADMN CCCC[N@@H+](C)CCNC(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001589648269 949761277 /nfs/dbraw/zinc/76/12/77/949761277.db2.gz SJTWINIGCQDTAP-GOSISDBHSA-N 0 1 387.477 0.925 20 0 GCADMN C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171499 949768533 /nfs/dbraw/zinc/76/85/33/949768533.db2.gz RGQCZJUXEVROJE-VVSAWPALSA-N 0 1 384.444 0.010 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574481382 949775035 /nfs/dbraw/zinc/77/50/35/949775035.db2.gz PAMFORQMTGTWTD-UONOGXRCSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481711 949798857 /nfs/dbraw/zinc/79/88/57/949798857.db2.gz UJCYZWFWDVMPOA-MNOVXSKESA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481711 949798870 /nfs/dbraw/zinc/79/88/70/949798870.db2.gz UJCYZWFWDVMPOA-MNOVXSKESA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281285 949807194 /nfs/dbraw/zinc/80/71/94/949807194.db2.gz FGVAAECLQQIKGU-RYUDHWBXSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281285 949807217 /nfs/dbraw/zinc/80/72/17/949807217.db2.gz FGVAAECLQQIKGU-RYUDHWBXSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574721177 949809013 /nfs/dbraw/zinc/80/90/13/949809013.db2.gz JZWYFOHNTNZATR-CYBMUJFWSA-N 0 1 381.444 0.755 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575281771 949815563 /nfs/dbraw/zinc/81/55/63/949815563.db2.gz APOZUWVVKNFFAM-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575281771 949815580 /nfs/dbraw/zinc/81/55/80/949815580.db2.gz APOZUWVVKNFFAM-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575281771 949815600 /nfs/dbraw/zinc/81/56/00/949815600.db2.gz APOZUWVVKNFFAM-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1)C1CC1 ZINC001574481973 949815604 /nfs/dbraw/zinc/81/56/04/949815604.db2.gz YHBVRKMVSXVYTD-DJJJIMSYSA-N 0 1 385.472 0.885 20 0 GCADMN C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574965976 949828693 /nfs/dbraw/zinc/82/86/93/949828693.db2.gz QPWUVBASTNPQNU-JTQLQIEISA-N 0 1 384.448 0.932 20 0 GCADMN CC1(C(=O)N[C@@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575563411 949838691 /nfs/dbraw/zinc/83/86/91/949838691.db2.gz KIGDLBIQEKPMFH-QWHCGFSZSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](NC(=O)CN(C)CCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001575282956 949850131 /nfs/dbraw/zinc/85/01/31/949850131.db2.gz CVQROGXNRDUNAA-LBPRGKRZSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283052 949857240 /nfs/dbraw/zinc/85/72/40/949857240.db2.gz NBIPNNAJSZXXOY-AAEUAGOBSA-N 0 1 392.485 0.670 20 0 GCADMN C[C@@H](NC(=O)COCC1CC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575283155 949861640 /nfs/dbraw/zinc/86/16/40/949861640.db2.gz NYYNCDKLMMIDKU-TZMCWYRMSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574724009 949863799 /nfs/dbraw/zinc/86/37/99/949863799.db2.gz DTMNFQKPYZHQTI-LLVKDONJSA-N 0 1 375.462 0.547 20 0 GCADMN C[C@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574724009 949863818 /nfs/dbraw/zinc/86/38/18/949863818.db2.gz DTMNFQKPYZHQTI-LLVKDONJSA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](NC(=O)CN1CCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283326 949865461 /nfs/dbraw/zinc/86/54/61/949865461.db2.gz FJSKWWASERVVEX-CQSZACIVSA-N 0 1 385.472 0.135 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178041 949877119 /nfs/dbraw/zinc/87/71/19/949877119.db2.gz AOYHQWIBIYTSMX-VHSXEESVSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575283659 949882839 /nfs/dbraw/zinc/88/28/39/949882839.db2.gz GPQYYSHYOARBRZ-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574484592 949889193 /nfs/dbraw/zinc/88/91/93/949889193.db2.gz KLNDBESGJDRIDD-KGLIPLIRSA-N 0 1 386.460 0.901 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178436 949889275 /nfs/dbraw/zinc/88/92/75/949889275.db2.gz BJYZFRPYGGXNNG-AAEUAGOBSA-N 0 1 380.416 0.221 20 0 GCADMN CC(C)C[C@@H](CNC(=O)[C@H]1CCCN1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574143340 949890477 /nfs/dbraw/zinc/89/04/77/949890477.db2.gz GOBLLECIUNCLGW-SWLSCSKDSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179042 949907760 /nfs/dbraw/zinc/90/77/60/949907760.db2.gz DLIYXBNASRCKMM-MLGOLLRUSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H](NC(=O)CN1CCC(C)(C)C1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575284499 949907602 /nfs/dbraw/zinc/90/76/02/949907602.db2.gz IXMWORDPOLALEJ-RYUDHWBXSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574484910 949908578 /nfs/dbraw/zinc/90/85/78/949908578.db2.gz RPDITHDQWMITTF-NWDGAFQWSA-N 0 1 387.448 0.136 20 0 GCADMN C[C@H](CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)NC(N)=O ZINC001574484917 949909568 /nfs/dbraw/zinc/90/95/68/949909568.db2.gz RUXVIQQLZVSJNG-CYBMUJFWSA-N 0 1 386.460 0.348 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)CCOC1 ZINC001575569138 949909642 /nfs/dbraw/zinc/90/96/42/949909642.db2.gz GSUFMCLGJGLYER-KPZWWZAWSA-N 0 1 386.460 0.804 20 0 GCADMN CC(C)C[C@H](C)OCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574144519 949911466 /nfs/dbraw/zinc/91/14/66/949911466.db2.gz OIXKXBTXIAJTGO-UONOGXRCSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001576180189 949942824 /nfs/dbraw/zinc/94/28/24/949942824.db2.gz CRXBGUSYPMEYHL-NEPJUHHUSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@@H](CN(C)C(=O)COCc1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727123 949956347 /nfs/dbraw/zinc/95/63/47/949956347.db2.gz PPAZBIMHBKZBNA-ZDUSSCGKSA-N 0 1 382.428 0.554 20 0 GCADMN CC1(C(=O)NC[C@@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCOCC1 ZINC001575572104 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CC1(C(=O)NCCC2(CNc3ccnc(-c4nn[nH]n4)n3)CC2)CCOCC1 ZINC001575593497 950319340 /nfs/dbraw/zinc/31/93/40/950319340.db2.gz GKUJRNJMZRCKSG-UHFFFAOYSA-N 0 1 386.460 0.594 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574160212 950331463 /nfs/dbraw/zinc/33/14/63/950331463.db2.gz MKGIVBBVQUASSN-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574160212 950331484 /nfs/dbraw/zinc/33/14/84/950331484.db2.gz MKGIVBBVQUASSN-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574160212 950331504 /nfs/dbraw/zinc/33/15/04/950331504.db2.gz MKGIVBBVQUASSN-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574160212 950331524 /nfs/dbraw/zinc/33/15/24/950331524.db2.gz MKGIVBBVQUASSN-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@]1(C(=O)NCCOCCCNc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575594491 950332496 /nfs/dbraw/zinc/33/24/96/950332496.db2.gz UOQVDZJMNZDYMR-GOSISDBHSA-N 0 1 389.460 0.435 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cncn1 ZINC001575907427 950334601 /nfs/dbraw/zinc/33/46/01/950334601.db2.gz OOBNYDFBTKWOIZ-YPMHNXCESA-N 0 1 387.473 0.689 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cncn1 ZINC001575907427 950334622 /nfs/dbraw/zinc/33/46/22/950334622.db2.gz OOBNYDFBTKWOIZ-YPMHNXCESA-N 0 1 387.473 0.689 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574743758 950338731 /nfs/dbraw/zinc/33/87/31/950338731.db2.gz VVSLLFDZQWSJAG-XVMARJQXSA-N 0 1 384.853 0.357 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576194270 950339168 /nfs/dbraw/zinc/33/91/68/950339168.db2.gz YMRWXBLDNFJZIA-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576194270 950339187 /nfs/dbraw/zinc/33/91/87/950339187.db2.gz YMRWXBLDNFJZIA-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576194465 950342328 /nfs/dbraw/zinc/34/23/28/950342328.db2.gz ZBRIAAYNQOCOES-MNOVXSKESA-N 0 1 385.457 0.745 20 0 GCADMN CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)CCc1c[nH]nn1 ZINC001574160597 950342803 /nfs/dbraw/zinc/34/28/03/950342803.db2.gz OVHCAKDPGUQZDJ-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H]1CCN(C(=O)c2nccs2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576194466 950343641 /nfs/dbraw/zinc/34/36/41/950343641.db2.gz ZBRIAAYNQOCOES-QWRGUYRKSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CN1CCOCC1 ZINC001575907988 950345455 /nfs/dbraw/zinc/34/54/55/950345455.db2.gz SGIZYMMRYANCQE-GXTWGEPZSA-N 0 1 391.501 0.339 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CN1CCOCC1 ZINC001575907988 950345475 /nfs/dbraw/zinc/34/54/75/950345475.db2.gz SGIZYMMRYANCQE-GXTWGEPZSA-N 0 1 391.501 0.339 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CN1CCOCC1 ZINC001575907990 950347090 /nfs/dbraw/zinc/34/70/90/950347090.db2.gz SGIZYMMRYANCQE-OCCSQVGLSA-N 0 1 391.501 0.339 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CN1CCOCC1 ZINC001575907990 950347111 /nfs/dbraw/zinc/34/71/11/950347111.db2.gz SGIZYMMRYANCQE-OCCSQVGLSA-N 0 1 391.501 0.339 20 0 GCADMN C[C@@]1(C(=O)NCCNc2ccnc(-c3nn[nH]n3)n2)CCCc2ccccc21 ZINC001575595291 950350379 /nfs/dbraw/zinc/35/03/79/950350379.db2.gz YVOGKFDQQQNDEU-LJQANCHMSA-N 0 1 378.440 0.901 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001573854756 950352724 /nfs/dbraw/zinc/35/27/24/950352724.db2.gz FPEUCFUAZMPUGF-UHFFFAOYSA-N 0 1 386.460 0.257 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576196246 950352562 /nfs/dbraw/zinc/35/25/62/950352562.db2.gz BRAXDYIHBPFLQC-AWEZNQCLSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@]1(C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575595149 950353902 /nfs/dbraw/zinc/35/39/02/950353902.db2.gz NFUJZZGPZIRCKW-IBGZPJMESA-N 0 1 383.456 0.331 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001576196230 950355804 /nfs/dbraw/zinc/35/58/04/950355804.db2.gz BGGCJOCVBFDSNQ-AWEZNQCLSA-N 0 1 385.476 0.213 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573855140 950359599 /nfs/dbraw/zinc/35/95/99/950359599.db2.gz JPMMGIKKCTYCQL-LBPRGKRZSA-N 0 1 388.476 0.694 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576196288 950361725 /nfs/dbraw/zinc/36/17/25/950361725.db2.gz CHTDYADLERJFPK-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc(C(F)F)n[nH]1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574744963 950366250 /nfs/dbraw/zinc/36/62/50/950366250.db2.gz DGMZUEBKPNKHBZ-SSDOTTSWSA-N 0 1 378.347 0.312 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573855353 950369663 /nfs/dbraw/zinc/36/96/63/950369663.db2.gz RIBGTBJDBZMTQJ-LBPRGKRZSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196712 950373231 /nfs/dbraw/zinc/37/32/31/950373231.db2.gz GGRPGXNXODJXLQ-KBPBESRZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccnc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576196987 950376246 /nfs/dbraw/zinc/37/62/46/950376246.db2.gz LBIBTDSULALAIK-CHWSQXEVSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576196987 950376263 /nfs/dbraw/zinc/37/62/63/950376263.db2.gz LBIBTDSULALAIK-CHWSQXEVSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576196987 950376288 /nfs/dbraw/zinc/37/62/88/950376288.db2.gz LBIBTDSULALAIK-CHWSQXEVSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576196956 950377814 /nfs/dbraw/zinc/37/78/14/950377814.db2.gz KHPXVFUAKMKXNX-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576196956 950377839 /nfs/dbraw/zinc/37/78/39/950377839.db2.gz KHPXVFUAKMKXNX-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576196915 950380646 /nfs/dbraw/zinc/38/06/46/950380646.db2.gz JACBDBGLDVEODL-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576196915 950380665 /nfs/dbraw/zinc/38/06/65/950380665.db2.gz JACBDBGLDVEODL-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)NC(N)=O ZINC001574502820 950389184 /nfs/dbraw/zinc/38/91/84/950389184.db2.gz QRFUMLFPNNCWBG-NWDGAFQWSA-N 0 1 387.448 0.041 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576197290 950389840 /nfs/dbraw/zinc/38/98/40/950389840.db2.gz MTSLCNYKGATMCL-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576197290 950389865 /nfs/dbraw/zinc/38/98/65/950389865.db2.gz MTSLCNYKGATMCL-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576197290 950389888 /nfs/dbraw/zinc/38/98/88/950389888.db2.gz MTSLCNYKGATMCL-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576197290 950389906 /nfs/dbraw/zinc/38/99/06/950389906.db2.gz MTSLCNYKGATMCL-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574746241 950392173 /nfs/dbraw/zinc/39/21/73/950392173.db2.gz NAKBIKBKKSJMNT-MRVPVSSYSA-N 0 1 390.358 0.379 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576197905 950394925 /nfs/dbraw/zinc/39/49/25/950394925.db2.gz PLVZAOCJWMMQET-ACJLOTCBSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576197905 950394946 /nfs/dbraw/zinc/39/49/46/950394946.db2.gz PLVZAOCJWMMQET-ACJLOTCBSA-N 0 1 385.476 0.649 20 0 GCADMN CC1(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CCCCC1 ZINC001575597089 950395811 /nfs/dbraw/zinc/39/58/11/950395811.db2.gz XQPIEMSSHSVSQM-ZDUSSCGKSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1ccn(C)n1 ZINC001575909330 950396448 /nfs/dbraw/zinc/39/64/48/950396448.db2.gz YVBDCASBYBQPNG-BXUZGUMPSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1ccn(C)n1 ZINC001575909330 950396467 /nfs/dbraw/zinc/39/64/67/950396467.db2.gz YVBDCASBYBQPNG-BXUZGUMPSA-N 0 1 386.485 0.983 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)CCCN(C)c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001576197917 950398102 /nfs/dbraw/zinc/39/81/02/950398102.db2.gz PMJKWUXCDROZMU-UHFFFAOYSA-N 0 1 387.492 0.673 20 0 GCADMN CC1(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)CCCCC1 ZINC001575597088 950400673 /nfs/dbraw/zinc/40/06/73/950400673.db2.gz XQPIEMSSHSVSQM-CYBMUJFWSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576198086 950402702 /nfs/dbraw/zinc/40/27/02/950402702.db2.gz RXFOBIRKCRMICL-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576198086 950402711 /nfs/dbraw/zinc/40/27/11/950402711.db2.gz RXFOBIRKCRMICL-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)C1 ZINC001576198079 950405329 /nfs/dbraw/zinc/40/53/29/950405329.db2.gz RUTFGJKHWKPQFO-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)C1 ZINC001576198079 950405345 /nfs/dbraw/zinc/40/53/45/950405345.db2.gz RUTFGJKHWKPQFO-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)C1 ZINC001576198079 950405363 /nfs/dbraw/zinc/40/53/63/950405363.db2.gz RUTFGJKHWKPQFO-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)C1 ZINC001576198079 950405376 /nfs/dbraw/zinc/40/53/76/950405376.db2.gz RUTFGJKHWKPQFO-QWHCGFSZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H](CC(=O)NC/C=C\CNCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574503278 950407018 /nfs/dbraw/zinc/40/70/18/950407018.db2.gz UDCZFSNQVFYBJX-OTDNITJGSA-N 0 1 390.423 0.215 20 0 GCADMN C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576198433 950407974 /nfs/dbraw/zinc/40/79/74/950407974.db2.gz SPPNDXIADPZALI-ZFWWWQNUSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576198468 950409409 /nfs/dbraw/zinc/40/94/09/950409409.db2.gz TUBZRSFXZSUSSA-ZIAGYGMSSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)(C)OC(=O)NCCN(CCO)C[C@H](O)c1cccc(-c2nn[nH]n2)c1 ZINC001573860016 950411931 /nfs/dbraw/zinc/41/19/31/950411931.db2.gz ACKNKJLFMSSNPL-HNNXBMFYSA-N 0 1 392.460 0.719 20 0 GCADMN CC(C)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576198873 950412683 /nfs/dbraw/zinc/41/26/83/950412683.db2.gz WDMTYNXJSGJYJP-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1nccnc1-c1nnn[n-]1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576198873 950412697 /nfs/dbraw/zinc/41/26/97/950412697.db2.gz WDMTYNXJSGJYJP-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576198873 950412714 /nfs/dbraw/zinc/41/27/14/950412714.db2.gz WDMTYNXJSGJYJP-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1nccnc1-c1nn[n-]n1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576198873 950412733 /nfs/dbraw/zinc/41/27/33/950412733.db2.gz WDMTYNXJSGJYJP-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576198861 950414343 /nfs/dbraw/zinc/41/43/43/950414343.db2.gz WASHWEZCLVDTKS-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576198861 950414355 /nfs/dbraw/zinc/41/43/55/950414355.db2.gz WASHWEZCLVDTKS-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576198861 950414367 /nfs/dbraw/zinc/41/43/67/950414367.db2.gz WASHWEZCLVDTKS-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576198861 950414375 /nfs/dbraw/zinc/41/43/75/950414375.db2.gz WASHWEZCLVDTKS-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576198913 950420423 /nfs/dbraw/zinc/42/04/23/950420423.db2.gz WQCCYTVUOVASSJ-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576198913 950420432 /nfs/dbraw/zinc/42/04/32/950420432.db2.gz WQCCYTVUOVASSJ-KBPBESRZSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576199308 950423133 /nfs/dbraw/zinc/42/31/33/950423133.db2.gz YHHIXYGIIWDJGS-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001576199308 950423145 /nfs/dbraw/zinc/42/31/45/950423145.db2.gz YHHIXYGIIWDJGS-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576199446 950423728 /nfs/dbraw/zinc/42/37/28/950423728.db2.gz YWGYTMOGXUDKNX-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576199446 950423744 /nfs/dbraw/zinc/42/37/44/950423744.db2.gz YWGYTMOGXUDKNX-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576199456 950423929 /nfs/dbraw/zinc/42/39/29/950423929.db2.gz ZBMXJPJDPHMISM-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576199456 950423944 /nfs/dbraw/zinc/42/39/44/950423944.db2.gz ZBMXJPJDPHMISM-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576199456 950423954 /nfs/dbraw/zinc/42/39/54/950423954.db2.gz ZBMXJPJDPHMISM-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576199456 950423959 /nfs/dbraw/zinc/42/39/59/950423959.db2.gz ZBMXJPJDPHMISM-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](NC(=O)CN1CCC(C)CC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576202849 950434164 /nfs/dbraw/zinc/43/41/64/950434164.db2.gz CYFPCVFKHWAAIG-OLZOCXBDSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](CC(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001574506619 950436611 /nfs/dbraw/zinc/43/66/11/950436611.db2.gz AXAFODGJZNXOKH-OLZOCXBDSA-N 0 1 381.444 0.974 20 0 GCADMN CC1CCN(CC(=O)N[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001576203361 950444079 /nfs/dbraw/zinc/44/40/79/950444079.db2.gz GWJKPUIIOJYRQJ-AWEZNQCLSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C(C)(C)C)C1 ZINC001576203359 950445365 /nfs/dbraw/zinc/44/53/65/950445365.db2.gz GVZPIYVBZAZZBX-QWHCGFSZSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H](CNc2nccnc2-c2nn[n-]n2)C(C)(C)C)C1 ZINC001576203359 950445375 /nfs/dbraw/zinc/44/53/75/950445375.db2.gz GVZPIYVBZAZZBX-QWHCGFSZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]CCn2cnc(-c3nn[n-]n3)n2)C12CCC2 ZINC001573861300 950445952 /nfs/dbraw/zinc/44/59/52/950445952.db2.gz XOYXCVDKWUIHFC-NWDGAFQWSA-N 0 1 389.464 0.884 20 0 GCADMN C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576204049 950452986 /nfs/dbraw/zinc/45/29/86/950452986.db2.gz KISAGKKWJUKUOJ-UKRRQHHQSA-N 0 1 385.476 0.647 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@]2(C)CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576204052 950454366 /nfs/dbraw/zinc/45/43/66/950454366.db2.gz KLHNFWCNEONLMN-GOSISDBHSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575605577 950467219 /nfs/dbraw/zinc/46/72/19/950467219.db2.gz MTKDRGQEEMMQLN-VGTOOOLASA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC(=O)C1 ZINC001575605577 950467231 /nfs/dbraw/zinc/46/72/31/950467231.db2.gz MTKDRGQEEMMQLN-VGTOOOLASA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576204667 950469405 /nfs/dbraw/zinc/46/94/05/950469405.db2.gz RELSGUAJSAFEGH-HIFRSBDPSA-N 0 1 386.460 0.243 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H](CNc3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576204667 950469417 /nfs/dbraw/zinc/46/94/17/950469417.db2.gz RELSGUAJSAFEGH-HIFRSBDPSA-N 0 1 386.460 0.243 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)N(C)c1ccccc1 ZINC001574993993 950470528 /nfs/dbraw/zinc/47/05/28/950470528.db2.gz OHIHOCPKLRAIAX-LBPRGKRZSA-N 0 1 382.428 0.566 20 0 GCADMN C[C@]1(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCC(=O)NC1 ZINC001575605584 950471553 /nfs/dbraw/zinc/47/15/53/950471553.db2.gz NIAGIFNIRBRSRK-KXBFYZLASA-N 0 1 383.456 0.474 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574508874 950486245 /nfs/dbraw/zinc/48/62/45/950486245.db2.gz PSABYCKIOOMCGX-GARJFASQSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574508874 950486253 /nfs/dbraw/zinc/48/62/53/950486253.db2.gz PSABYCKIOOMCGX-GARJFASQSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CNC(=O)c1cc(Br)c[nH]1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574994977 950496410 /nfs/dbraw/zinc/49/64/10/950496410.db2.gz BMPPEBYXWSGUSA-SSDOTTSWSA-N 0 1 392.221 0.400 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574995259 950501409 /nfs/dbraw/zinc/50/14/09/950501409.db2.gz CPNMMSIXBPWKPX-JTQLQIEISA-N 0 1 384.448 0.932 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574753023 950508975 /nfs/dbraw/zinc/50/89/75/950508975.db2.gz IJJSNGGMAOLTPA-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccc(C(N)=O)[nH]1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574753023 950508998 /nfs/dbraw/zinc/50/89/98/950508998.db2.gz IJJSNGGMAOLTPA-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576205269 950509580 /nfs/dbraw/zinc/50/95/80/950509580.db2.gz IDZZZYSEHPJXQS-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576205269 950509592 /nfs/dbraw/zinc/50/95/92/950509592.db2.gz IDZZZYSEHPJXQS-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575608071 950511211 /nfs/dbraw/zinc/51/12/11/950511211.db2.gz MTKDRGQEEMMQLN-CZIZLABSSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC(=O)C1 ZINC001575608071 950511228 /nfs/dbraw/zinc/51/12/28/950511228.db2.gz MTKDRGQEEMMQLN-CZIZLABSSA-N 0 1 389.485 0.581 20 0 GCADMN CC1CC[NH+](CC(=O)NC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001576205394 950512279 /nfs/dbraw/zinc/51/22/79/950512279.db2.gz IKGROBBHCXETHN-AWEZNQCLSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1ccncc1-c1nn[nH]n1 ZINC001574996025 950519930 /nfs/dbraw/zinc/51/99/30/950519930.db2.gz JVFSNSGYRKWOHH-LLVKDONJSA-N 0 1 383.460 0.945 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1nc2ccccc2n1C ZINC001574995990 950521896 /nfs/dbraw/zinc/52/18/96/950521896.db2.gz JFQUWVBXWOILKQ-NSHDSACASA-N 0 1 379.428 0.990 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574509772 950530658 /nfs/dbraw/zinc/53/06/58/950530658.db2.gz XWSLVHYFHVCMPH-GUBZILKMSA-N 0 1 384.366 0.974 20 0 GCADMN CC1CC[NH+](CC(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576205675 950532726 /nfs/dbraw/zinc/53/27/26/950532726.db2.gz MJVKYPQACSTQHZ-UHFFFAOYSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)(C)OCC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001573868178 950537039 /nfs/dbraw/zinc/53/70/39/950537039.db2.gz ACMPNQQPEUOBDF-XIKOKIGWSA-N 0 1 386.460 0.757 20 0 GCADMN CC(C)(C)OCC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573868476 950544258 /nfs/dbraw/zinc/54/42/58/950544258.db2.gz CFCSDBZFLBMKOD-ZDUSSCGKSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753823 950547095 /nfs/dbraw/zinc/54/70/95/950547095.db2.gz SYVAAANGKGLQGD-NSHDSACASA-N 0 1 380.412 0.355 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(F)(F)F)no1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574997873 950552852 /nfs/dbraw/zinc/55/28/52/950552852.db2.gz YVRQSASRIGSDEW-ZCFIWIBFSA-N 0 1 383.294 0.316 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574754013 950555414 /nfs/dbraw/zinc/55/54/14/950555414.db2.gz VRWYTUPLLBJXAA-SNVBAGLBSA-N 0 1 388.457 0.272 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574754013 950555438 /nfs/dbraw/zinc/55/54/38/950555438.db2.gz VRWYTUPLLBJXAA-SNVBAGLBSA-N 0 1 388.457 0.272 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001576205998 950556190 /nfs/dbraw/zinc/55/61/90/950556190.db2.gz SNDBUACWSCVKTO-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nnn[n-]2)C1 ZINC001576205998 950556207 /nfs/dbraw/zinc/55/62/07/950556207.db2.gz SNDBUACWSCVKTO-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001576205998 950556228 /nfs/dbraw/zinc/55/62/28/950556228.db2.gz SNDBUACWSCVKTO-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2c2nccnc2-c2nn[n-]n2)C1 ZINC001576205998 950556248 /nfs/dbraw/zinc/55/62/48/950556248.db2.gz SNDBUACWSCVKTO-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)(C)OCC(=O)N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573869176 950557339 /nfs/dbraw/zinc/55/73/39/950557339.db2.gz MCSCFLGZEJHYDG-STQMWFEESA-N 0 1 388.476 0.981 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574998840 950560199 /nfs/dbraw/zinc/56/01/99/950560199.db2.gz BJWYZDODUVHACG-MRVPVSSYSA-N 0 1 391.482 0.997 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(N)=O)cs1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574998840 950560222 /nfs/dbraw/zinc/56/02/22/950560222.db2.gz BJWYZDODUVHACG-MRVPVSSYSA-N 0 1 391.482 0.997 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574998994 950562690 /nfs/dbraw/zinc/56/26/90/950562690.db2.gz CGWIFHRJBCIUPD-MRVPVSSYSA-N 0 1 377.359 0.585 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(F)F)n(C)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001574999272 950571935 /nfs/dbraw/zinc/57/19/35/950571935.db2.gz IDRBRGRLHHYTLJ-VIFPVBQESA-N 0 1 391.386 0.833 20 0 GCADMN CC(C)(C)OCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573869916 950576747 /nfs/dbraw/zinc/57/67/47/950576747.db2.gz RKUJHLGTCKRHAO-AVGNSLFASA-N 0 1 386.460 0.945 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575918135 950584202 /nfs/dbraw/zinc/58/42/02/950584202.db2.gz AOCGOBPWKLWFRG-SFYZADRCSA-N 0 1 391.848 0.904 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1csc(Cl)n1 ZINC001575918136 950585815 /nfs/dbraw/zinc/58/58/15/950585815.db2.gz AOCGOBPWKLWFRG-YUMQZZPRSA-N 0 1 391.848 0.904 20 0 GCADMN CC(C)(C)OCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001573870160 950586975 /nfs/dbraw/zinc/58/69/75/950586975.db2.gz FMNFUKSQLAXOKA-UHFFFAOYSA-N 0 1 389.460 0.576 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574999759 950590471 /nfs/dbraw/zinc/59/04/71/950590471.db2.gz MZJRTMXAWYJXSN-VIFPVBQESA-N 0 1 386.441 0.677 20 0 GCADMN CC(C)(C)OCC(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573870214 950593092 /nfs/dbraw/zinc/59/30/92/950593092.db2.gz GYDAFNJVCFRJAW-LBPRGKRZSA-N 0 1 380.424 0.388 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C2CC2)n(C)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575000060 950594636 /nfs/dbraw/zinc/59/46/36/950594636.db2.gz ORNRZAAFLCAYGP-SNVBAGLBSA-N 0 1 382.432 0.168 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1nccs1 ZINC001574755329 950596383 /nfs/dbraw/zinc/59/63/83/950596383.db2.gz UQSCVBHTBUNJNE-VIFPVBQESA-N 0 1 389.445 0.340 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCN1CCCC1=O ZINC001575918762 950601747 /nfs/dbraw/zinc/60/17/47/950601747.db2.gz DYAQAVFCKCPRRR-TZMCWYRMSA-N 0 1 384.444 0.097 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576207713 950602475 /nfs/dbraw/zinc/60/24/75/950602475.db2.gz IVROZXFBFONZLD-MGPQQGTHSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576207713 950602483 /nfs/dbraw/zinc/60/24/83/950602483.db2.gz IVROZXFBFONZLD-MGPQQGTHSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574758330 950608199 /nfs/dbraw/zinc/60/81/99/950608199.db2.gz AZYLVTJNENOEFN-GFCCVEGCSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(F)F)ncn1)Nc1ccncc1-c1nn[nH]n1 ZINC001575000545 950609459 /nfs/dbraw/zinc/60/94/59/950609459.db2.gz QILHYYYWDUOESA-MRVPVSSYSA-N 0 1 375.343 0.642 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)COCC1CCCC1 ZINC001575919411 950613443 /nfs/dbraw/zinc/61/34/43/950613443.db2.gz HTYSHVCYMZGOFR-OCCSQVGLSA-N 0 1 386.460 0.687 20 0 GCADMN C[C@@H](CNC(=O)c1cc2c([nH]c1=O)CCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575000821 950613498 /nfs/dbraw/zinc/61/34/98/950613498.db2.gz GCNKVHFPGCCZCP-JTQLQIEISA-N 0 1 380.412 0.503 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)NC(N)=O ZINC001574513711 950616534 /nfs/dbraw/zinc/61/65/34/950616534.db2.gz WFUAJKXDIGLVDY-WFASDCNBSA-N 0 1 386.460 0.394 20 0 GCADMN C[C@@H](CNC(=O)c1cc(Cl)n(C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575000915 950617296 /nfs/dbraw/zinc/61/72/96/950617296.db2.gz IBAVVWKTBFAWRO-VIFPVBQESA-N 0 1 375.824 0.903 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc2c([nH]1)CCC2 ZINC001575919676 950619711 /nfs/dbraw/zinc/61/97/11/950619711.db2.gz JRHRPIWVZZCQBR-CMPLNLGQSA-N 0 1 379.428 0.611 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCn1cccn1 ZINC001575919841 950623791 /nfs/dbraw/zinc/62/37/91/950623791.db2.gz KMGSJZBRKNCYMI-HIFRSBDPSA-N 0 1 381.444 0.762 20 0 GCADMN CC1(C)C(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)C1(C)C ZINC001575619902 950628323 /nfs/dbraw/zinc/62/83/23/950628323.db2.gz TWDYPNLUOCOSGT-WDEREUQCSA-N 0 1 386.460 0.395 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574759240 950630245 /nfs/dbraw/zinc/63/02/45/950630245.db2.gz AGSYDQZCTAMSRO-VIFPVBQESA-N 0 1 392.374 0.113 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575920582 950631474 /nfs/dbraw/zinc/63/14/74/950631474.db2.gz MQDTXHULKPNRFM-BDAKNGLRSA-N 0 1 388.823 0.181 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@H]2C[C@H](CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001576213711 950640759 /nfs/dbraw/zinc/64/07/59/950640759.db2.gz HBOSZFNMINBMLI-HDJSIYSDSA-N 0 1 385.476 0.695 20 0 GCADMN CCN1CC[NH+](CCC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])CC1 ZINC001589744148 950641520 /nfs/dbraw/zinc/64/15/20/950641520.db2.gz ADYKPCCPGMPTIS-KRWDZBQOSA-N 0 1 391.468 0.717 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nn[n-]n4)C[C@H]32)C1 ZINC001576213842 950649426 /nfs/dbraw/zinc/64/94/26/950649426.db2.gz JIEWLZBZHXKTHC-ZVZLLHMNSA-N 0 1 385.447 0.898 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3CN(c4cccc(F)c4-c4nn[n-]n4)C[C@H]32)C1 ZINC001576213842 950649440 /nfs/dbraw/zinc/64/94/40/950649440.db2.gz JIEWLZBZHXKTHC-ZVZLLHMNSA-N 0 1 385.447 0.898 20 0 GCADMN C[C@H](CNC(=O)c1cc(C2CC2)nn1C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575002033 950649877 /nfs/dbraw/zinc/64/98/77/950649877.db2.gz YQISICLKGKLDLE-SNVBAGLBSA-N 0 1 382.432 0.522 20 0 GCADMN C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575002057 950651293 /nfs/dbraw/zinc/65/12/93/950651293.db2.gz YSFFSKGAURPEBZ-SNVBAGLBSA-N 0 1 380.412 0.892 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1ccncc1 ZINC001575923273 950654596 /nfs/dbraw/zinc/65/45/96/950654596.db2.gz QDBRWZWDARHWJA-JSGCOSHPSA-N 0 1 379.428 0.508 20 0 GCADMN CC1(C)CC(C(=O)N2CCC[C@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001575623644 950655951 /nfs/dbraw/zinc/65/59/51/950655951.db2.gz FCKLMEXWEOFZCO-IBGZPJMESA-N 0 1 385.472 0.885 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575923330 950658952 /nfs/dbraw/zinc/65/89/52/950658952.db2.gz RAVUCVGVNRHNLF-OCCSQVGLSA-N 0 1 386.460 0.343 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575923312 950660828 /nfs/dbraw/zinc/66/08/28/950660828.db2.gz QVNNKXFDRVANSN-GXSJLCMTSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccnc2ccncc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760292 950662872 /nfs/dbraw/zinc/66/28/72/950662872.db2.gz VJOGISZPLCPFLB-NSHDSACASA-N 0 1 390.411 0.594 20 0 GCADMN C[C@H](CN(C)C(=O)c1cccnc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760525 950667754 /nfs/dbraw/zinc/66/77/54/950667754.db2.gz WNLRAUNWXRXSQV-LLVKDONJSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576214411 950670131 /nfs/dbraw/zinc/67/01/31/950670131.db2.gz ACHZBQZKDVWJQL-RYUDHWBXSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576214412 950670920 /nfs/dbraw/zinc/67/09/20/950670920.db2.gz ACHZBQZKDVWJQL-VXGBXAGGSA-N 0 1 381.444 0.693 20 0 GCADMN CC1(C)C2CCC1(C(=O)NC[C@@H](CO)Nc1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575624869 950675663 /nfs/dbraw/zinc/67/56/63/950675663.db2.gz PUIWXIHUZWWGHI-LASWEOPPSA-N 0 1 386.460 0.184 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575925004 950675915 /nfs/dbraw/zinc/67/59/15/950675915.db2.gz SQUGIKWBZJCROA-GXTWGEPZSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575925010 950676928 /nfs/dbraw/zinc/67/69/28/950676928.db2.gz SQUGIKWBZJCROA-JSGCOSHPSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575924836 950677352 /nfs/dbraw/zinc/67/73/52/950677352.db2.gz FRJUQZUYHSPUOZ-ZWNOBZJWSA-N 0 1 387.835 0.635 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574519444 950681015 /nfs/dbraw/zinc/68/10/15/950681015.db2.gz VZDBISIVXILIJC-WCFLWFBJSA-N 0 1 382.432 0.065 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575925025 950681353 /nfs/dbraw/zinc/68/13/53/950681353.db2.gz SQUGIKWBZJCROA-TZMCWYRMSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575005448 950684607 /nfs/dbraw/zinc/68/46/07/950684607.db2.gz FJAPLYJIQSTCEB-LLVKDONJSA-N 0 1 382.432 0.089 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575005449 950684660 /nfs/dbraw/zinc/68/46/60/950684660.db2.gz FJAPLYJIQSTCEB-NSHDSACASA-N 0 1 382.432 0.089 20 0 GCADMN C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574761000 950687801 /nfs/dbraw/zinc/68/78/01/950687801.db2.gz PYJLIIQRGUGBBH-SNVBAGLBSA-N 0 1 382.432 0.262 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575925709 950688375 /nfs/dbraw/zinc/68/83/75/950688375.db2.gz HXXOQUYLNAPXBL-ZWNOBZJWSA-N 0 1 379.428 0.611 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575005755 950702645 /nfs/dbraw/zinc/70/26/45/950702645.db2.gz MYEKXSBXYTWAAQ-SNVBAGLBSA-N 0 1 388.457 0.815 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575005755 950702655 /nfs/dbraw/zinc/70/26/55/950702655.db2.gz MYEKXSBXYTWAAQ-SNVBAGLBSA-N 0 1 388.457 0.815 20 0 GCADMN C[C@H](CN(C)C(=O)C1=NC(=O)N(C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574762557 950709696 /nfs/dbraw/zinc/70/96/96/950709696.db2.gz YXVJWMVRNXCUMC-MRVPVSSYSA-N 0 1 375.368 0.413 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCO2)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575006001 950711149 /nfs/dbraw/zinc/71/11/49/950711149.db2.gz POZCKNFDKACREO-SNVBAGLBSA-N 0 1 386.391 0.503 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575926722 950719886 /nfs/dbraw/zinc/71/98/86/950719886.db2.gz LEIADFCODOYXCL-WCQYABFASA-N 0 1 379.428 0.541 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575926726 950720440 /nfs/dbraw/zinc/72/04/40/950720440.db2.gz LEIADFCODOYXCL-YPMHNXCESA-N 0 1 379.428 0.541 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574763598 950721210 /nfs/dbraw/zinc/72/12/10/950721210.db2.gz FZYYWFZNURYWIJ-LBPRGKRZSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926741 950721195 /nfs/dbraw/zinc/72/11/95/950721195.db2.gz LICFFFTZBAYMDW-AAEUAGOBSA-N 0 1 379.428 0.541 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926745 950723842 /nfs/dbraw/zinc/72/38/42/950723842.db2.gz LICFFFTZBAYMDW-WCQYABFASA-N 0 1 379.428 0.541 20 0 GCADMN CC(C)(C)c1cc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)no1 ZINC001573879566 950727977 /nfs/dbraw/zinc/72/79/77/950727977.db2.gz FWJNONIGTFNBJO-JTQLQIEISA-N 0 1 386.416 0.172 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576216296 950729591 /nfs/dbraw/zinc/72/95/91/950729591.db2.gz DGJLPSHNTFYFPS-UWVGGRQHSA-N 0 1 380.403 0.876 20 0 GCADMN CC(C)(C)c1cc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)no1 ZINC001573879763 950732370 /nfs/dbraw/zinc/73/23/70/950732370.db2.gz LGXDQIUWKWQYAP-SNVBAGLBSA-N 0 1 386.416 0.172 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576216461 950737425 /nfs/dbraw/zinc/73/74/25/950737425.db2.gz ZMHKGWJHXIOMPU-HDJSIYSDSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575927229 950739996 /nfs/dbraw/zinc/73/99/96/950739996.db2.gz ONIGXEPSQNYVGR-KOLCDFICSA-N 0 1 382.384 0.091 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C(F)(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216629 950742294 /nfs/dbraw/zinc/74/22/94/950742294.db2.gz FAIJBVWWWVYEFI-RKDXNWHRSA-N 0 1 382.350 0.680 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574764148 950743295 /nfs/dbraw/zinc/74/32/95/950743295.db2.gz PYCDGLMRQIJBOO-SECBINFHSA-N 0 1 375.824 0.643 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001576216885 950745550 /nfs/dbraw/zinc/74/55/50/950745550.db2.gz JWMMDNMLPASYNB-NWDGAFQWSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575927647 950748110 /nfs/dbraw/zinc/74/81/10/950748110.db2.gz RFZNGKOAKHDUSJ-JOYOIKCWSA-N 0 1 382.384 0.091 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575927622 950748762 /nfs/dbraw/zinc/74/87/62/950748762.db2.gz QWTXYIVXXHDYOL-DGCLKSJQSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cncnc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764466 950752217 /nfs/dbraw/zinc/75/22/17/950752217.db2.gz UALXVRTWTBPXCD-JTQLQIEISA-N 0 1 380.416 0.319 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764511 950753489 /nfs/dbraw/zinc/75/34/89/950753489.db2.gz UQCFDRQWVIMJLH-NSHDSACASA-N 0 1 382.432 0.573 20 0 GCADMN C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575927693 950753674 /nfs/dbraw/zinc/75/36/74/950753674.db2.gz SHLQYYUDDCTELW-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575927693 950753691 /nfs/dbraw/zinc/75/36/91/950753691.db2.gz SHLQYYUDDCTELW-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575927876 950760708 /nfs/dbraw/zinc/76/07/08/950760708.db2.gz VLHLPEAONDLRLJ-SMDDNHRTSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CN[C@@H](C)c1nnnn1C1CC1 ZINC001575008903 950761537 /nfs/dbraw/zinc/76/15/37/950761537.db2.gz JXZLTKAUSGXOTJ-ZJUUUORDSA-N 0 1 385.436 0.233 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574182489 950761848 /nfs/dbraw/zinc/76/18/48/950761848.db2.gz WSTZJZUFZAEXDQ-QWHCGFSZSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n[nH]nc2c1 ZINC001575927921 950764640 /nfs/dbraw/zinc/76/46/40/950764640.db2.gz WHEHSAVHIHEGMQ-BXKDBHETSA-N 0 1 391.399 0.065 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1cnnn1 ZINC001574521083 950767142 /nfs/dbraw/zinc/76/71/42/950767142.db2.gz CYRJPNDOVWVUOD-WDEREUQCSA-N 0 1 390.477 0.378 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCn1cnnn1 ZINC001574521083 950767154 /nfs/dbraw/zinc/76/71/54/950767154.db2.gz CYRJPNDOVWVUOD-WDEREUQCSA-N 0 1 390.477 0.378 20 0 GCADMN C[C@H]1CCn2cc(C(=O)N(C)CCNc3ccnc(-c4nn[nH]n4)n3)nc2C1 ZINC001576217720 950769416 /nfs/dbraw/zinc/76/94/16/950769416.db2.gz OAYIJZLRUAQMIX-NSHDSACASA-N 0 1 382.432 0.042 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncnc1 ZINC001575928079 950771060 /nfs/dbraw/zinc/77/10/60/950771060.db2.gz YKNDDGBMYJJBBE-SWLSCSKDSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575928163 950775622 /nfs/dbraw/zinc/77/56/22/950775622.db2.gz ZNCMFUNQUXVVRV-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575928163 950775636 /nfs/dbraw/zinc/77/56/36/950775636.db2.gz ZNCMFUNQUXVVRV-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C)c1cc2n(n1)CCN(C(=O)NCCn1cnc(-c3nn[nH]n3)n1)C2 ZINC001573882337 950777222 /nfs/dbraw/zinc/77/72/22/950777222.db2.gz ZQAJGIFMYIHGJQ-UHFFFAOYSA-N 0 1 385.436 0.178 20 0 GCADMN C[C@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575928161 950777563 /nfs/dbraw/zinc/77/75/63/950777563.db2.gz ZNCMFUNQUXVVRV-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575928161 950777577 /nfs/dbraw/zinc/77/75/77/950777577.db2.gz ZNCMFUNQUXVVRV-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576218329 950785372 /nfs/dbraw/zinc/78/53/72/950785372.db2.gz QUYMCBMRAOKFFL-MNOVXSKESA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H](CN(C)[C@H]1CCN(C(C)(C)C)C1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765483 950785966 /nfs/dbraw/zinc/78/59/66/950785966.db2.gz CWCPNDGVXLEONW-FZMZJTMJSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@@H](CN(C)[C@@H]1CCN(C(C)(C)C)C1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765485 950789334 /nfs/dbraw/zinc/78/93/34/950789334.db2.gz CWCPNDGVXLEONW-SMDDNHRTSA-N 0 1 388.476 0.644 20 0 GCADMN CC(C)(C)c1nc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001573884222 950790910 /nfs/dbraw/zinc/79/09/10/950790910.db2.gz BACFAHWIXOZJNK-MGCOHNPYSA-N 0 1 383.416 0.737 20 0 GCADMN CC(C)(C)c1nc[nH]c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884206 950790943 /nfs/dbraw/zinc/79/09/43/950790943.db2.gz APUPGCBPLZLAKL-SNVBAGLBSA-N 0 1 382.432 0.426 20 0 GCADMN CC(C)(C)c1nc(CN2CC[C@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 ZINC001573884273 950793358 /nfs/dbraw/zinc/79/33/58/950793358.db2.gz CCSTUXXPCVXNDV-JTQLQIEISA-N 0 1 384.448 0.615 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CCc1cnc[nH]1 ZINC001574522804 950799831 /nfs/dbraw/zinc/79/98/31/950799831.db2.gz LBXKJVCCGYMGIV-MNOVXSKESA-N 0 1 385.432 0.564 20 0 GCADMN C[C@@H]1CCn2cc(C(=O)N(C)CCNc3ccncc3-c3nn[nH]n3)nc2C1 ZINC001576219853 950813043 /nfs/dbraw/zinc/81/30/43/950813043.db2.gz VSCWXPHOSXQURW-GFCCVEGCSA-N 0 1 381.444 0.647 20 0 GCADMN C[C@@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766701 950826092 /nfs/dbraw/zinc/82/60/92/950826092.db2.gz KJZPWTABFZABPF-QMMMGPOBSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576220699 950835359 /nfs/dbraw/zinc/83/53/59/950835359.db2.gz SKCPJQSPEFRXOJ-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576220699 950835381 /nfs/dbraw/zinc/83/53/81/950835381.db2.gz SKCPJQSPEFRXOJ-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573887984 950859914 /nfs/dbraw/zinc/85/99/14/950859914.db2.gz MHISRBCJZLNNGB-JTQLQIEISA-N 0 1 383.416 0.691 20 0 GCADMN C[C@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576222138 950865146 /nfs/dbraw/zinc/86/51/46/950865146.db2.gz XIELPHDWARVQCQ-UWVGGRQHSA-N 0 1 378.387 0.773 20 0 GCADMN C[C@@H](CN(C)C(=O)c1n[nH]c2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767886 950868224 /nfs/dbraw/zinc/86/82/24/950868224.db2.gz VAHQJAYIYMTEFJ-JTQLQIEISA-N 0 1 378.400 0.528 20 0 GCADMN CC(C)(C)n1cnc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001573893343 950879329 /nfs/dbraw/zinc/87/93/29/950879329.db2.gz AQBGBXHXQSCMAN-JTQLQIEISA-N 0 1 383.420 0.012 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576226848 950893094 /nfs/dbraw/zinc/89/30/94/950893094.db2.gz BANCQKPZUZIWKZ-OLZOCXBDSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227916 950926217 /nfs/dbraw/zinc/92/62/17/950926217.db2.gz FQHRWOJDJZLCHV-STQMWFEESA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227916 950926229 /nfs/dbraw/zinc/92/62/29/950926229.db2.gz FQHRWOJDJZLCHV-STQMWFEESA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228065 950927902 /nfs/dbraw/zinc/92/79/02/950927902.db2.gz IMFRLYMVMRCANE-OCCSQVGLSA-N 0 1 385.476 0.069 20 0 GCADMN CC(C)(C)n1cc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)cn1 ZINC001573894688 950933225 /nfs/dbraw/zinc/93/32/25/950933225.db2.gz YFSWDLDZAFVCFW-CYBMUJFWSA-N 0 1 387.448 0.027 20 0 GCADMN C[C@H]1CN(C(=O)C2(F)CCOCC2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576228355 950939462 /nfs/dbraw/zinc/93/94/62/950939462.db2.gz HOYPUZVLNCDMHL-JSGCOSHPSA-N 0 1 389.435 0.851 20 0 GCADMN CC1(C)C[C@@H]1C(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001575642922 950950073 /nfs/dbraw/zinc/95/00/73/950950073.db2.gz JKGZJVWEMYESGH-XIKOKIGWSA-N 0 1 384.444 0.511 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1nccnc1N ZINC001574529554 950950329 /nfs/dbraw/zinc/95/03/29/950950329.db2.gz RBZAQGBQEKYIQZ-VHSXEESVSA-N 0 1 387.473 0.987 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1nccnc1N ZINC001574529554 950950346 /nfs/dbraw/zinc/95/03/46/950950346.db2.gz RBZAQGBQEKYIQZ-VHSXEESVSA-N 0 1 387.473 0.987 20 0 GCADMN CC(C)(CC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573897388 950962176 /nfs/dbraw/zinc/96/21/76/950962176.db2.gz PAIZWFFUCSJGOG-CYBMUJFWSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-n2ccnc2)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575016851 950965437 /nfs/dbraw/zinc/96/54/37/950965437.db2.gz AYKBSBPUGQSKNW-GFCCVEGCSA-N 0 1 390.411 0.495 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001575938018 950966897 /nfs/dbraw/zinc/96/68/97/950966897.db2.gz IIFDIMCPVYMSKI-STQMWFEESA-N 0 1 386.460 0.899 20 0 GCADMN CC(C)(CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573898158 950974042 /nfs/dbraw/zinc/97/40/42/950974042.db2.gz YJMWJKIOWGQBHB-SFHVURJKSA-N 0 1 386.460 0.540 20 0 GCADMN CC(C)(CC(F)(F)F)C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573899526 950979481 /nfs/dbraw/zinc/97/94/81/950979481.db2.gz BUGFAJGUZOEIPT-SECBINFHSA-N 0 1 387.366 0.551 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576230036 950985191 /nfs/dbraw/zinc/98/51/91/950985191.db2.gz LCYNRNXBEWOMLA-OLZOCXBDSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576230202 950994736 /nfs/dbraw/zinc/99/47/36/950994736.db2.gz LSJAGGPMJUZVLZ-STQMWFEESA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575021044 951059612 /nfs/dbraw/zinc/05/96/12/951059612.db2.gz AMKDEHAVOSCOTH-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575021044 951059624 /nfs/dbraw/zinc/05/96/24/951059624.db2.gz AMKDEHAVOSCOTH-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575022077 951066932 /nfs/dbraw/zinc/06/69/32/951066932.db2.gz GWPZHYTVFOCXJK-VIFPVBQESA-N 0 1 387.375 0.606 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575023517 951079073 /nfs/dbraw/zinc/07/90/73/951079073.db2.gz MTFUYMVGUWULJM-QMMMGPOBSA-N 0 1 391.482 0.997 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575023517 951079086 /nfs/dbraw/zinc/07/90/86/951079086.db2.gz MTFUYMVGUWULJM-QMMMGPOBSA-N 0 1 391.482 0.997 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024416 951102221 /nfs/dbraw/zinc/10/22/21/951102221.db2.gz DEIUTLHJJVJVMW-NSHDSACASA-N 0 1 380.412 0.846 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028183 951170640 /nfs/dbraw/zinc/17/06/40/951170640.db2.gz LXQSZIYLJKPIIR-WDEREUQCSA-N 0 1 380.412 0.632 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028651 951177138 /nfs/dbraw/zinc/17/71/38/951177138.db2.gz PGVRMAHIMHZMDI-LLVKDONJSA-N 0 1 380.412 0.382 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028563 951177858 /nfs/dbraw/zinc/17/78/58/951177858.db2.gz OGIGMOWXQCRFSM-LLVKDONJSA-N 0 1 380.412 0.382 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575029109 951184034 /nfs/dbraw/zinc/18/40/34/951184034.db2.gz ZWEVUPOACRBMLF-LLVKDONJSA-N 0 1 380.412 0.615 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575029110 951185006 /nfs/dbraw/zinc/18/50/06/951185006.db2.gz ZWEVUPOACRBMLF-NSHDSACASA-N 0 1 380.412 0.615 20 0 GCADMN C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575032465 951223343 /nfs/dbraw/zinc/22/33/43/951223343.db2.gz YBGDNJVQBWILMA-GFCCVEGCSA-N 0 1 381.444 0.977 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575036888 951300939 /nfs/dbraw/zinc/30/09/39/951300939.db2.gz YKKVNXSFTHBUAH-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575036888 951300946 /nfs/dbraw/zinc/30/09/46/951300946.db2.gz YKKVNXSFTHBUAH-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575037899 951310305 /nfs/dbraw/zinc/31/03/05/951310305.db2.gz FFJQZYYAIJNNIH-VIFPVBQESA-N 0 1 389.441 0.457 20 0 GCADMN C[C@@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575037899 951310313 /nfs/dbraw/zinc/31/03/13/951310313.db2.gz FFJQZYYAIJNNIH-VIFPVBQESA-N 0 1 389.441 0.457 20 0 GCADMN C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575038812 951326162 /nfs/dbraw/zinc/32/61/62/951326162.db2.gz LUXFWAUZTDHQGD-LLVKDONJSA-N 0 1 384.448 0.863 20 0 GCADMN CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1 ZINC001602868479 971736468 /nfs/dbraw/zinc/73/64/68/971736468.db2.gz KVLJIHSVTUJZKF-UKRRQHHQSA-N 0 1 380.489 0.966 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)NC[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575041952 951353170 /nfs/dbraw/zinc/35/31/70/951353170.db2.gz DTMCKDKZPNEZOU-NSHDSACASA-N 0 1 384.448 0.414 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043411 951388529 /nfs/dbraw/zinc/38/85/29/951388529.db2.gz INMSBCGSLHAISI-NSHDSACASA-N 0 1 382.432 0.444 20 0 GCADMN C[C@H](CNC(=O)C1=NC(=O)N(C)C1)CNc1ncc(-c2nn[nH]n2)cc1F ZINC001575043543 951395351 /nfs/dbraw/zinc/39/53/51/951395351.db2.gz UAYZREMIQOYDON-QMMMGPOBSA-N 0 1 375.368 0.318 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001575044249 951411460 /nfs/dbraw/zinc/41/14/60/951411460.db2.gz QOXAKKYLSJYMIQ-HZMBPMFUSA-N 0 1 383.416 0.489 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C(C)(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575044333 951414213 /nfs/dbraw/zinc/41/42/13/951414213.db2.gz YWPYZNKRDAIGEX-JTQLQIEISA-N 0 1 384.448 0.340 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)CNc1ccncc1-c1nn[nH]n1 ZINC001575044600 951415105 /nfs/dbraw/zinc/41/51/05/951415105.db2.gz SOWQGXYIUPCGJX-LLVKDONJSA-N 0 1 382.432 0.018 20 0 GCADMN CC(C)Oc1cncc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001575045778 951432612 /nfs/dbraw/zinc/43/26/12/951432612.db2.gz HPNONVAPDQTZOC-LLVKDONJSA-N 0 1 383.416 0.491 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575046701 951444844 /nfs/dbraw/zinc/44/48/44/951444844.db2.gz RELXLQYGKFARSP-LLVKDONJSA-N 0 1 382.432 0.089 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575046702 951445872 /nfs/dbraw/zinc/44/58/72/951445872.db2.gz RELXLQYGKFARSP-NSHDSACASA-N 0 1 382.432 0.089 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575047219 951454089 /nfs/dbraw/zinc/45/40/89/951454089.db2.gz ZQMHWRZDYJMJGD-LLVKDONJSA-N 0 1 383.416 0.243 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575052489 951466768 /nfs/dbraw/zinc/46/67/68/951466768.db2.gz KCPADATXMMHDLJ-MRVPVSSYSA-N 0 1 377.359 0.585 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575052819 951471402 /nfs/dbraw/zinc/47/14/02/951471402.db2.gz OQACYYJYIDIQDM-SECBINFHSA-N 0 1 377.359 0.753 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575053697 951480736 /nfs/dbraw/zinc/48/07/36/951480736.db2.gz UOXNLDXADVKFCA-LLVKDONJSA-N 0 1 384.448 0.863 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575053650 951480983 /nfs/dbraw/zinc/48/09/83/951480983.db2.gz SSPAAYCBQCBESI-QMMMGPOBSA-N 0 1 376.812 0.298 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575054120 951487560 /nfs/dbraw/zinc/48/75/60/951487560.db2.gz VTXGJJNRFWQKTD-QMMMGPOBSA-N 0 1 392.374 0.228 20 0 GCADMN C[C@@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575059370 951541545 /nfs/dbraw/zinc/54/15/45/951541545.db2.gz ZXBWEMXMIADNFV-LURJTMIESA-N 0 1 383.294 0.316 20 0 GCADMN C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575060905 951552357 /nfs/dbraw/zinc/55/23/57/951552357.db2.gz JIHQZCZDMHJXEN-SNVBAGLBSA-N 0 1 382.432 0.513 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c2c1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575060904 951552440 /nfs/dbraw/zinc/55/24/40/951552440.db2.gz JIHQZCZDMHJXEN-JTQLQIEISA-N 0 1 382.432 0.513 20 0 GCADMN C[C@@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575064598 951574014 /nfs/dbraw/zinc/57/40/14/951574014.db2.gz AJPBVZICYYQYRP-JTQLQIEISA-N 0 1 384.400 0.577 20 0 GCADMN C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001575065456 951588067 /nfs/dbraw/zinc/58/80/67/951588067.db2.gz HITFWASEYDQZRJ-GXFFZTMASA-N 0 1 384.400 0.754 20 0 GCADMN C[C@H](CNC(=O)c1nn(C)c2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001575065951 951589564 /nfs/dbraw/zinc/58/95/64/951589564.db2.gz JIWAFWLNIQRAMS-LLVKDONJSA-N 0 1 377.412 0.801 20 0 GCADMN C[C@H](CNC(=O)c1noc2c1COCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575066396 951593959 /nfs/dbraw/zinc/59/39/59/951593959.db2.gz LDJHNGXLNOSUSX-JTQLQIEISA-N 0 1 384.400 0.222 20 0 GCADMN C[C@@H](CNC(=O)c1noc2c1COCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575066398 951594181 /nfs/dbraw/zinc/59/41/81/951594181.db2.gz LDJHNGXLNOSUSX-SNVBAGLBSA-N 0 1 384.400 0.222 20 0 GCADMN C[C@@H](CNC(=O)c1ncoc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575067726 951620912 /nfs/dbraw/zinc/62/09/12/951620912.db2.gz XAUAMMUZGDHNIO-LURJTMIESA-N 0 1 383.294 0.316 20 0 GCADMN C[C@@H](CNC(=O)c1snnc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575069117 951639811 /nfs/dbraw/zinc/63/98/11/951639811.db2.gz GJZBPICIYUNSPC-SECBINFHSA-N 0 1 385.457 0.891 20 0 GCADMN C[C@H](CNC(=O)c1scc2c1OCCO2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575069498 951643512 /nfs/dbraw/zinc/64/35/12/951643512.db2.gz JOEBDTIUHDTQAG-MRVPVSSYSA-N 0 1 388.413 0.142 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1=O ZINC001595082285 951695613 /nfs/dbraw/zinc/69/56/13/951695613.db2.gz GLWWNJLFWOPRRH-SJORKVTESA-N 0 1 389.452 0.193 20 0 GCADMN C[C@@H](CNCC(=O)Nc1nccs1)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575080699 951714107 /nfs/dbraw/zinc/71/41/07/951714107.db2.gz QUXXEHZDGWTYDV-VIFPVBQESA-N 0 1 389.445 0.340 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cnn(C)c1N ZINC001575090298 951760342 /nfs/dbraw/zinc/76/03/42/951760342.db2.gz KKNZDPHXWXKVKZ-SNVBAGLBSA-N 0 1 387.423 0.572 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1COCCO1 ZINC001575090577 951761536 /nfs/dbraw/zinc/76/15/36/951761536.db2.gz MHYHTRFZUOEOEE-XHDPSFHLSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575090650 951761564 /nfs/dbraw/zinc/76/15/64/951761564.db2.gz MZQCVEVYSHKFCG-BXUZGUMPSA-N 0 1 389.435 0.469 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1=O ZINC001595089895 951762874 /nfs/dbraw/zinc/76/28/74/951762874.db2.gz COSQHZBSUFBJPZ-CVEARBPZSA-N 0 1 380.489 0.873 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575090903 951765110 /nfs/dbraw/zinc/76/51/10/951765110.db2.gz NXFCFEGRMGVLIA-IINYFYTJSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CNC(=O)C1CC1 ZINC001575091547 951778820 /nfs/dbraw/zinc/77/88/20/951778820.db2.gz UTYAVCNFQAKZEW-LLVKDONJSA-N 0 1 389.435 0.469 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1=O ZINC001595092164 951787930 /nfs/dbraw/zinc/78/79/30/951787930.db2.gz ZATHDNLOVLYOMI-JYJNAYRXSA-N 0 1 396.488 0.395 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098401 951822148 /nfs/dbraw/zinc/82/21/48/951822148.db2.gz CJDANVGLCDONFB-SECBINFHSA-N 0 1 375.462 0.400 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1N)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098401 951822160 /nfs/dbraw/zinc/82/21/60/951822160.db2.gz CJDANVGLCDONFB-SECBINFHSA-N 0 1 375.462 0.400 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575098415 951824193 /nfs/dbraw/zinc/82/41/93/951824193.db2.gz CMQOIFUPBPDUQL-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCCC(=O)N1C ZINC001575098415 951824203 /nfs/dbraw/zinc/82/42/03/951824203.db2.gz CMQOIFUPBPDUQL-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098753 951825401 /nfs/dbraw/zinc/82/54/01/951825401.db2.gz GFEVNPCQWOPMMG-LLVKDONJSA-N 0 1 387.469 0.783 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098753 951825408 /nfs/dbraw/zinc/82/54/08/951825408.db2.gz GFEVNPCQWOPMMG-LLVKDONJSA-N 0 1 387.469 0.783 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cnn(C)n1 ZINC001575098976 951828460 /nfs/dbraw/zinc/82/84/60/951828460.db2.gz GNBQJSCBWRWQLQ-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cnn(C)n1 ZINC001575098976 951828464 /nfs/dbraw/zinc/82/84/64/951828464.db2.gz GNBQJSCBWRWQLQ-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099400 951834194 /nfs/dbraw/zinc/83/41/94/951834194.db2.gz LIZMNRKPWBGCAU-APPDUMDISA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099400 951834203 /nfs/dbraw/zinc/83/42/03/951834203.db2.gz LIZMNRKPWBGCAU-APPDUMDISA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099598 951836684 /nfs/dbraw/zinc/83/66/84/951836684.db2.gz NRMWHVBVCQICLM-LLVKDONJSA-N 0 1 375.462 0.452 20 0 GCADMN C[C@@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099598 951836689 /nfs/dbraw/zinc/83/66/89/951836689.db2.gz NRMWHVBVCQICLM-LLVKDONJSA-N 0 1 375.462 0.452 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCn1ccnn1 ZINC001575099884 951839390 /nfs/dbraw/zinc/83/93/90/951839390.db2.gz PVSCMUDBJCJFTF-NSHDSACASA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCn1ccnn1 ZINC001575099884 951839397 /nfs/dbraw/zinc/83/93/97/951839397.db2.gz PVSCMUDBJCJFTF-NSHDSACASA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN1CCOCC1 ZINC001575099818 951839615 /nfs/dbraw/zinc/83/96/15/951839615.db2.gz OYGCZJKPUQIVDV-LBPRGKRZSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN1CCOCC1 ZINC001575099818 951839622 /nfs/dbraw/zinc/83/96/22/951839622.db2.gz OYGCZJKPUQIVDV-LBPRGKRZSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100943 951849731 /nfs/dbraw/zinc/84/97/31/951849731.db2.gz XGKQOKIBUCNZHK-PWSUYJOCSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100943 951849738 /nfs/dbraw/zinc/84/97/38/951849738.db2.gz XGKQOKIBUCNZHK-PWSUYJOCSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101044 951852623 /nfs/dbraw/zinc/85/26/23/951852623.db2.gz YCRFCXZPTGXCJJ-QFYYESIMSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101044 951852626 /nfs/dbraw/zinc/85/26/26/951852626.db2.gz YCRFCXZPTGXCJJ-QFYYESIMSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575101012 951852651 /nfs/dbraw/zinc/85/26/51/951852651.db2.gz XNPDVCYTUQFMOZ-VXGBXAGGSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575101012 951852655 /nfs/dbraw/zinc/85/26/55/951852655.db2.gz XNPDVCYTUQFMOZ-VXGBXAGGSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001575101104 951854524 /nfs/dbraw/zinc/85/45/24/951854524.db2.gz ZLSIAYDMZCYJCA-ZYHUDNBSSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCN(C)C1=O ZINC001575101104 951854533 /nfs/dbraw/zinc/85/45/33/951854533.db2.gz ZLSIAYDMZCYJCA-ZYHUDNBSSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575101383 951858409 /nfs/dbraw/zinc/85/84/09/951858409.db2.gz COPKSQRDXZTYHY-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc(C(N)=O)c[nH]1 ZINC001575101383 951858417 /nfs/dbraw/zinc/85/84/17/951858417.db2.gz COPKSQRDXZTYHY-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn(C)c1N ZINC001575103375 951875366 /nfs/dbraw/zinc/87/53/66/951875366.db2.gz STDJUZUEXXSDAQ-VIFPVBQESA-N 0 1 375.462 0.494 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn(C)c1N ZINC001575103375 951875369 /nfs/dbraw/zinc/87/53/69/951875369.db2.gz STDJUZUEXXSDAQ-VIFPVBQESA-N 0 1 375.462 0.494 20 0 GCADMN C[C@@H](CNCc1nn(C)cc1Cl)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117795 951982462 /nfs/dbraw/zinc/98/24/62/951982462.db2.gz PVNSGYFOAAEXFI-VIFPVBQESA-N 0 1 377.840 0.737 20 0 GCADMN C[C@H](CNCc1noc2c1COCC2)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118780 951986009 /nfs/dbraw/zinc/98/60/09/951986009.db2.gz SVSHIRDFDIGRRJ-SNVBAGLBSA-N 0 1 386.416 0.411 20 0 GCADMN C[C@@H](CNCc1nnnn1C(C)(C)C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119332 951989626 /nfs/dbraw/zinc/98/96/26/951989626.db2.gz XIIWRQFHUATLNB-JTQLQIEISA-N 0 1 387.452 0.092 20 0 GCADMN O=C([O-])CS(=O)(=O)CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC001595123861 951992544 /nfs/dbraw/zinc/99/25/44/951992544.db2.gz RNSQTLVTCUUWON-UHFFFAOYSA-N 0 1 386.445 0.653 20 0 GCADMN C[C@@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575121765 951997980 /nfs/dbraw/zinc/99/79/80/951997980.db2.gz HGTOXVQIVLVJER-KRWDZBQOSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)CCc1cnn[nH]1)C1CC1 ZINC001575121765 951997988 /nfs/dbraw/zinc/99/79/88/951997988.db2.gz HGTOXVQIVLVJER-KRWDZBQOSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575123713 952019997 /nfs/dbraw/zinc/01/99/97/952019997.db2.gz CAKKBIQFPICMHT-QGZVFWFLSA-N 0 1 383.460 0.449 20 0 GCADMN C[C@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575123713 952020006 /nfs/dbraw/zinc/02/00/06/952020006.db2.gz CAKKBIQFPICMHT-QGZVFWFLSA-N 0 1 383.460 0.449 20 0 GCADMN C[C@@](CNc1ccc(-c2nnn[n-]2)nn1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575123710 952020403 /nfs/dbraw/zinc/02/04/03/952020403.db2.gz CAKKBIQFPICMHT-KRWDZBQOSA-N 0 1 383.460 0.449 20 0 GCADMN C[C@@](CNc1ccc(-c2nn[n-]n2)nn1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575123710 952020412 /nfs/dbraw/zinc/02/04/12/952020412.db2.gz CAKKBIQFPICMHT-KRWDZBQOSA-N 0 1 383.460 0.449 20 0 GCADMN O=C([O-])Cn1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001595141718 952085270 /nfs/dbraw/zinc/08/52/70/952085270.db2.gz DKRXHZMSZGCVTI-DLBZAZTESA-N 0 1 385.424 0.478 20 0 GCADMN CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NCC[N@@H+]2CC=CCC2)C1 ZINC001602891623 971801949 /nfs/dbraw/zinc/80/19/49/971801949.db2.gz BAGPJGSGIKUJRN-GOSISDBHSA-N 0 1 383.445 0.455 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCC1(F)F)C1CC1 ZINC001575135621 952119668 /nfs/dbraw/zinc/11/96/68/952119668.db2.gz MGNKFWJHLZNROR-ZUZCIYMTSA-N 0 1 378.387 0.821 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575135765 952121222 /nfs/dbraw/zinc/12/12/22/952121222.db2.gz NNSNONOAZLDCAC-HNNXBMFYSA-N 0 1 378.387 0.821 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cn1ccc(C(F)F)n1 ZINC001575140613 952142491 /nfs/dbraw/zinc/14/24/91/952142491.db2.gz DZGUSGMRYKLGTG-SECBINFHSA-N 0 1 392.374 0.172 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccncc1F)C1CC1 ZINC001575141559 952145393 /nfs/dbraw/zinc/14/53/93/952145393.db2.gz IEGAOIYGXAMSGC-KRWDZBQOSA-N 0 1 383.391 0.623 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cc(Cl)no1)C1CC1 ZINC001575142779 952148323 /nfs/dbraw/zinc/14/83/23/952148323.db2.gz LQAQKMKOJNOGAZ-HNNXBMFYSA-N 0 1 389.807 0.731 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575143599 952154278 /nfs/dbraw/zinc/15/42/78/952154278.db2.gz BLKXRDURPJAQNH-SSDOTTSWSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C ZINC001575143523 952154543 /nfs/dbraw/zinc/15/45/43/952154543.db2.gz AWURVVYTYMOMQV-ZWNOBZJWSA-N 0 1 389.464 0.025 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1csc(C2CC2)n1 ZINC001575143946 952159345 /nfs/dbraw/zinc/15/93/45/952159345.db2.gz DYDUWVIBPKGGGI-SECBINFHSA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1CCc2cccnc21 ZINC001575144162 952162667 /nfs/dbraw/zinc/16/26/67/952162667.db2.gz UOEODXOIQWQWDI-DGCLKSJQSA-N 0 1 379.428 0.462 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C)c1C1CC1 ZINC001575144394 952166178 /nfs/dbraw/zinc/16/61/78/952166178.db2.gz IESIRUOODIWMFK-JTQLQIEISA-N 0 1 382.432 0.262 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccc2c1OCC2 ZINC001575144583 952168147 /nfs/dbraw/zinc/16/81/47/952168147.db2.gz JDDRIZUFRNGGJO-LLVKDONJSA-N 0 1 380.412 0.586 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575144937 952175961 /nfs/dbraw/zinc/17/59/61/952175961.db2.gz NSZYTXBUBNQWBB-JTQLQIEISA-N 0 1 380.416 0.319 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001575145226 952180167 /nfs/dbraw/zinc/18/01/67/952180167.db2.gz STWKUBBIMWGARE-SNVBAGLBSA-N 0 1 385.432 0.937 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC001575145179 952180339 /nfs/dbraw/zinc/18/03/39/952180339.db2.gz RVSBNKQVTNGQDS-NEPJUHHUSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575145476 952184288 /nfs/dbraw/zinc/18/42/88/952184288.db2.gz YHHRKECLRMTUAP-QMMMGPOBSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575145469 952184748 /nfs/dbraw/zinc/18/47/48/952184748.db2.gz YEHSKLCOMPWCIF-SGTLLEGYSA-N 0 1 384.444 0.049 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575145573 952187634 /nfs/dbraw/zinc/18/76/34/952187634.db2.gz AGSKBCXDYQWIBZ-LLVKDONJSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCn1ccccc1=O ZINC001575145821 952189096 /nfs/dbraw/zinc/18/90/96/952189096.db2.gz CZRCYJHGVKIWTM-ZDUSSCGKSA-N 0 1 382.428 0.194 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccnc1N(C)C ZINC001575146201 952191798 /nfs/dbraw/zinc/19/17/98/952191798.db2.gz HWMCURODKDQPKA-LBPRGKRZSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575146240 952192839 /nfs/dbraw/zinc/19/28/39/952192839.db2.gz IVQYSSPTHPBZPH-LLVKDONJSA-N 0 1 383.412 0.922 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc(N(C)C)cn1 ZINC001575146848 952198188 /nfs/dbraw/zinc/19/81/88/952198188.db2.gz OVTZKYVFQNPEQK-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc2nccn2c1 ZINC001575147169 952198894 /nfs/dbraw/zinc/19/88/94/952198894.db2.gz RKLHFGCCYKRJNN-LBPRGKRZSA-N 0 1 377.412 0.904 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575147409 952200211 /nfs/dbraw/zinc/20/02/11/952200211.db2.gz SNAJUQAEXHJISA-VIFPVBQESA-N 0 1 377.359 0.848 20 0 GCADMN O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC001595169936 952222660 /nfs/dbraw/zinc/22/26/60/952222660.db2.gz XVRJSCAVSLVBHQ-CVEARBPZSA-N 0 1 399.538 0.987 20 0 GCADMN O=C([O-])[C@@H]1CCCN1S(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC001595169936 952222667 /nfs/dbraw/zinc/22/26/67/952222667.db2.gz XVRJSCAVSLVBHQ-CVEARBPZSA-N 0 1 399.538 0.987 20 0 GCADMN C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnc([C@@H]2CCOC2)[nH]1 ZINC001575187619 952442498 /nfs/dbraw/zinc/44/24/98/952442498.db2.gz DLLLZZQSUVMFIO-BXUZGUMPSA-N 0 1 382.428 0.984 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001575188612 952449810 /nfs/dbraw/zinc/44/98/10/952449810.db2.gz KDENXTFDZGXPLJ-CYBMUJFWSA-N 0 1 385.428 0.388 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575190575 952463262 /nfs/dbraw/zinc/46/32/62/952463262.db2.gz UNEQJNJNMLMCKX-GFCCVEGCSA-N 0 1 382.428 0.953 20 0 GCADMN C[C@@H](Cc1cccc(F)c1)C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575191091 952466466 /nfs/dbraw/zinc/46/64/66/952466466.db2.gz WZNWUKOSDKLJIW-LBPRGKRZSA-N 0 1 384.419 0.967 20 0 GCADMN O=C(C[C@@H]1CCNC1=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571118338 952486595 /nfs/dbraw/zinc/48/65/95/952486595.db2.gz VMDLLIRNCACJAC-QWRGUYRKSA-N 0 1 375.458 0.145 20 0 GCADMN O=C(C[C@H]1CCNC1=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571118335 952487145 /nfs/dbraw/zinc/48/71/45/952487145.db2.gz VMDLLIRNCACJAC-GHMZBOCLSA-N 0 1 375.458 0.145 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575199308 952488983 /nfs/dbraw/zinc/48/89/83/952488983.db2.gz CCDKSTKZZQPDAJ-STQMWFEESA-N 0 1 381.444 0.949 20 0 GCADMN 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379.428 0.589 20 0 GCADMN Cn1ccc(C(=O)N[C@@]23CCC[C@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)c1 ZINC001571147491 952661750 /nfs/dbraw/zinc/66/17/50/952661750.db2.gz ZVTRCBUIDASNEI-FZKQIMNGSA-N 0 1 379.428 0.927 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccncn2)CC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571147788 952663590 /nfs/dbraw/zinc/66/35/90/952663590.db2.gz QGUQXEREMJSBOQ-CHWSQXEVSA-N 0 1 379.428 0.684 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571147794 952663629 /nfs/dbraw/zinc/66/36/29/952663629.db2.gz QHGYIDDQZPGKRQ-HAQNSBGRSA-N 0 1 379.428 0.970 20 0 GCADMN O=C(c1cn2c(n1)CCC2)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571151607 952675619 /nfs/dbraw/zinc/67/56/19/952675619.db2.gz RRQKYQQMURUKDR-LBPRGKRZSA-N 0 1 379.428 0.401 20 0 GCADMN O=C(NC[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1)c1cn[nH]c1 ZINC001571152889 952683710 /nfs/dbraw/zinc/68/37/10/952683710.db2.gz KIKPJCDYSPYLRB-SSDOTTSWSA-N 0 1 379.837 0.956 20 0 GCADMN O=C([C@H]1Cc2ccc(F)cc21)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571155409 952696867 /nfs/dbraw/zinc/69/68/67/952696867.db2.gz QWALUGDIYKHUDA-OCCSQVGLSA-N 0 1 380.387 0.570 20 0 GCADMN Cc1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nn1 ZINC001571156066 952701151 /nfs/dbraw/zinc/70/11/51/952701151.db2.gz BYUWEFCMETVKIV-STQMWFEESA-N 0 1 379.428 0.887 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3n[nH]c4c3CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156618 952701908 /nfs/dbraw/zinc/70/19/08/952701908.db2.gz FGPCJYOJTLTFLE-LLVKDONJSA-N 0 1 379.428 0.530 20 0 GCADMN Cc1cc(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c(C)nn1 ZINC001571156619 952702166 /nfs/dbraw/zinc/70/21/66/952702166.db2.gz FGWAFADJPUYXPE-ZDUSSCGKSA-N 0 1 379.428 0.986 20 0 GCADMN Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)c3cncnc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156660 952703380 /nfs/dbraw/zinc/70/33/80/952703380.db2.gz GDRBUQKTOVEUFJ-TZMCWYRMSA-N 0 1 379.428 0.793 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)cc(C)n1 ZINC001571156781 952704620 /nfs/dbraw/zinc/70/46/20/952704620.db2.gz JKWKNKWWHGEXOE-TZMCWYRMSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)cc(C)n1 ZINC001571156778 952705095 /nfs/dbraw/zinc/70/50/95/952705095.db2.gz JKWKNKWWHGEXOE-GXTWGEPZSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cc(N2CC[C@H](CNC(=O)c3cc[nH]c(=O)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158737 952714817 /nfs/dbraw/zinc/71/48/17/952714817.db2.gz NRQXQYRGNWFZGJ-GFCCVEGCSA-N 0 1 380.412 0.927 20 0 GCADMN COc1cccc(C(=O)NC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571158991 952715662 /nfs/dbraw/zinc/71/56/62/952715662.db2.gz OTOMUFMVDHDRQP-GFCCVEGCSA-N 0 1 380.412 0.922 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cncnc3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158911 952716490 /nfs/dbraw/zinc/71/64/90/952716490.db2.gz UDWQDCNVQBUUEQ-TZMCWYRMSA-N 0 1 379.428 0.887 20 0 GCADMN COc1ncccc1C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571159025 952717521 /nfs/dbraw/zinc/71/75/21/952717521.db2.gz PHAQHNMNCYTAHA-RYUDHWBXSA-N 0 1 380.412 0.802 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)ccn1 ZINC001571159796 952722026 /nfs/dbraw/zinc/72/20/26/952722026.db2.gz XATUYXAIHSQFIV-ZIAGYGMSSA-N 0 1 379.428 0.935 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)ncn1 ZINC001571160282 952725007 /nfs/dbraw/zinc/72/50/07/952725007.db2.gz XWOQELJSKBLZHY-AAEUAGOBSA-N 0 1 379.428 0.602 20 0 GCADMN O=C(N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccc(=O)[nH]1 ZINC001571161422 952732941 /nfs/dbraw/zinc/73/29/41/952732941.db2.gz VHIYDGXZFFNNFW-RYUDHWBXSA-N 0 1 380.412 0.795 20 0 GCADMN O=C(NCc1nnc([C@@H]2CCOC2)[nH]1)C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571161448 952733454 /nfs/dbraw/zinc/73/34/54/952733454.db2.gz VTYPHIFCDOWSEM-GFCCVEGCSA-N 0 1 380.412 0.837 20 0 GCADMN Cc1cc(N2C[C@@H](C)[C@H](NC(=O)c3nccnc3N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571161934 952736265 /nfs/dbraw/zinc/73/62/65/952736265.db2.gz FQPWMFVJARDQAQ-BXKDBHETSA-N 0 1 380.416 0.197 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H]3[C@@H]2CCN3c2nccnc2-c2nn[nH]n2)n[nH]1 ZINC001571162080 952738294 /nfs/dbraw/zinc/73/82/94/952738294.db2.gz JJTFFUHKPHQOAC-STQMWFEESA-N 0 1 380.416 0.572 20 0 GCADMN Cc1cc(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cnn1 ZINC001571162382 952742883 /nfs/dbraw/zinc/74/28/83/952742883.db2.gz SJWJAFJMEITOTJ-CYBMUJFWSA-N 0 1 380.416 0.284 20 0 GCADMN Cc1nc[nH]c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571162376 952743557 /nfs/dbraw/zinc/74/35/57/952743557.db2.gz SHFBPBVUMSYQNS-NEPJUHHUSA-N 0 1 380.416 0.572 20 0 GCADMN Cc1n[nH]cc1C(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571162712 952746290 /nfs/dbraw/zinc/74/62/90/952746290.db2.gz YCNLVEJVUGMNEA-DGCLKSJQSA-N 0 1 380.416 0.429 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H]3CN(c4cncc(-c5nn[nH]n5)n4)C[C@H]32)n[nH]1 ZINC001571162734 952746360 /nfs/dbraw/zinc/74/63/60/952746360.db2.gz YTAFGOLXCSWKJN-SMDDNHRTSA-N 0 1 380.416 0.429 20 0 GCADMN O=C(c1ccn[nH]1)N1CC[C@]2(C1)CCCN(c1cncc(-c3nn[nH]n3)n1)C2 ZINC001571166191 952759632 /nfs/dbraw/zinc/75/96/32/952759632.db2.gz PPZAUHGRLMUVJW-QGZVFWFLSA-N 0 1 380.416 0.513 20 0 GCADMN Cn1nccc1C(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571166965 952768155 /nfs/dbraw/zinc/76/81/55/952768155.db2.gz ZNRNLQZFRLJOAL-WCQYABFASA-N 0 1 380.416 0.131 20 0 GCADMN NC(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)co1 ZINC001571170409 952785451 /nfs/dbraw/zinc/78/54/51/952785451.db2.gz IXDWMDWMZUMROY-CQSZACIVSA-N 0 1 381.396 0.563 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1coc(C2CC2)n1 ZINC001571170415 952785910 /nfs/dbraw/zinc/78/59/10/952785910.db2.gz JCLPNMMMQKZCIS-KOLCDFICSA-N 0 1 381.400 0.659 20 0 GCADMN CN(C(=O)c1ccc(=O)[nH]n1)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001571171050 952790907 /nfs/dbraw/zinc/79/09/07/952790907.db2.gz MMQUNEBXAJMQSR-UHFFFAOYSA-N 0 1 381.400 0.498 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cc(C2CC2)on1 ZINC001571171620 952795407 /nfs/dbraw/zinc/79/54/07/952795407.db2.gz UCYJKJCBAHWRRG-MWLCHTKSSA-N 0 1 381.400 0.659 20 0 GCADMN O=C(NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2)[C@@H]1C[C@H]1C1CC1 ZINC001571172315 952805874 /nfs/dbraw/zinc/80/58/74/952805874.db2.gz SMGYAUOZLAFJBJ-MAWWUMEMSA-N 0 1 380.456 0.964 20 0 GCADMN Cc1cc(NC[C@H]2CCCN2C(=O)c2cn[nH]c(=O)c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174557 952810449 /nfs/dbraw/zinc/81/04/49/952810449.db2.gz AGWXPUKBVXFDTL-GFCCVEGCSA-N 0 1 381.400 0.204 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174585 952811250 /nfs/dbraw/zinc/81/12/50/952811250.db2.gz BBHOOBSKRWQZHT-XPTSAGLGSA-N 0 1 381.400 0.060 20 0 GCADMN Cc1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)no1 ZINC001571174801 952814226 /nfs/dbraw/zinc/81/42/26/952814226.db2.gz INOLPJMXCBLRHB-SRVKXCTJSA-N 0 1 381.400 0.740 20 0 GCADMN Cc1cc(N2CC[C@@H]3[C@@H]2CCCN3C(=O)c2cnon2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174767 952814454 /nfs/dbraw/zinc/81/44/54/952814454.db2.gz HSCRENLHHLOKFK-UONOGXRCSA-N 0 1 381.400 0.837 20 0 GCADMN COc1nccc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571175082 952817701 /nfs/dbraw/zinc/81/77/01/952817701.db2.gz PBWKCADHEBQYMC-LLVKDONJSA-N 0 1 381.400 0.199 20 0 GCADMN COc1ccnc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571175106 952817718 /nfs/dbraw/zinc/81/77/18/952817718.db2.gz POSBJCVEMWLTGM-LLVKDONJSA-N 0 1 381.400 0.199 20 0 GCADMN O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1)c1ccon1 ZINC001571175354 952820915 /nfs/dbraw/zinc/82/09/15/952820915.db2.gz BDFGDHWHGXGNPS-SDDRHHMPSA-N 0 1 381.400 0.680 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)no1 ZINC001571175612 952823992 /nfs/dbraw/zinc/82/39/92/952823992.db2.gz XDVURDQVYQWRHV-WCQYABFASA-N 0 1 381.400 0.694 20 0 GCADMN Cc1noc(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571176095 952827858 /nfs/dbraw/zinc/82/78/58/952827858.db2.gz KVLGLXQGAVWQSE-UTUOFQBUSA-N 0 1 381.400 0.801 20 0 GCADMN Cc1ocnc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001571176162 952829003 /nfs/dbraw/zinc/82/90/03/952829003.db2.gz MXHQKGZIRVZFSF-DIFFPNOSSA-N 0 1 381.400 0.552 20 0 GCADMN Cc1ocnc1C(=O)N[C@]12CCC[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571176177 952829908 /nfs/dbraw/zinc/82/99/08/952829908.db2.gz NMRWYVQGINTGSP-GTNSWQLSSA-N 0 1 381.400 0.742 20 0 GCADMN Cc1nonc1C(=O)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571176358 952830522 /nfs/dbraw/zinc/83/05/22/952830522.db2.gz QKGJIHUQXFJOGJ-QGZVFWFLSA-N 0 1 381.400 0.696 20 0 GCADMN O=C(N[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571176506 952832227 /nfs/dbraw/zinc/83/22/27/952832227.db2.gz SBWWICZVAXBALQ-IJLUTSLNSA-N 0 1 381.400 0.052 20 0 GCADMN Cc1c[nH]cc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001571179918 952856524 /nfs/dbraw/zinc/85/65/24/952856524.db2.gz KFPZGSRDPXIGHE-IAGOWNOFSA-N 0 1 381.440 0.868 20 0 GCADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571180545 952860127 /nfs/dbraw/zinc/86/01/27/952860127.db2.gz QQRILQUQXADAJV-CYAUESBNSA-N 0 1 381.440 0.688 20 0 GCADMN CCc1ccccc1CN1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571183263 952875497 /nfs/dbraw/zinc/87/54/97/952875497.db2.gz UUFPKVWJPZYGSR-IAGOWNOFSA-N 0 1 381.440 0.732 20 0 GCADMN C[C@@H]1C[C@H](NCc2cc3n(n2)CCC3)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571183685 952882106 /nfs/dbraw/zinc/88/21/06/952882106.db2.gz HMHBVVTZTBGECO-RISCZKNCSA-N 0 1 381.444 0.730 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)CCc1ccn(C)n1 ZINC001571183887 952884026 /nfs/dbraw/zinc/88/40/26/952884026.db2.gz MDIKEWUPTLDWFA-GXTWGEPZSA-N 0 1 381.444 0.451 20 0 GCADMN CCc1cc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)n(C)n1 ZINC001571184081 952888096 /nfs/dbraw/zinc/88/80/96/952888096.db2.gz PVVDCWZQWAQDAI-GFCCVEGCSA-N 0 1 381.444 0.554 20 0 GCADMN Cc1c[nH]cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001571186658 952909512 /nfs/dbraw/zinc/90/95/12/952909512.db2.gz ZJECGZACLLMEQM-QWHCGFSZSA-N 0 1 381.444 0.925 20 0 GCADMN Cc1cc(N(C)C[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188156 952912672 /nfs/dbraw/zinc/91/26/72/952912672.db2.gz HBGIXTFNNJYKED-ZDUSSCGKSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1cn(C)nc1C(=O)NC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188406 952914828 /nfs/dbraw/zinc/91/48/28/952914828.db2.gz KFXCEDPBXZQAIW-ZDUSSCGKSA-N 0 1 381.444 0.868 20 0 GCADMN Cc1cc(N[C@@H]2CCC[C@H](NC(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188577 952916859 /nfs/dbraw/zinc/91/68/59/952916859.db2.gz LIJZVMXHENEQLR-KGLIPLIRSA-N 0 1 381.444 0.728 20 0 GCADMN Cc1ncc(C(=O)NC[C@@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C)n1C ZINC001571188621 952917537 /nfs/dbraw/zinc/91/75/37/952917537.db2.gz FIWXJRGTNJKWQQ-DGCLKSJQSA-N 0 1 381.444 0.806 20 0 GCADMN Cn1cncc1CC(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571189343 952928397 /nfs/dbraw/zinc/92/83/97/952928397.db2.gz QDBFCRUXSCSPRP-JOCQHMNTSA-N 0 1 381.444 0.499 20 0 GCADMN Cc1cc(N2CCC[C@H](CNC(=O)c3cnn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189380 952929566 /nfs/dbraw/zinc/92/95/66/952929566.db2.gz VVPOWVZOFCKHHQ-CYBMUJFWSA-N 0 1 381.444 0.950 20 0 GCADMN Cc1cc(NC[C@H]2CCCN(C(=O)c3cnn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189553 952930939 /nfs/dbraw/zinc/93/09/39/952930939.db2.gz XDWORQCURARXSE-CYBMUJFWSA-N 0 1 381.444 0.690 20 0 GCADMN Cn1ccc(C(=O)N2CCCC[C@H]2CCNc2ccncc2-c2nn[nH]n2)n1 ZINC001571189720 952932884 /nfs/dbraw/zinc/93/28/84/952932884.db2.gz SGCRJTNMYOGNNV-ZDUSSCGKSA-N 0 1 381.444 0.914 20 0 GCADMN Cc1ncn(C)c1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571189907 952937226 /nfs/dbraw/zinc/93/72/26/952937226.db2.gz ZBDMIZZGTMYRQK-BXUZGUMPSA-N 0 1 381.444 0.688 20 0 GCADMN O=C(N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1)[C@]12C[C@H]1COC2 ZINC001571190755 952942772 /nfs/dbraw/zinc/94/27/72/952942772.db2.gz LCRYALOIZDJEKU-RTHLEPHNSA-N 0 1 381.849 0.662 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571199250 952997641 /nfs/dbraw/zinc/99/76/41/952997641.db2.gz OKPGQXPIGNJCLA-AWEZNQCLSA-N 0 1 382.428 0.998 20 0 GCADMN O=C(Cc1ccn[nH]1)N1C[C@H]2CN(c3cccc(F)c3-c3nn[nH]n3)C[C@H]2C1 ZINC001571199939 953005444 /nfs/dbraw/zinc/00/54/44/953005444.db2.gz DEIXAYUDRLSCNE-TXEJJXNPSA-N 0 1 382.403 0.866 20 0 GCADMN Cc1c(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2O)ccn1C ZINC001571200858 953013154 /nfs/dbraw/zinc/01/31/54/953013154.db2.gz GZTKMDIVYAZCQN-ZBFHGGJFSA-N 0 1 382.428 0.197 20 0 GCADMN Cc1cc(NC[C@@H]2CCC[C@@H]2NC(=O)Cc2ccon2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571201707 953019545 /nfs/dbraw/zinc/01/95/45/953019545.db2.gz NDMYNPJDVDCDNX-WFASDCNBSA-N 0 1 382.428 0.920 20 0 GCADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCn2cncn2)CC1 ZINC001571204562 953030420 /nfs/dbraw/zinc/03/04/20/953030420.db2.gz BEJMPXZULYUXLX-UHFFFAOYSA-N 0 1 382.432 0.158 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)[nH]n1 ZINC001571204607 953030858 /nfs/dbraw/zinc/03/08/58/953030858.db2.gz BMYUQNYWAIRHNQ-CMPLNLGQSA-N 0 1 382.432 0.730 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2[nH]cnc2C)CC1 ZINC001571205186 953036452 /nfs/dbraw/zinc/03/64/52/953036452.db2.gz HCHIWQZZKXRTHC-UHFFFAOYSA-N 0 1 382.432 0.607 20 0 GCADMN CCCc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571205615 953039816 /nfs/dbraw/zinc/03/98/16/953039816.db2.gz LQYPELDBWDMCPC-GFCCVEGCSA-N 0 1 382.432 0.683 20 0 GCADMN CCc1c[nH]c(CC(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571205977 953044640 /nfs/dbraw/zinc/04/46/40/953044640.db2.gz PSAYQTALSZGOFB-LBPRGKRZSA-N 0 1 382.432 0.270 20 0 GCADMN CCn1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571206061 953045678 /nfs/dbraw/zinc/04/56/78/953045678.db2.gz CXAIJLYBBXBHBC-GFCCVEGCSA-N 0 1 382.432 0.580 20 0 GCADMN CCCn1nccc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206373 953050170 /nfs/dbraw/zinc/05/01/70/953050170.db2.gz UJYYZZUYHZWTFS-LBPRGKRZSA-N 0 1 382.432 0.520 20 0 GCADMN CCCn1nccc1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206373 953050174 /nfs/dbraw/zinc/05/01/74/953050174.db2.gz UJYYZZUYHZWTFS-LBPRGKRZSA-N 0 1 382.432 0.520 20 0 GCADMN CCc1cc(C(=O)N2CCC[C@@H](N(C)c3cnc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571206431 953050925 /nfs/dbraw/zinc/05/09/25/953050925.db2.gz ULMIEQASVYNFGW-GFCCVEGCSA-N 0 1 382.432 0.683 20 0 GCADMN Cc1ncccc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@@H](O)C1 ZINC001571206413 953051012 /nfs/dbraw/zinc/05/10/12/953051012.db2.gz PBPJFPJMXQJWKZ-ZBFHGGJFSA-N 0 1 382.428 0.263 20 0 GCADMN C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001571206472 953051334 /nfs/dbraw/zinc/05/13/34/953051334.db2.gz PYGGSKMDFQVRPM-CHWSQXEVSA-N 0 1 382.432 0.187 20 0 GCADMN CCc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571206634 953053675 /nfs/dbraw/zinc/05/36/75/953053675.db2.gz VTRBSYRERVRXIA-QWRGUYRKSA-N 0 1 382.432 0.327 20 0 GCADMN CCc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571206636 953053775 /nfs/dbraw/zinc/05/37/75/953053775.db2.gz VTRBSYRERVRXIA-WDEREUQCSA-N 0 1 382.432 0.327 20 0 GCADMN CCc1n[nH]cc1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206678 953054270 /nfs/dbraw/zinc/05/42/70/953054270.db2.gz WJMNXGPJRLLPKL-LLVKDONJSA-N 0 1 382.432 0.589 20 0 GCADMN CCn1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571206845 953055773 /nfs/dbraw/zinc/05/57/73/953055773.db2.gz XZBQTOSAXRYFRR-NEPJUHHUSA-N 0 1 382.432 0.115 20 0 GCADMN CCn1cc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)cn1 ZINC001571206851 953055985 /nfs/dbraw/zinc/05/59/85/953055985.db2.gz XZBQTOSAXRYFRR-VXGBXAGGSA-N 0 1 382.432 0.115 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(NC[C@H]2CCN(C(=O)c3ccn[nH]3)C[C@@H]2C)n1 ZINC001571206803 953056192 /nfs/dbraw/zinc/05/61/92/953056192.db2.gz KUAPKUYPOPBYLZ-CMPLNLGQSA-N 0 1 382.432 0.899 20 0 GCADMN C[C@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571207021 953058262 /nfs/dbraw/zinc/05/82/62/953058262.db2.gz ZUBNNWDGDAPFBD-WCQYABFASA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571207021 953058267 /nfs/dbraw/zinc/05/82/67/953058267.db2.gz ZUBNNWDGDAPFBD-WCQYABFASA-N 0 1 382.432 0.519 20 0 GCADMN CC1(C)CN(c2ccncc2-c2nn[nH]n2)CC[C@H]1NC(=O)Cn1cncn1 ZINC001571206982 953058505 /nfs/dbraw/zinc/05/85/05/953058505.db2.gz YWCURTSTJNCICC-CQSZACIVSA-N 0 1 382.432 0.275 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(N[C@@H]2CN(C(=O)Cc3ccn[nH]3)CC2(C)C)n1 ZINC001571207075 953058858 /nfs/dbraw/zinc/05/88/58/953058858.db2.gz MRBZUQFKCBBBKX-CYBMUJFWSA-N 0 1 382.432 0.580 20 0 GCADMN Cc1c(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nnn1C(C)C ZINC001571207053 953058916 /nfs/dbraw/zinc/05/89/16/953058916.db2.gz MBYCZHUVCOQKMH-LBPRGKRZSA-N 0 1 382.432 0.491 20 0 GCADMN Cc1c(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cnn1C(C)C ZINC001571207112 953059228 /nfs/dbraw/zinc/05/92/28/953059228.db2.gz NIQLLNHJGXEPHB-HAQNSBGRSA-N 0 1 382.432 0.537 20 0 GCADMN CN(c1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)CCc2cn[nH]c2)CC1 ZINC001571207326 953061716 /nfs/dbraw/zinc/06/17/16/953061716.db2.gz QVYLHVURAMHSRL-UHFFFAOYSA-N 0 1 382.432 0.440 20 0 GCADMN O=C(NC[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)CCCO1)c1ncc[nH]1 ZINC001571207330 953062028 /nfs/dbraw/zinc/06/20/28/953062028.db2.gz XVIHGQLQZUFCRS-OAHLLOKOSA-N 0 1 382.428 0.611 20 0 GCADMN CCn1nccc1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571207415 953062690 /nfs/dbraw/zinc/06/26/90/953062690.db2.gz RDVVPSXAQDLZNI-UHFFFAOYSA-N 0 1 382.432 0.402 20 0 GCADMN O=C(C1=CCCC1)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001571207364 953062910 /nfs/dbraw/zinc/06/29/10/953062910.db2.gz YQLJQWDLINZUJT-SFHVURJKSA-N 0 1 382.428 0.575 20 0 GCADMN CCn1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)n1 ZINC001571207436 953063626 /nfs/dbraw/zinc/06/36/26/953063626.db2.gz RPDJDOXNAHMYPQ-NEPJUHHUSA-N 0 1 382.432 0.258 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(NC2CCN(C(=O)CCc3cnc[nH]3)CC2)n1 ZINC001571207523 953064455 /nfs/dbraw/zinc/06/44/55/953064455.db2.gz VPVKREJBNDLEEV-UHFFFAOYSA-N 0 1 382.432 0.724 20 0 GCADMN O=C(CCc1nnn[n-]1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571209693 953065785 /nfs/dbraw/zinc/06/57/85/953065785.db2.gz BCDVARDJIFZGBH-UHFFFAOYSA-N 0 1 382.432 0.047 20 0 GCADMN Cn1nccc1C(=O)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571209748 953066677 /nfs/dbraw/zinc/06/66/77/953066677.db2.gz COYSJNNTYPXIEV-GFCCVEGCSA-N 0 1 382.432 0.309 20 0 GCADMN O=C(Cn1cccn1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571210390 953072056 /nfs/dbraw/zinc/07/20/56/953072056.db2.gz QJVKOSPRCUUFGJ-CYBMUJFWSA-N 0 1 382.432 0.158 20 0 GCADMN Cc1cc(N2CCC[C@H](NC(=O)[C@@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211699 953079428 /nfs/dbraw/zinc/07/94/28/953079428.db2.gz FXMJKEUVZQHVOQ-OLZOCXBDSA-N 0 1 382.432 0.508 20 0 GCADMN Cc1nc(CC(=O)NC2CCN(c3nc(C)ccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC001571211808 953081995 /nfs/dbraw/zinc/08/19/95/953081995.db2.gz GGEVCWLXFZVITK-UHFFFAOYSA-N 0 1 382.432 0.324 20 0 GCADMN Cc1nn(C)cc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571212120 953083600 /nfs/dbraw/zinc/08/36/00/953083600.db2.gz JCXRTAXLJIOROF-DGCLKSJQSA-N 0 1 382.432 0.486 20 0 GCADMN Cn1ccc(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571213085 953092657 /nfs/dbraw/zinc/09/26/57/953092657.db2.gz QOPXWQCMSMCLHT-LBPRGKRZSA-N 0 1 382.432 0.309 20 0 GCADMN Cc1cc(NC[C@H]2CCCN2C(=O)CCn2ccnn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213064 953092666 /nfs/dbraw/zinc/09/26/66/953092666.db2.gz QJVREMSEHGEPKS-CYBMUJFWSA-N 0 1 382.432 0.077 20 0 GCADMN Cc1ccn([C@@H](C)CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571213872 953098204 /nfs/dbraw/zinc/09/82/04/953098204.db2.gz YAFOUBNBSRJXJC-QWHCGFSZSA-N 0 1 382.432 0.248 20 0 GCADMN Cc1nc(CC(=O)N[C@@H]2CCCN(c3nc(C)ccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571213881 953098485 /nfs/dbraw/zinc/09/84/85/953098485.db2.gz YCHYKFRDCYYRPZ-GFCCVEGCSA-N 0 1 382.432 0.324 20 0 GCADMN Cc1cc(N2CCCC[C@H]2CNC(=O)c2cnn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214148 953100508 /nfs/dbraw/zinc/10/05/08/953100508.db2.gz YNZQXHBOEJMGBX-LBPRGKRZSA-N 0 1 382.432 0.488 20 0 GCADMN CN1CCCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccc(-c2nn[nH]n2)nc1 ZINC001571214328 953102011 /nfs/dbraw/zinc/10/20/11/953102011.db2.gz XLMJTIAJHHFWBS-VZEFYGNVSA-N 0 1 382.472 0.972 20 0 GCADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1cncc(F)c1 ZINC001571216631 953102898 /nfs/dbraw/zinc/10/28/98/953102898.db2.gz AFRMEHUPPGAVIH-GFCCVEGCSA-N 0 1 383.391 0.836 20 0 GCADMN C[C@H](C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001571217639 953110219 /nfs/dbraw/zinc/11/02/19/953110219.db2.gz GQPSZRUKIOYSPL-ABKXIKBNSA-N 0 1 383.372 0.613 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571217682 953110225 /nfs/dbraw/zinc/11/02/25/953110225.db2.gz HXDZICDQMMQNRR-HLTSFMKQSA-N 0 1 382.881 0.987 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571217682 953110226 /nfs/dbraw/zinc/11/02/26/953110226.db2.gz HXDZICDQMMQNRR-HLTSFMKQSA-N 0 1 382.881 0.987 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571217682 953110227 /nfs/dbraw/zinc/11/02/27/953110227.db2.gz HXDZICDQMMQNRR-HLTSFMKQSA-N 0 1 382.881 0.987 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571217682 953110228 /nfs/dbraw/zinc/11/02/28/953110228.db2.gz HXDZICDQMMQNRR-HLTSFMKQSA-N 0 1 382.881 0.987 20 0 GCADMN CS[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571218911 953120381 /nfs/dbraw/zinc/12/03/81/953120381.db2.gz SLFXSSZZZHKAMW-QWRGUYRKSA-N 0 1 382.515 0.997 20 0 GCADMN CS[C@@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571218911 953120389 /nfs/dbraw/zinc/12/03/89/953120389.db2.gz SLFXSSZZZHKAMW-QWRGUYRKSA-N 0 1 382.515 0.997 20 0 GCADMN CS[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571218908 953120475 /nfs/dbraw/zinc/12/04/75/953120475.db2.gz SLFXSSZZZHKAMW-MNOVXSKESA-N 0 1 382.515 0.997 20 0 GCADMN CS[C@H](C)C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571218908 953120480 /nfs/dbraw/zinc/12/04/80/953120480.db2.gz SLFXSSZZZHKAMW-MNOVXSKESA-N 0 1 382.515 0.997 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571219051 953122369 /nfs/dbraw/zinc/12/23/69/953122369.db2.gz TTWZPUMXLSVRGS-IUCAKERBSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571219051 953122371 /nfs/dbraw/zinc/12/23/71/953122371.db2.gz TTWZPUMXLSVRGS-IUCAKERBSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571219051 953122374 /nfs/dbraw/zinc/12/23/74/953122374.db2.gz TTWZPUMXLSVRGS-IUCAKERBSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571219051 953122379 /nfs/dbraw/zinc/12/23/79/953122379.db2.gz TTWZPUMXLSVRGS-IUCAKERBSA-N 0 1 382.881 0.623 20 0 GCADMN COc1cncc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)n1 ZINC001571222484 953134981 /nfs/dbraw/zinc/13/49/81/953134981.db2.gz GJZVKFOWPCKLDU-GWCFXTLKSA-N 0 1 383.416 0.386 20 0 GCADMN COc1cc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nn1C ZINC001571222506 953135469 /nfs/dbraw/zinc/13/54/69/953135469.db2.gz HACTWBBKTIHVPK-MNOVXSKESA-N 0 1 383.416 0.141 20 0 GCADMN Cc1ncc(CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)o1 ZINC001571223360 953143146 /nfs/dbraw/zinc/14/31/46/953143146.db2.gz QCPIEOOGDPUYTE-CVEARBPZSA-N 0 1 383.412 0.067 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001571223281 953143639 /nfs/dbraw/zinc/14/36/39/953143639.db2.gz SFEVLUBQIZENEE-CYBMUJFWSA-N 0 1 383.416 0.340 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2ncoc2C)CC1 ZINC001571223495 953144105 /nfs/dbraw/zinc/14/41/05/953144105.db2.gz RPIWHPVRHDOPBA-UHFFFAOYSA-N 0 1 383.416 0.872 20 0 GCADMN CCc1cc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001571223677 953145877 /nfs/dbraw/zinc/14/58/77/953145877.db2.gz SKKAGZWSRIGHDQ-QGZVFWFLSA-N 0 1 383.416 0.593 20 0 GCADMN O=C(NC[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)CCCO1)c1ccon1 ZINC001571223763 953146225 /nfs/dbraw/zinc/14/62/25/953146225.db2.gz UMPACHVHMYCALS-CQSZACIVSA-N 0 1 383.412 0.876 20 0 GCADMN Cc1ncc(C(=O)N2C[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H](C)C2)[nH]1 ZINC001571224975 953151924 /nfs/dbraw/zinc/15/19/24/953151924.db2.gz HUCMHDPOEBUPJB-BXKDBHETSA-N 0 1 383.416 0.364 20 0 GCADMN Cc1cc(N2CCC[C@H](NC(=O)c3c[nH]c(=O)n3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571225155 953151960 /nfs/dbraw/zinc/15/19/60/953151960.db2.gz HXLNQWJXSWEZKI-NSHDSACASA-N 0 1 383.416 0.408 20 0 GCADMN Cc1noc(C)c1CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571225895 953154363 /nfs/dbraw/zinc/15/43/63/953154363.db2.gz NYIIAIRCMFLMPK-GFCCVEGCSA-N 0 1 383.416 0.329 20 0 GCADMN Cc1cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)no1 ZINC001571226686 953156976 /nfs/dbraw/zinc/15/69/76/953156976.db2.gz WAJKIMFARSWFAL-JQWIXIFHSA-N 0 1 383.416 0.409 20 0 GCADMN Cc1cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)no1 ZINC001571226688 953157137 /nfs/dbraw/zinc/15/71/37/953157137.db2.gz WAJKIMFARSWFAL-ZYHUDNBSSA-N 0 1 383.416 0.409 20 0 GCADMN Cc1cc(NC[C@@H]2CCCN2C(=O)c2c[nH]c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571226976 953157833 /nfs/dbraw/zinc/15/78/33/953157833.db2.gz YDRJURDUXHYZDX-NSHDSACASA-N 0 1 383.416 0.148 20 0 GCADMN CCn1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]2C)n1 ZINC001571227705 953158871 /nfs/dbraw/zinc/15/88/71/953158871.db2.gz AILXXWNRYKYPNG-WDEREUQCSA-N 0 1 383.420 0.055 20 0 GCADMN CN1CC(C(=O)NC[C@@H]2CCCN(c3ncccc3-c3nn[nH]n3)C2)=NC1=O ZINC001571227829 953159872 /nfs/dbraw/zinc/15/98/72/953159872.db2.gz CQCLSJGWOJEKFL-NSHDSACASA-N 0 1 383.416 0.347 20 0 GCADMN Cc1nonc1CC(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571228593 953165434 /nfs/dbraw/zinc/16/54/34/953165434.db2.gz TUBAKSDVHXLZHE-LBPRGKRZSA-N 0 1 383.416 0.411 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571228638 953166060 /nfs/dbraw/zinc/16/60/60/953166060.db2.gz ULBPETWOLCCQHN-CMPLNLGQSA-N 0 1 383.416 0.409 20 0 GCADMN Cn1c(C(=O)N[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c[nH]c1=O ZINC001571229039 953167456 /nfs/dbraw/zinc/16/74/56/953167456.db2.gz YTXPIPPKSOZXSI-WDEREUQCSA-N 0 1 383.416 0.276 20 0 GCADMN O=C(Cc1cscn1)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571230837 953180439 /nfs/dbraw/zinc/18/04/39/953180439.db2.gz LMVHCCISLSJGJS-UTUOFQBUSA-N 0 1 383.441 0.582 20 0 GCADMN Cc1ncsc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571231003 953181808 /nfs/dbraw/zinc/18/18/08/953181808.db2.gz PRMZJGBPVZSTON-MXWKQRLJSA-N 0 1 383.441 0.961 20 0 GCADMN CN(C)C(=O)[C@@H]1CCCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571230963 953181917 /nfs/dbraw/zinc/18/19/17/953181917.db2.gz OIPISLUMRXDIRO-ZBFHGGJFSA-N 0 1 383.456 0.772 20 0 GCADMN C[C@]12CN(C(=O)c3ccsn3)C[C@H]1CN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571230953 953181992 /nfs/dbraw/zinc/18/19/92/953181992.db2.gz OBUTZPSBBDZLIZ-HWPZZCPQSA-N 0 1 383.441 0.712 20 0 GCADMN CN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571231006 953182033 /nfs/dbraw/zinc/18/20/33/953182033.db2.gz PTDWTXKMETVGHI-HOTGEMCPSA-N 0 1 383.456 0.900 20 0 GCADMN COCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571231138 953183425 /nfs/dbraw/zinc/18/34/25/953183425.db2.gz UBBDMPHHEGHRCI-HNKHHVNMSA-N 0 1 383.456 0.890 20 0 GCADMN CCOC1CC2(C[C@@H]2C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571231131 953183472 /nfs/dbraw/zinc/18/34/72/953183472.db2.gz TWHAVBNRYIJPIA-WLJWTVCWSA-N 0 1 383.456 0.948 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571232482 953187547 /nfs/dbraw/zinc/18/75/47/953187547.db2.gz GHXXAFBZGPFJST-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571232482 953187549 /nfs/dbraw/zinc/18/75/49/953187549.db2.gz GHXXAFBZGPFJST-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc(-c2nnn[n-]2)n1 ZINC001571233404 953192167 /nfs/dbraw/zinc/19/21/67/953192167.db2.gz UOLCSTNJTKYSMR-GFCCVEGCSA-N 0 1 383.460 0.328 20 0 GCADMN CCc1nc(N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)cc(-c2nn[n-]n2)n1 ZINC001571233404 953192170 /nfs/dbraw/zinc/19/21/70/953192170.db2.gz UOLCSTNJTKYSMR-GFCCVEGCSA-N 0 1 383.460 0.328 20 0 GCADMN O=C(N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCC(=O)NC1 ZINC001571233496 953193168 /nfs/dbraw/zinc/19/31/68/953193168.db2.gz WOTNRVLRGJKHCK-JKSUJKDBSA-N 0 1 383.456 0.474 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nnn[n-]2)cn1 ZINC001571233743 953195295 /nfs/dbraw/zinc/19/52/95/953195295.db2.gz CEHIAQRRVNQNFU-KBPBESRZSA-N 0 1 383.460 0.322 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1CN2c1cnc(-c2nn[n-]n2)cn1 ZINC001571233743 953195297 /nfs/dbraw/zinc/19/52/97/953195297.db2.gz CEHIAQRRVNQNFU-KBPBESRZSA-N 0 1 383.460 0.322 20 0 GCADMN O=C(N[C@@H]1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)C12CC[NH+](CC1)C2 ZINC001571233878 953197117 /nfs/dbraw/zinc/19/71/17/953197117.db2.gz GPHLCJRZDUTYLM-QWHCGFSZSA-N 0 1 383.460 0.592 20 0 GCADMN O=C(N[C@@H]1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)C12CC[NH+](CC1)C2 ZINC001571233878 953197118 /nfs/dbraw/zinc/19/71/18/953197118.db2.gz GPHLCJRZDUTYLM-QWHCGFSZSA-N 0 1 383.460 0.592 20 0 GCADMN C[N@@H+](CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[nH]n3)C[C@H]2C1)C1CCC1 ZINC001571234057 953198461 /nfs/dbraw/zinc/19/84/61/953198461.db2.gz MATSFSXMSKHQCQ-BETUJISGSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@H+](CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CCC1 ZINC001571234057 953198464 /nfs/dbraw/zinc/19/84/64/953198464.db2.gz MATSFSXMSKHQCQ-BETUJISGSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@@H+](CC(=O)N1C[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C1)C1CCC1 ZINC001571234057 953198466 /nfs/dbraw/zinc/19/84/66/953198466.db2.gz MATSFSXMSKHQCQ-BETUJISGSA-N 0 1 383.460 0.036 20 0 GCADMN O=C(C[NH+]1CCCC1)N1CCC[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21 ZINC001571234137 953199109 /nfs/dbraw/zinc/19/91/09/953199109.db2.gz NXMMCUZPTPKEHC-DZGCQCFKSA-N 0 1 383.460 0.180 20 0 GCADMN O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571234213 953199811 /nfs/dbraw/zinc/19/98/11/953199811.db2.gz PYKDPASAWHSXQL-JSGCOSHPSA-N 0 1 383.460 0.259 20 0 GCADMN O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571234213 953199813 /nfs/dbraw/zinc/19/98/13/953199813.db2.gz PYKDPASAWHSXQL-JSGCOSHPSA-N 0 1 383.460 0.259 20 0 GCADMN O=C(N[C@@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)C12CCC[NH+](CCC1)C2 ZINC001571234392 953201209 /nfs/dbraw/zinc/20/12/09/953201209.db2.gz WCEXPXWZNIQMJS-CYBMUJFWSA-N 0 1 383.460 0.228 20 0 GCADMN O=C(N[C@@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)C12CCC[NH+](CCC1)C2 ZINC001571234392 953201211 /nfs/dbraw/zinc/20/12/11/953201211.db2.gz WCEXPXWZNIQMJS-CYBMUJFWSA-N 0 1 383.460 0.228 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571234358 953201558 /nfs/dbraw/zinc/20/15/58/953201558.db2.gz VECKBPZIQQHVDH-RDTXWAMCSA-N 0 1 383.460 0.180 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571234358 953201561 /nfs/dbraw/zinc/20/15/61/953201561.db2.gz VECKBPZIQQHVDH-RDTXWAMCSA-N 0 1 383.460 0.180 20 0 GCADMN CN(c1cncc(-c2nnn[n-]2)n1)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001571234344 953201744 /nfs/dbraw/zinc/20/17/44/953201744.db2.gz URUCHQRBGSTQTJ-KBPBESRZSA-N 0 1 383.460 0.036 20 0 GCADMN CN(c1cncc(-c2nn[n-]n2)n1)[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001571234344 953201746 /nfs/dbraw/zinc/20/17/46/953201746.db2.gz URUCHQRBGSTQTJ-KBPBESRZSA-N 0 1 383.460 0.036 20 0 GCADMN 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ASOBSWWOHLXUGF-KSSFIOAISA-N 0 1 388.468 0.808 20 0 GCADMN O=C([O-])C[N@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CCOCC1 ZINC000833247867 601046926 /nfs/dbraw/zinc/04/69/26/601046926.db2.gz YRQLDEZPZKVSOL-UHFFFAOYSA-N 0 1 389.452 0.761 20 0 GCADMN O=C([O-])C[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C1CCOCC1 ZINC000833247867 601046930 /nfs/dbraw/zinc/04/69/30/601046930.db2.gz YRQLDEZPZKVSOL-UHFFFAOYSA-N 0 1 389.452 0.761 20 0 GCADMN CC(=O)N(Cc1noc(C(C)C)n1)[C@@H]1CC[N@@H+](CCC(=O)NCC(=O)[O-])C1 ZINC000736131180 601114478 /nfs/dbraw/zinc/11/44/78/601114478.db2.gz TWSGKCKQBWORBM-CYBMUJFWSA-N 0 1 381.433 0.207 20 0 GCADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000736206838 601118811 /nfs/dbraw/zinc/11/88/11/601118811.db2.gz YMNSMJKEHZUFJH-DGCLKSJQSA-N 0 1 377.445 0.400 20 0 GCADMN NC(=O)c1cc([C@H]2CCC[N@H+](CC(=O)NC3(C(=O)[O-])CCCCC3)C2)n[nH]1 ZINC000739175971 601119334 /nfs/dbraw/zinc/11/93/34/601119334.db2.gz DNHDLPNBUKNHKI-LBPRGKRZSA-N 0 1 377.445 0.592 20 0 GCADMN NC(=O)c1cc([C@H]2CCC[N@@H+](CC(=O)NC3(C(=O)[O-])CCCCC3)C2)n[nH]1 ZINC000739175971 601119335 /nfs/dbraw/zinc/11/93/35/601119335.db2.gz DNHDLPNBUKNHKI-LBPRGKRZSA-N 0 1 377.445 0.592 20 0 GCADMN CC[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829786595 601151056 /nfs/dbraw/zinc/15/10/56/601151056.db2.gz OAXNUKVBCYQNNK-DGCLKSJQSA-N 0 1 396.469 0.572 20 0 GCADMN CC[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000829786595 601151058 /nfs/dbraw/zinc/15/10/58/601151058.db2.gz OAXNUKVBCYQNNK-DGCLKSJQSA-N 0 1 396.469 0.572 20 0 GCADMN COC(=O)c1ccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1C(=O)[O-] ZINC000831389267 601162499 /nfs/dbraw/zinc/16/24/99/601162499.db2.gz FFZJNIYDQNZRFN-UHFFFAOYSA-N 0 1 389.408 0.664 20 0 GCADMN Cc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1C(=O)[O-] ZINC000832939637 601166494 /nfs/dbraw/zinc/16/64/94/601166494.db2.gz IEVVMYBDLMMUSK-ZDUSSCGKSA-N 0 1 376.457 0.631 20 0 GCADMN 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CC[N@@H+]1C[C@H](NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)[O-])[C@@H](C)C1 ZINC000833657292 605041518 /nfs/dbraw/zinc/04/15/18/605041518.db2.gz MPSZMLAZYCRVFL-IUCAKERBSA-N 0 1 376.456 0.851 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCc1nnc2n1CCCCC2 ZINC000833621936 605043477 /nfs/dbraw/zinc/04/34/77/605043477.db2.gz CCABJTDENAGTLQ-CQSZACIVSA-N 0 1 378.477 0.737 20 0 GCADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000833627391 605051408 /nfs/dbraw/zinc/05/14/08/605051408.db2.gz XBLRBOCUPDGMBV-LBPRGKRZSA-N 0 1 398.410 0.885 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCNC(=O)c1ccc(F)cc1 ZINC000833624939 605051944 /nfs/dbraw/zinc/05/19/44/605051944.db2.gz MDOMLGHDRYOYGG-CYBMUJFWSA-N 0 1 380.420 0.746 20 0 GCADMN COC(=O)c1cccc(S(=O)(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1C ZINC000833716491 605061586 /nfs/dbraw/zinc/06/15/86/605061586.db2.gz IUYZXORUAAODRR-LBPRGKRZSA-N 0 1 384.454 0.951 20 0 GCADMN COC(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1C ZINC000833716491 605061590 /nfs/dbraw/zinc/06/15/90/605061590.db2.gz IUYZXORUAAODRR-LBPRGKRZSA-N 0 1 384.454 0.951 20 0 GCADMN CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@@H+](CCC(=O)[O-])C[C@@H]3C)cc21 ZINC000833392048 605061663 /nfs/dbraw/zinc/06/16/63/605061663.db2.gz QYYDZPNGPVSQII-ZDUSSCGKSA-N 0 1 395.481 0.765 20 0 GCADMN CC(=O)N1CCc2ccc(S(=O)(=O)N3CC[N@H+](CCC(=O)[O-])C[C@@H]3C)cc21 ZINC000833392048 605061667 /nfs/dbraw/zinc/06/16/67/605061667.db2.gz QYYDZPNGPVSQII-ZDUSSCGKSA-N 0 1 395.481 0.765 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000833618512 605095695 /nfs/dbraw/zinc/09/56/95/605095695.db2.gz BUKYHRHZADUJLS-CVEARBPZSA-N 0 1 380.489 0.922 20 0 GCADMN O=C([O-])[C@H](C1CC1)[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000833785868 605131535 /nfs/dbraw/zinc/13/15/35/605131535.db2.gz CFBCRJQOIFPEKM-INIZCTEOSA-N 0 1 395.437 0.187 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC000833618574 605165182 /nfs/dbraw/zinc/16/51/82/605165182.db2.gz DAZAAIUKUGQMBS-CZUORRHYSA-N 0 1 387.440 0.114 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc(N2NC(=O)CCC2=O)cc1 ZINC000833626580 605166280 /nfs/dbraw/zinc/16/62/80/605166280.db2.gz PPZGPABLEZPUDM-CYBMUJFWSA-N 0 1 388.424 0.466 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1 ZINC000833623124 605204754 /nfs/dbraw/zinc/20/47/54/605204754.db2.gz DOLDAGHCQMLJRW-BLVKFPJESA-N 0 1 388.424 0.362 20 0 GCADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1CCN(C(=O)c2cccnc2)CC1 ZINC000833624596 605206161 /nfs/dbraw/zinc/20/61/61/605206161.db2.gz VMUUMUAOSPRMLJ-HNNXBMFYSA-N 0 1 388.468 0.941 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000833625286 605206896 /nfs/dbraw/zinc/20/68/96/605206896.db2.gz KRBSKLRJZFKBFV-BLVKFPJESA-N 0 1 388.424 0.362 20 0 GCADMN C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000833618759 605244210 /nfs/dbraw/zinc/24/42/10/605244210.db2.gz FQYWMVIQHKNFAH-WBVHZDCISA-N 0 1 375.469 0.791 20 0 GCADMN C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)Cc1ccccc1C(=O)[O-] ZINC000833618759 605244211 /nfs/dbraw/zinc/24/42/11/605244211.db2.gz FQYWMVIQHKNFAH-WBVHZDCISA-N 0 1 375.469 0.791 20 0 GCADMN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833621497 605252477 /nfs/dbraw/zinc/25/24/77/605252477.db2.gz KBYJQALPKXPKDM-ZDUSSCGKSA-N 0 1 395.481 0.748 20 0 GCADMN Cc1sc2ncc(C(=O)N3CC[N@H+](CCC(=O)[O-])C[C@H]3C)c(=O)n2c1C ZINC000833758618 605268370 /nfs/dbraw/zinc/26/83/70/605268370.db2.gz HTSDUDRBMUUGGT-SNVBAGLBSA-N 0 1 378.454 0.994 20 0 GCADMN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+](CCC(=O)[O-])[C@H](C)C1 ZINC000833522770 605276001 /nfs/dbraw/zinc/27/60/01/605276001.db2.gz FLXXSCKFSKNXDK-VXGBXAGGSA-N 0 1 389.499 0.422 20 0 GCADMN C[C@H]1CN(C(=O)Cc2csc(N3CCCC3=O)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833621009 605276648 /nfs/dbraw/zinc/27/66/48/605276648.db2.gz HKRBBQAPNHKRIW-LBPRGKRZSA-N 0 1 380.470 0.820 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC[N@H+]1CCC(=O)[O-] ZINC000833621661 605277689 /nfs/dbraw/zinc/27/76/89/605277689.db2.gz LAEMZZKRQMYVGY-CYBMUJFWSA-N 0 1 388.424 0.359 20 0 GCADMN C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1Cc1ccc(OCC(=O)[O-])cc1 ZINC000833621261 605296431 /nfs/dbraw/zinc/29/64/31/605296431.db2.gz MZXCWLDPHNQWIC-QFBILLFUSA-N 0 1 377.485 0.987 20 0 GCADMN O=C1[C@H](N2CCC[C@@H](Cn3ccnn3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476714 607749120 /nfs/dbraw/zinc/74/91/20/607749120.db2.gz NFUUCBXONSDOHC-RHSMWYFYSA-N 0 1 393.455 0.976 20 0 GCADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000833404351 605503579 /nfs/dbraw/zinc/50/35/79/605503579.db2.gz PFGOTOGGSUQKHO-UBLGTCEWSA-N 0 1 392.544 0.941 20 0 GCADMN C[N@@H+](CCO)C1CCN(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)CC1 ZINC000833693564 605508085 /nfs/dbraw/zinc/50/80/85/605508085.db2.gz DTFLARMFWWFXRX-UHFFFAOYSA-N 0 1 378.429 0.421 20 0 GCADMN C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000824886420 607767754 /nfs/dbraw/zinc/76/77/54/607767754.db2.gz YPEJKQCRSVANLS-QWRGUYRKSA-N 0 1 391.436 0.220 20 0 GCADMN O=C([O-])N1CCC[C@H](NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000739401531 605662621 /nfs/dbraw/zinc/66/26/21/605662621.db2.gz CGRXXELQHNRLOG-IRXDYDNUSA-N 0 1 376.457 0.847 20 0 GCADMN COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(NC(C)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000833706958 605685652 /nfs/dbraw/zinc/68/56/52/605685652.db2.gz JBBLLKRDXDOVHB-KMFMINBZSA-N 0 1 394.424 0.723 20 0 GCADMN COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000833724435 605919956 /nfs/dbraw/zinc/91/99/56/605919956.db2.gz MUPIHLVVINJBLR-JTQLQIEISA-N 0 1 385.367 0.829 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-])C[NH+]1CCOCC1 ZINC000833518339 605922551 /nfs/dbraw/zinc/92/25/51/605922551.db2.gz YONGYCYSFHSXTL-JTQLQIEISA-N 0 1 385.367 0.686 20 0 GCADMN O=C(CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)Nc1ccc2[nH]nnc2c1 ZINC000823055779 606022356 /nfs/dbraw/zinc/02/23/56/606022356.db2.gz VYWYUKWAZQIXOC-UHFFFAOYSA-N 0 1 398.408 0.692 20 0 GCADMN CNC(=O)c1ccc(N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)nn1 ZINC000821635199 606035196 /nfs/dbraw/zinc/03/51/96/606035196.db2.gz QWJWHMGEMJPFRT-UHFFFAOYSA-N 0 1 396.415 0.208 20 0 GCADMN OCCCCN1CCN(Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)CC1 ZINC000823718744 606090150 /nfs/dbraw/zinc/09/01/50/606090150.db2.gz ZSJYNEMYNKNOOT-UHFFFAOYSA-N 0 1 384.444 0.807 20 0 GCADMN Cc1oc(NC(=O)[C@@H](C)N2CCN(CCCCO)CC2)c(-c2nn[nH]n2)c1C ZINC000822542214 606090773 /nfs/dbraw/zinc/09/07/73/606090773.db2.gz VLSIBZMIPIPXHE-CYBMUJFWSA-N 0 1 391.476 0.794 20 0 GCADMN O=C(CN1CCN(CCCCO)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000822996494 606090930 /nfs/dbraw/zinc/09/09/30/606090930.db2.gz FFWCOVVTBYKXHD-UHFFFAOYSA-N 0 1 393.879 0.849 20 0 GCADMN C/C=C(\C)C(=O)OCC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000820827666 606191557 /nfs/dbraw/zinc/19/15/57/606191557.db2.gz VQABRLSVPGPPPW-ONNFQVAWSA-N 0 1 375.389 0.321 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCO[C@H](c2n[nH]c(C)n2)C1 ZINC000821763454 606194195 /nfs/dbraw/zinc/19/41/95/606194195.db2.gz YVDNXRRHQHVSRJ-ZDUSSCGKSA-N 0 1 385.388 0.907 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000821763453 606194320 /nfs/dbraw/zinc/19/43/20/606194320.db2.gz YVDNXRRHQHVSRJ-CYBMUJFWSA-N 0 1 385.388 0.907 20 0 GCADMN COC1CCN(CCNS(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821680062 606202136 /nfs/dbraw/zinc/20/21/36/606202136.db2.gz YFTRFBJVINICPP-UHFFFAOYSA-N 0 1 380.474 0.397 20 0 GCADMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC000820134043 606270600 /nfs/dbraw/zinc/27/06/00/606270600.db2.gz WACYYZMVOYBSLS-HNNXBMFYSA-N 0 1 388.476 0.062 20 0 GCADMN CCN1CCN(c2ccc(CNC(=O)c3cc(-c4nn[nH]n4)cn3C)cn2)CC1 ZINC000821276329 606279953 /nfs/dbraw/zinc/27/99/53/606279953.db2.gz JGPVUEIPPNMNPK-UHFFFAOYSA-N 0 1 395.471 0.672 20 0 GCADMN CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1=O ZINC000821266458 606292332 /nfs/dbraw/zinc/29/23/32/606292332.db2.gz DGYBUYLYGQYUNV-KBPBESRZSA-N 0 1 399.455 0.844 20 0 GCADMN CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])CC1=O ZINC000821266458 606292334 /nfs/dbraw/zinc/29/23/34/606292334.db2.gz DGYBUYLYGQYUNV-KBPBESRZSA-N 0 1 399.455 0.844 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCC[C@@H](O)C(F)(F)F)cc1-c1nn[nH]n1 ZINC000821979689 606297576 /nfs/dbraw/zinc/29/75/76/606297576.db2.gz UZHJFVZBYYUUEU-SSDOTTSWSA-N 0 1 378.336 0.732 20 0 GCADMN CC(C)(O)CN1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000819991574 606318581 /nfs/dbraw/zinc/31/85/81/606318581.db2.gz JDGWXZHEGPPRNQ-CYBMUJFWSA-N 0 1 391.501 0.422 20 0 GCADMN COC(=O)[C@@H](c1cccc(-c2nn[nH]n2)c1)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000821652532 606331123 /nfs/dbraw/zinc/33/11/23/606331123.db2.gz UZMDIVINKFBFSJ-ZIAGYGMSSA-N 0 1 384.400 0.581 20 0 GCADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000820741409 606333879 /nfs/dbraw/zinc/33/38/79/606333879.db2.gz CSASYNOUJBTUKF-CKEIUWERSA-N 0 1 385.472 0.846 20 0 GCADMN C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)N1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000820741912 606333985 /nfs/dbraw/zinc/33/39/85/606333985.db2.gz GKNQJVFLTDNTCU-CKEIUWERSA-N 0 1 385.472 0.846 20 0 GCADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000823249558 606602649 /nfs/dbraw/zinc/60/26/49/606602649.db2.gz DNJFMOXVQSNEHM-ZDUSSCGKSA-N 0 1 389.435 0.870 20 0 GCADMN O=C(NCc1cc(-c2nn[nH]n2)ccc1F)N1CCN(C[C@H]2CCOC2)CC1 ZINC000823233775 606602661 /nfs/dbraw/zinc/60/26/61/606602661.db2.gz IJYORESYQKBASN-CYBMUJFWSA-N 0 1 389.435 0.870 20 0 GCADMN CCOCCNC(=O)CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000821378661 606612446 /nfs/dbraw/zinc/61/24/46/606612446.db2.gz RMSZNOJZYDQXJC-UHFFFAOYSA-N 0 1 390.448 0.007 20 0 GCADMN Cc1nc([C@H]2CN(C(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)CCO2)n[nH]1 ZINC000822414367 606687719 /nfs/dbraw/zinc/68/77/19/606687719.db2.gz CTYJURDBEUEDCU-LLVKDONJSA-N 0 1 376.327 0.785 20 0 GCADMN COC(=O)[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C[C@H]1C ZINC000821655564 606698137 /nfs/dbraw/zinc/69/81/37/606698137.db2.gz NKCBYUFMCCHNLQ-XCBNKYQSSA-N 0 1 378.414 0.570 20 0 GCADMN C[C@H](C(=O)NCC(F)(F)F)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857814 606699275 /nfs/dbraw/zinc/69/92/75/606699275.db2.gz VPJDWNUTCSTOOW-SSDOTTSWSA-N 0 1 375.359 0.103 20 0 GCADMN C[C@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857814 606699277 /nfs/dbraw/zinc/69/92/77/606699277.db2.gz VPJDWNUTCSTOOW-SSDOTTSWSA-N 0 1 375.359 0.103 20 0 GCADMN C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819856372 606699362 /nfs/dbraw/zinc/69/93/62/606699362.db2.gz JMROAMWJNXNAQV-LLVKDONJSA-N 0 1 375.481 0.874 20 0 GCADMN C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819856372 606699365 /nfs/dbraw/zinc/69/93/65/606699365.db2.gz JMROAMWJNXNAQV-LLVKDONJSA-N 0 1 375.481 0.874 20 0 GCADMN 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GCADMN CN(CCc1ccc(Br)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821604957 607215298 /nfs/dbraw/zinc/21/52/98/607215298.db2.gz ORJUAHXTWJIRQC-UHFFFAOYSA-N 0 1 391.233 0.922 20 0 GCADMN CSCC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc2ccccc2[nH]1 ZINC000821962044 607215446 /nfs/dbraw/zinc/21/54/46/607215446.db2.gz OHFUHVUHIGOOJF-GFCCVEGCSA-N 0 1 398.456 0.945 20 0 GCADMN CCN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000821154064 607216032 /nfs/dbraw/zinc/21/60/32/607216032.db2.gz IFLHUYPJAHJBIH-ZDUSSCGKSA-N 0 1 381.400 0.112 20 0 GCADMN COc1cc(F)c([C@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OC ZINC000821719728 607217549 /nfs/dbraw/zinc/21/75/49/607217549.db2.gz IMCCMIACBBQKLG-QMMMGPOBSA-N 0 1 376.352 0.492 20 0 GCADMN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000822205967 607217716 /nfs/dbraw/zinc/21/77/16/607217716.db2.gz PDHKIIMQHKIPGQ-CYBMUJFWSA-N 0 1 385.407 0.691 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000823136204 607218428 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ZINC000821657103 607221011 /nfs/dbraw/zinc/22/10/11/607221011.db2.gz HURJPRZBTZHLFW-LLVKDONJSA-N 0 1 390.791 0.532 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000823126053 607221330 /nfs/dbraw/zinc/22/13/30/607221330.db2.gz GOGLVAAYDPSYLV-CYBMUJFWSA-N 0 1 382.306 0.025 20 0 GCADMN Cc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)[C@H](C)C2)cc1C ZINC000822242176 607221378 /nfs/dbraw/zinc/22/13/78/607221378.db2.gz CNVMXCVYLVNKDH-CQSZACIVSA-N 0 1 381.444 0.812 20 0 GCADMN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820087416 607221742 /nfs/dbraw/zinc/22/17/42/607221742.db2.gz RJMJQOGBTAOCJY-AWEZNQCLSA-N 0 1 388.407 0.816 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000823122684 607222106 /nfs/dbraw/zinc/22/21/06/607222106.db2.gz GETIJZPANJAFHM-OAHLLOKOSA-N 0 1 382.428 0.709 20 0 GCADMN CCOCCOc1cc(C)ccc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821384122 607222293 /nfs/dbraw/zinc/22/22/93/607222293.db2.gz QEBUYKUCOYDCFN-UHFFFAOYSA-N 0 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ZINC000820703442 607224313 /nfs/dbraw/zinc/22/43/13/607224313.db2.gz FMZAYEKLWYLYTA-AWEZNQCLSA-N 0 1 387.492 0.961 20 0 GCADMN Cc1nc([C@@H]2CN(C(=O)c3ncc(-c4nn[nH]n4)cc3Cl)CCO2)n[nH]1 ZINC000822414437 607234490 /nfs/dbraw/zinc/23/44/90/607234490.db2.gz FSILUBZHTPSGPZ-JTQLQIEISA-N 0 1 375.780 0.555 20 0 GCADMN O=C(CN1CCC(Cn2ccnn2)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410453 607801515 /nfs/dbraw/zinc/80/15/15/607801515.db2.gz OAULZWMMFXGJLM-UHFFFAOYSA-N 0 1 381.444 0.487 20 0 GCADMN C[C@H]1C[C@@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C[N@H+]1Cc1ccccc1 ZINC000824874688 607802920 /nfs/dbraw/zinc/80/29/20/607802920.db2.gz FWFGDRZHVMCBGN-GOEBONIOSA-N 0 1 395.471 0.875 20 0 GCADMN C[C@H]1C[C@@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[N@@H+]1Cc1ccccc1 ZINC000824874688 607802921 /nfs/dbraw/zinc/80/29/21/607802921.db2.gz FWFGDRZHVMCBGN-GOEBONIOSA-N 0 1 395.471 0.875 20 0 GCADMN C[C@H]1C[C@@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[N@H+]1Cc1ccccc1 ZINC000824874688 607802922 /nfs/dbraw/zinc/80/29/22/607802922.db2.gz FWFGDRZHVMCBGN-GOEBONIOSA-N 0 1 395.471 0.875 20 0 GCADMN CN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN(C)C1 ZINC000826030041 607829062 /nfs/dbraw/zinc/82/90/62/607829062.db2.gz ZZNXAKOHBWITPT-CQSZACIVSA-N 0 1 378.502 0.914 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CSC3CCOCC3)CC2)o1 ZINC000826322843 607894274 /nfs/dbraw/zinc/89/42/74/607894274.db2.gz DKNLFSWJFZHZEA-UHFFFAOYSA-N 0 1 393.473 0.724 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(CCCO)Cc1cccc(Cl)c1 ZINC000826425227 607944328 /nfs/dbraw/zinc/94/43/28/607944328.db2.gz VJLKXQLPPHGWLW-UHFFFAOYSA-N 0 1 376.808 0.523 20 0 GCADMN Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n(C)c1=O ZINC000826029381 607968117 /nfs/dbraw/zinc/96/81/17/607968117.db2.gz RQRFICPNDRFIDH-TZMCWYRMSA-N 0 1 382.428 0.121 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n(C)c1=O ZINC000826029381 607968118 /nfs/dbraw/zinc/96/81/18/607968118.db2.gz RQRFICPNDRFIDH-TZMCWYRMSA-N 0 1 382.428 0.121 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n(C)c1=O ZINC000826029381 607968119 /nfs/dbraw/zinc/96/81/19/607968119.db2.gz RQRFICPNDRFIDH-TZMCWYRMSA-N 0 1 382.428 0.121 20 0 GCADMN CCn1cc(C(=O)C(=O)N(CCN(C)C)Cc2cccc(-c3nn[nH]n3)c2)cn1 ZINC000825799243 607979163 /nfs/dbraw/zinc/97/91/63/607979163.db2.gz GGPDROTVYOBWHC-UHFFFAOYSA-N 0 1 396.455 0.856 20 0 GCADMN CCOC(=O)CC1(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)CCCCC1 ZINC000825506115 607999448 /nfs/dbraw/zinc/99/94/48/607999448.db2.gz FBLUZSJQYRCYKG-UHFFFAOYSA-N 0 1 376.421 0.478 20 0 GCADMN COCCN1CCC[C@H]1CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826159881 608002384 /nfs/dbraw/zinc/00/23/84/608002384.db2.gz WJXBCVREYUZTNB-AWEZNQCLSA-N 0 1 398.464 0.536 20 0 GCADMN O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000826485867 608002607 /nfs/dbraw/zinc/00/26/07/608002607.db2.gz GGJKXNPVMUNBRV-ZIAGYGMSSA-N 0 1 396.448 0.288 20 0 GCADMN CCOC(=O)C1=C(Cn2ccnc2-c2nn[nH]n2)NC(=O)N[C@H]1c1ccccc1 ZINC000825498670 608012926 /nfs/dbraw/zinc/01/29/26/608012926.db2.gz ADOUTSGHPYEAOY-AWEZNQCLSA-N 0 1 394.395 0.935 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826073130 608018784 /nfs/dbraw/zinc/01/87/84/608018784.db2.gz GGARNMZKMQOMQH-NSHDSACASA-N 0 1 397.443 0.499 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826073130 608018785 /nfs/dbraw/zinc/01/87/85/608018785.db2.gz GGARNMZKMQOMQH-NSHDSACASA-N 0 1 397.443 0.499 20 0 GCADMN CCc1nc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cs1 ZINC000825744767 608019471 /nfs/dbraw/zinc/01/94/71/608019471.db2.gz DUMLQAPAMCCHTD-UHFFFAOYSA-N 0 1 375.462 0.942 20 0 GCADMN CCc1nc(CC(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cs1 ZINC000825744767 608019472 /nfs/dbraw/zinc/01/94/72/608019472.db2.gz DUMLQAPAMCCHTD-UHFFFAOYSA-N 0 1 375.462 0.942 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1-c1nnn[n-]1 ZINC000826077701 608019528 /nfs/dbraw/zinc/01/95/28/608019528.db2.gz RAVHUMWGTAZLNS-BONVTDFDSA-N 0 1 398.427 0.909 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1-c1nn[n-]n1 ZINC000826077701 608019529 /nfs/dbraw/zinc/01/95/29/608019529.db2.gz RAVHUMWGTAZLNS-BONVTDFDSA-N 0 1 398.427 0.909 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1-c1nnn[n-]1 ZINC000826077702 608019590 /nfs/dbraw/zinc/01/95/90/608019590.db2.gz RAVHUMWGTAZLNS-MEBBXXQBSA-N 0 1 398.427 0.909 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1-c1nn[n-]n1 ZINC000826077702 608019591 /nfs/dbraw/zinc/01/95/91/608019591.db2.gz RAVHUMWGTAZLNS-MEBBXXQBSA-N 0 1 398.427 0.909 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1-c1nnn[n-]1 ZINC000826083789 608019889 /nfs/dbraw/zinc/01/98/89/608019889.db2.gz QRUMSPMDFURDNQ-UHFFFAOYSA-N 0 1 396.415 0.586 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C)c1-c1nn[n-]n1 ZINC000826083789 608019890 /nfs/dbraw/zinc/01/98/90/608019890.db2.gz QRUMSPMDFURDNQ-UHFFFAOYSA-N 0 1 396.415 0.586 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826083986 608020011 /nfs/dbraw/zinc/02/00/11/608020011.db2.gz SWIUVMLBPJYETA-UHFFFAOYSA-N 0 1 384.400 0.765 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826083986 608020012 /nfs/dbraw/zinc/02/00/12/608020012.db2.gz SWIUVMLBPJYETA-UHFFFAOYSA-N 0 1 384.400 0.765 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)NC(=O)CO3)c1-c1nnn[n-]1 ZINC000826082866 608020481 /nfs/dbraw/zinc/02/04/81/608020481.db2.gz CFUVQLRUCYGBGX-UHFFFAOYSA-N 0 1 397.399 0.325 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3c(c2)NC(=O)CO3)c1-c1nn[n-]n1 ZINC000826082866 608020482 /nfs/dbraw/zinc/02/04/82/608020482.db2.gz CFUVQLRUCYGBGX-UHFFFAOYSA-N 0 1 397.399 0.325 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1-c1nnn[n-]1 ZINC000826083093 608021617 /nfs/dbraw/zinc/02/16/17/608021617.db2.gz INRNAGLRQZLRRY-UHFFFAOYSA-N 0 1 395.431 0.584 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3c(c2)c(C)nn3C)c1-c1nn[n-]n1 ZINC000826083093 608021618 /nfs/dbraw/zinc/02/16/18/608021618.db2.gz INRNAGLRQZLRRY-UHFFFAOYSA-N 0 1 395.431 0.584 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCN(C)C(=O)OC)c1-c1nnn[n-]1 ZINC000826077431 608022163 /nfs/dbraw/zinc/02/21/63/608022163.db2.gz HXIVFDUPLGZRIV-UHFFFAOYSA-N 0 1 379.425 0.159 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCN(C)C(=O)OC)c1-c1nn[n-]n1 ZINC000826077431 608022164 /nfs/dbraw/zinc/02/21/64/608022164.db2.gz HXIVFDUPLGZRIV-UHFFFAOYSA-N 0 1 379.425 0.159 20 0 GCADMN Cc1cccc(OC[C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826300246 608035432 /nfs/dbraw/zinc/03/54/32/608035432.db2.gz NKCGHBRTRQTLHB-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1cccc(OC[C@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826300246 608035433 /nfs/dbraw/zinc/03/54/33/608035433.db2.gz NKCGHBRTRQTLHB-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1cccc(OC[C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826300246 608035434 /nfs/dbraw/zinc/03/54/34/608035434.db2.gz NKCGHBRTRQTLHB-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1cccc(OC[C@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826300246 608035435 /nfs/dbraw/zinc/03/54/35/608035435.db2.gz NKCGHBRTRQTLHB-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCC(F)(F)F)c1-c1nnn[n-]1 ZINC000826077883 608077185 /nfs/dbraw/zinc/07/71/85/608077185.db2.gz YQAPEIGVOZFZMF-UHFFFAOYSA-N 0 1 378.384 0.976 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CSCC(F)(F)F)c1-c1nn[n-]n1 ZINC000826077883 608077186 /nfs/dbraw/zinc/07/71/86/608077186.db2.gz YQAPEIGVOZFZMF-UHFFFAOYSA-N 0 1 378.384 0.976 20 0 GCADMN CCN1CCN(CC(=O)NCc2nc(-c3cccc(-c4nn[nH]n4)c3)c[nH]2)CC1 ZINC000825460447 608189519 /nfs/dbraw/zinc/18/95/19/608189519.db2.gz XMJFGNNXXGYBJW-UHFFFAOYSA-N 0 1 395.471 0.511 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1-c1nn[nH]n1 ZINC000826229447 608209823 /nfs/dbraw/zinc/20/98/23/608209823.db2.gz DYPNZZYSVCQVBA-MRVPVSSYSA-N 0 1 391.413 0.356 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)C(=O)c1nnc2ccccc2c1O ZINC000825935263 608211493 /nfs/dbraw/zinc/21/14/93/608211493.db2.gz YDDCGRRVYMZMGJ-UHFFFAOYSA-N 0 1 394.399 0.526 20 0 GCADMN O=C(CNc1ccc(-c2nn[nH]n2)cn1)N1CCC(CN2CCOCC2)CC1 ZINC000826413455 608219633 /nfs/dbraw/zinc/21/96/33/608219633.db2.gz GDRXCDVFCAHLGM-UHFFFAOYSA-N 0 1 386.460 0.244 20 0 GCADMN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cn1 ZINC000826393212 608220906 /nfs/dbraw/zinc/22/09/06/608220906.db2.gz HWUVUUHLLYZJHU-UHFFFAOYSA-N 0 1 379.789 0.815 20 0 GCADMN Nc1nc(-n2cccn2)cc(N2CCN(c3ccccc3-c3nn[nH]n3)CC2)n1 ZINC000826396070 608225581 /nfs/dbraw/zinc/22/55/81/608225581.db2.gz FKTXOLPJTLRCOX-UHFFFAOYSA-N 0 1 389.427 0.751 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn3ccc(C)cc23)c1-c1nnn[n-]1 ZINC000826084051 608338995 /nfs/dbraw/zinc/33/89/95/608338995.db2.gz UMNVSEIGZLEITG-UHFFFAOYSA-N 0 1 380.416 0.950 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn3ccc(C)cc23)c1-c1nn[n-]n1 ZINC000826084051 608338997 /nfs/dbraw/zinc/33/89/97/608338997.db2.gz UMNVSEIGZLEITG-UHFFFAOYSA-N 0 1 380.416 0.950 20 0 GCADMN Cn1[nH]cnc1=NC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826367032 608339675 /nfs/dbraw/zinc/33/96/75/608339675.db2.gz JAFUZCWCDHLBJN-UHFFFAOYSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824401277 608351127 /nfs/dbraw/zinc/35/11/27/608351127.db2.gz PIDXEHIMDQLYMJ-JTQLQIEISA-N 0 1 377.453 0.213 20 0 GCADMN C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824401277 608351129 /nfs/dbraw/zinc/35/11/29/608351129.db2.gz PIDXEHIMDQLYMJ-JTQLQIEISA-N 0 1 377.453 0.213 20 0 GCADMN CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825412807 608351841 /nfs/dbraw/zinc/35/18/41/608351841.db2.gz UVHZQHKOZVGUJS-NSHDSACASA-N 0 1 391.480 0.603 20 0 GCADMN CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825412807 608351843 /nfs/dbraw/zinc/35/18/43/608351843.db2.gz UVHZQHKOZVGUJS-NSHDSACASA-N 0 1 391.480 0.603 20 0 GCADMN C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825855559 608353513 /nfs/dbraw/zinc/35/35/13/608353513.db2.gz HRFFSZVGVUKCAH-UHFFFAOYSA-N 0 1 391.480 0.461 20 0 GCADMN C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825855559 608353515 /nfs/dbraw/zinc/35/35/15/608353515.db2.gz HRFFSZVGVUKCAH-UHFFFAOYSA-N 0 1 391.480 0.461 20 0 GCADMN CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825066267 608353715 /nfs/dbraw/zinc/35/37/15/608353715.db2.gz ARUCMRANXOFPAC-LLVKDONJSA-N 0 1 391.480 0.603 20 0 GCADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825066267 608353718 /nfs/dbraw/zinc/35/37/18/608353718.db2.gz ARUCMRANXOFPAC-LLVKDONJSA-N 0 1 391.480 0.603 20 0 GCADMN CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825066267 608353719 /nfs/dbraw/zinc/35/37/19/608353719.db2.gz ARUCMRANXOFPAC-LLVKDONJSA-N 0 1 391.480 0.603 20 0 GCADMN CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825066267 608353721 /nfs/dbraw/zinc/35/37/21/608353721.db2.gz ARUCMRANXOFPAC-LLVKDONJSA-N 0 1 391.480 0.603 20 0 GCADMN CCOC[C@H](O)CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825590270 608359009 /nfs/dbraw/zinc/35/90/09/608359009.db2.gz RWPHFTLVASPMTQ-MRXNPFEDSA-N 0 1 376.461 0.390 20 0 GCADMN CCc1nc([C@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000825739801 608362826 /nfs/dbraw/zinc/36/28/26/608362826.db2.gz KJSHGFLNAXMKAX-GFCCVEGCSA-N 0 1 397.399 0.086 20 0 GCADMN CCC[C@@H]1CN([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825254164 608375724 /nfs/dbraw/zinc/37/57/24/608375724.db2.gz QRYJYIIAHMFMNM-IAGOWNOFSA-N 0 1 387.488 0.826 20 0 GCADMN CCN1CCOC[C@@H]1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825466359 608386965 /nfs/dbraw/zinc/38/69/65/608386965.db2.gz ZXOXBOITWWTBQZ-GOSISDBHSA-N 0 1 399.499 0.622 20 0 GCADMN C[C@H](CN1CCOCC1)C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824414085 608387945 /nfs/dbraw/zinc/38/79/45/608387945.db2.gz TVBNXGSNXOUYHO-MRXNPFEDSA-N 0 1 399.499 0.874 20 0 GCADMN CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)cn1C ZINC000378434805 608390769 /nfs/dbraw/zinc/39/07/69/608390769.db2.gz MCJFIYZPCHRVEW-UHFFFAOYSA-N 0 1 375.414 0.708 20 0 GCADMN CCN(CC)CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000825411898 608471944 /nfs/dbraw/zinc/47/19/44/608471944.db2.gz GYCPZSVLZKKNJW-ZDUSSCGKSA-N 0 1 395.489 0.166 20 0 GCADMN CCN(CC)CCN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H]1CCS(=O)(=O)C1 ZINC000825412105 608472273 /nfs/dbraw/zinc/47/22/73/608472273.db2.gz KEQAPZDTGVIJBL-LBPRGKRZSA-N 0 1 395.489 0.166 20 0 GCADMN CN(CC1CCOCC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000825914784 608486592 /nfs/dbraw/zinc/48/65/92/608486592.db2.gz NXVJGGGWELCIIT-LJQANCHMSA-N 0 1 399.455 0.950 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000826425211 608491995 /nfs/dbraw/zinc/49/19/95/608491995.db2.gz UJWKRNXDAXGJPD-UHFFFAOYSA-N 0 1 397.226 0.786 20 0 GCADMN CC(C)(CNC(=O)CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCOCC1 ZINC000824157185 608528732 /nfs/dbraw/zinc/52/87/32/608528732.db2.gz COZJLYGRXMWCPX-UHFFFAOYSA-N 0 1 399.499 0.672 20 0 GCADMN CNC(=O)[C@@H](NCC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1)C(C)C ZINC000826051372 608533918 /nfs/dbraw/zinc/53/39/18/608533918.db2.gz KWVPDOPETXBTLU-HNNXBMFYSA-N 0 1 397.443 0.351 20 0 GCADMN COc1ccccc1COC1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000826220416 608591662 /nfs/dbraw/zinc/59/16/62/608591662.db2.gz MYGUJWQBACYTDN-UHFFFAOYSA-N 0 1 398.427 0.675 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](CO)c1cccc(Br)c1 ZINC000826424829 608591697 /nfs/dbraw/zinc/59/16/97/608591697.db2.gz FHXPVABGQUCIHL-SNVBAGLBSA-N 0 1 393.205 0.071 20 0 GCADMN C[C@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)[C@@H](C)CN1C ZINC000824978330 608597298 /nfs/dbraw/zinc/59/72/98/608597298.db2.gz VSGMVHSCSUMCKP-RYUDHWBXSA-N 0 1 381.444 0.799 20 0 GCADMN CC(=O)N1CCN([C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]2C)CC1 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C[C@@H]1CN(CCCNC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C[C@@H](C)O1 ZINC000275357621 1184625757 /nfs/dbraw/zinc/62/57/57/1184625757.db2.gz VTFWCPHOMNHAHP-UTJXIGIESA-N 0 1 376.457 0.573 20 0 GCADMN COC(=O)[C@H]1CCS(=O)(=O)C12CN(c1cc(Cl)nc3c1CCNC3)C2 ZINC001167197785 1184628336 /nfs/dbraw/zinc/62/83/36/1184628336.db2.gz KZMNHORMIWSVQC-LLVKDONJSA-N 0 1 385.873 0.547 20 0 GCADMN Cc1nn(C)c2ncc(NC(=O)C(=O)NC[C@@H]3CN(CC(C)C)CCO3)cc12 ZINC000070791945 1184636388 /nfs/dbraw/zinc/63/63/88/1184636388.db2.gz SEGWATFTVLGSEK-OAHLLOKOSA-N 0 1 388.472 0.688 20 0 GCADMN CC(C)CN1CCO[C@H](CNC(=O)C(=O)Nc2ccc(-n3cccn3)nc2)C1 ZINC000070791951 1184636463 /nfs/dbraw/zinc/63/64/63/1184636463.db2.gz BVZQDTTZWKFRMG-MRXNPFEDSA-N 0 1 386.456 0.679 20 0 GCADMN NC(=O)CCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 ZINC000275387325 1184648220 /nfs/dbraw/zinc/64/82/20/1184648220.db2.gz FVUGQNQBBVAIIR-UHFFFAOYSA-N 0 1 389.456 0.431 20 0 GCADMN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000275388120 1184648245 /nfs/dbraw/zinc/64/82/45/1184648245.db2.gz ZUVSKSRXHCEZHA-ALKREAHSSA-N 0 1 391.516 0.974 20 0 GCADMN COCCO[C@@H]1CCN(C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000275394346 1184650550 /nfs/dbraw/zinc/65/05/50/1184650550.db2.gz ARNILJBACMJUCE-QGZVFWFLSA-N 0 1 377.489 0.780 20 0 GCADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cnn(CC(=O)NC2CCCC2)c1 ZINC000275405034 1184655959 /nfs/dbraw/zinc/65/59/59/1184655959.db2.gz FYXPKTOMXVHHFI-HNNXBMFYSA-N 0 1 391.516 0.859 20 0 GCADMN Cc1cc(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000275411946 1184657220 /nfs/dbraw/zinc/65/72/20/1184657220.db2.gz GZEHKTQWNCTIJF-LLVKDONJSA-N 0 1 375.429 0.662 20 0 GCADMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 ZINC000275411247 1184658002 /nfs/dbraw/zinc/65/80/02/1184658002.db2.gz YULQCWOMQDZQDU-GFCCVEGCSA-N 0 1 378.404 0.486 20 0 GCADMN COC(=O)c1ccc(OC[C@@H](O)CN2CCN(C[C@@H](C)O)CC2)c(OC)c1 ZINC000275426380 1184663229 /nfs/dbraw/zinc/66/32/29/1184663229.db2.gz GXQGQYRVJMVYBI-ZBFHGGJFSA-N 0 1 382.457 0.220 20 0 GCADMN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)c1C ZINC000275426462 1184663281 /nfs/dbraw/zinc/66/32/81/1184663281.db2.gz JNIDTHJAZDUZNS-ZDUSSCGKSA-N 0 1 383.514 0.868 20 0 GCADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1 ZINC000275426592 1184664763 /nfs/dbraw/zinc/66/47/63/1184664763.db2.gz JRFNAVYTAYAKKL-OAHLLOKOSA-N 0 1 383.514 0.611 20 0 GCADMN NC(=O)[C@@]1(NCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CCOC1 ZINC000653841880 1184670192 /nfs/dbraw/zinc/67/01/92/1184670192.db2.gz OWJAXZHEQJQYLQ-VQIMIIECSA-N 0 1 394.903 0.827 20 0 GCADMN C[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)CCN1CC(C)(C)O ZINC000275445152 1184670819 /nfs/dbraw/zinc/67/08/19/1184670819.db2.gz CFLBPNQOMHSUPN-KYJSFNMBSA-N 0 1 391.516 0.633 20 0 GCADMN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc(S(=O)(=O)N(C)C)cn1C ZINC000275477394 1184682222 /nfs/dbraw/zinc/68/22/22/1184682222.db2.gz STEOBZSRKBMWNQ-CYBMUJFWSA-N 0 1 386.518 0.193 20 0 GCADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000275475071 1184683462 /nfs/dbraw/zinc/68/34/62/1184683462.db2.gz SFSAXDXGEHICNG-AWEZNQCLSA-N 0 1 395.525 0.926 20 0 GCADMN CN1CCN(c2cc(CNC(=O)N3CCC[C@@H](OCCO)C3)ccn2)CC1 ZINC000275482541 1184684632 /nfs/dbraw/zinc/68/46/32/1184684632.db2.gz NHMYRERIXHOPLI-QGZVFWFLSA-N 0 1 377.489 0.516 20 0 GCADMN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000275491466 1184688975 /nfs/dbraw/zinc/68/89/75/1184688975.db2.gz LGIOTBRBRIMIKI-ZFWWWQNUSA-N 0 1 378.477 0.012 20 0 GCADMN C[C@H]1CN(CC(C)(C)O)CCN1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000275509176 1184693002 /nfs/dbraw/zinc/69/30/02/1184693002.db2.gz WXHYUUTUJXJXPC-ZDUSSCGKSA-N 0 1 388.468 0.628 20 0 GCADMN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000275535489 1184701064 /nfs/dbraw/zinc/70/10/64/1184701064.db2.gz KWJXZKGCTSMUMG-KGLIPLIRSA-N 0 1 398.529 0.438 20 0 GCADMN C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000275535486 1184701703 /nfs/dbraw/zinc/70/17/03/1184701703.db2.gz KWJXZKGCTSMUMG-KBPBESRZSA-N 0 1 398.529 0.438 20 0 GCADMN C[C@H]1CN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CCN1CC(C)(C)O ZINC000275536405 1184702369 /nfs/dbraw/zinc/70/23/69/1184702369.db2.gz GEHOSYLKKBTJRE-RNODOKPDSA-N 0 1 388.468 0.658 20 0 GCADMN CCOC(=O)c1cnn(C)c1NC(=O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000275541239 1184703353 /nfs/dbraw/zinc/70/33/53/1184703353.db2.gz LRMCLKRVVAFHEG-CYBMUJFWSA-N 0 1 381.477 0.312 20 0 GCADMN COC(=O)c1cc(NC(=O)CN(C)CC2(O)CCOCC2)cc(C(=O)OC)c1 ZINC000275568593 1184720946 /nfs/dbraw/zinc/72/09/46/1184720946.db2.gz OOBYKVKCNUXZTO-UHFFFAOYSA-N 0 1 394.424 0.672 20 0 GCADMN CCN1CCN(CC(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)CC1 ZINC000890863540 1184731359 /nfs/dbraw/zinc/73/13/59/1184731359.db2.gz IERFYPGDWHGWTA-UHFFFAOYSA-N 0 1 380.514 0.844 20 0 GCADMN O=C(NCc1cccc(NS(=O)(=O)C2CC2)c1)C1CN([C@@H]2CCOC2)C1 ZINC000890861177 1184733363 /nfs/dbraw/zinc/73/33/63/1184733363.db2.gz GJOGJDZGQBJICJ-MRXNPFEDSA-N 0 1 379.482 0.928 20 0 GCADMN Cn1ncc2c1ncnc2N1CCN(C(=O)[C@H]2NCCc3ccccc32)CC1 ZINC000237816477 1184734174 /nfs/dbraw/zinc/73/41/74/1184734174.db2.gz AWBZTPBUCWRMAK-KRWDZBQOSA-N 0 1 377.452 0.899 20 0 GCADMN Cc1cc(NC(=O)CN2CCN(C(=O)[C@@H]3NCCc4ccccc43)CC2)no1 ZINC000237814924 1184734344 /nfs/dbraw/zinc/73/43/44/1184734344.db2.gz KBTBHHGRUWOCIN-LJQANCHMSA-N 0 1 383.452 0.953 20 0 GCADMN Cc1cc(C)n(CCN2CC([C@H](C)NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)n1 ZINC000970205457 1184752375 /nfs/dbraw/zinc/75/23/75/1184752375.db2.gz TYOZQPKXBPQXPG-DSLXNQLJSA-N 0 1 376.501 0.988 20 0 GCADMN CS(=O)(=O)[N-]c1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000625281526 1184754302 /nfs/dbraw/zinc/75/43/02/1184754302.db2.gz CZNVXISFPNGTGO-UHFFFAOYSA-N 0 1 382.486 0.828 20 0 GCADMN CN(C[C@H]1COCCO1)C(=O)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000668371107 1184758533 /nfs/dbraw/zinc/75/85/33/1184758533.db2.gz JOYOWLQXZADEGC-LSDHHAIUSA-N 0 1 381.498 0.875 20 0 GCADMN O=c1nc2[nH]cc(S(=O)(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc-2c(=O)[n-]1 ZINC000655669557 1184772233 /nfs/dbraw/zinc/77/22/33/1184772233.db2.gz PMDMRKWLSGCHMW-CHWSQXEVSA-N 0 1 379.442 0.731 20 0 GCADMN CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)CC1(O)CCOCC1 ZINC000275590803 1184774111 /nfs/dbraw/zinc/77/41/11/1184774111.db2.gz QQNGGTQXBVNDQW-UHFFFAOYSA-N 0 1 393.440 0.969 20 0 GCADMN O=C(CN1CCOC[C@@]12CCOC2)NCC1(N2CCOCC2)CCCCC1 ZINC000375610817 1184778483 /nfs/dbraw/zinc/77/84/83/1184778483.db2.gz DLOMKUOPYCWRBM-FQEVSTJZSA-N 0 1 381.517 0.629 20 0 GCADMN CCCN(C(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O)[C@H]1CCN(C)C1 ZINC000647019549 1184786111 /nfs/dbraw/zinc/78/61/11/1184786111.db2.gz MXRDRMVBGHVWIK-ROUUACIJSA-N 0 1 386.496 0.846 20 0 GCADMN O=C([C@H]1NCCc2ccccc21)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000238017492 1184789518 /nfs/dbraw/zinc/78/95/18/1184789518.db2.gz RRFDFEBYQJNTPP-SFHVURJKSA-N 0 1 386.477 0.802 20 0 GCADMN C[C@H]1CN(c2ccnc(C(=O)N3CCN(C(=O)CN(C)C)CC3)c2)C[C@H](C)O1 ZINC000683579250 1184790947 /nfs/dbraw/zinc/79/09/47/1184790947.db2.gz VCXAEUWIQJDYQB-HOTGVXAUSA-N 0 1 389.500 0.541 20 0 GCADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cnc2n(c1=O)CCS2 ZINC000032759165 1184794420 /nfs/dbraw/zinc/79/44/20/1184794420.db2.gz JQXINQBKYUXZFP-UHFFFAOYSA-N 0 1 399.520 0.897 20 0 GCADMN Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)[C@@H](O)C1 ZINC000970417811 1184797402 /nfs/dbraw/zinc/79/74/02/1184797402.db2.gz PMIZQXXBXOHARB-MHWZDGSBSA-N 0 1 391.378 0.497 20 0 GCADMN C[C@@H]1CN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)CCN1c1cc[nH+]cc1 ZINC000890989122 1184806184 /nfs/dbraw/zinc/80/61/84/1184806184.db2.gz IQCLUZZOQHTKMU-CYBMUJFWSA-N 0 1 379.424 0.413 20 0 GCADMN CSCC[C@@H](NC(=O)c1ccccc1)C(=O)NCC(=O)N1CCNCC1 ZINC000579950139 1184816207 /nfs/dbraw/zinc/81/62/07/1184816207.db2.gz WMRUCGQTCAVRHF-OAHLLOKOSA-N 0 1 378.498 0.086 20 0 GCADMN C[C@@H](C(=O)N1CCCC1)N1CCN(C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088616272 1184819005 /nfs/dbraw/zinc/81/90/05/1184819005.db2.gz MKTZPDHKPIQLTJ-ZSYWTGECSA-N 0 1 382.549 0.085 20 0 GCADMN CN(C)c1cccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C[C@@H]2O)c1 ZINC000970492161 1184825492 /nfs/dbraw/zinc/82/54/92/1184825492.db2.gz IXNUULPDPCNMTH-AHCXZYCDSA-N 0 1 383.452 0.581 20 0 GCADMN O=C(NCCN1CCCOCC1)NCc1cnc(N2CCOCC2)c(F)c1 ZINC000275619670 1184827131 /nfs/dbraw/zinc/82/71/31/1184827131.db2.gz LBVCNZRLBHOYRI-UHFFFAOYSA-N 0 1 381.452 0.579 20 0 GCADMN COCCO[C@@H]1CCN([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000275627740 1184835575 /nfs/dbraw/zinc/83/55/75/1184835575.db2.gz VAKGSLXNOQKSGQ-IIAWOOMASA-N 0 1 399.513 0.637 20 0 GCADMN O=C(N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C[C@@H]1O)c1ccc(F)cc1F ZINC000970510738 1184838465 /nfs/dbraw/zinc/83/84/65/1184838465.db2.gz MACFMFCPZSHOPF-BHTHQVBYSA-N 0 1 376.363 0.793 20 0 GCADMN CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)Cn2c3ccccc3n(CC)c2=O)n[nH]1 ZINC001648841059 1184839937 /nfs/dbraw/zinc/83/99/37/1184839937.db2.gz VBUPOWXOCKGSBS-DOMZBBRYSA-N 0 1 384.440 0.838 20 0 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/nfs/dbraw/zinc/73/57/35/1195735735.db2.gz XFPYNQUIPYIZJR-UONOGXRCSA-N 0 1 384.502 0.655 20 0 GCADMN CCc1ccc([C@H](CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)N(C)C)cc1 ZINC000550407361 1195737220 /nfs/dbraw/zinc/73/72/20/1195737220.db2.gz GLEAMWTUOBITOR-FGTMMUONSA-N 0 1 386.496 0.705 20 0 GCADMN COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CS[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000536337304 1195738288 /nfs/dbraw/zinc/73/82/88/1195738288.db2.gz WDSWHJIYGZFJIA-JQWIXIFHSA-N 0 1 395.441 0.667 20 0 GCADMN CO[C@@H]1COCC[C@@H]1CNC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000458971315 1195739403 /nfs/dbraw/zinc/73/94/03/1195739403.db2.gz KOKBTXGIEOOPDV-NCXUSEDFSA-N 0 1 377.485 0.973 20 0 GCADMN C[C@@H](CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)CN1CCN(C)CC1 ZINC000071972566 1195740632 /nfs/dbraw/zinc/74/06/32/1195740632.db2.gz RIGOIIOAABHAJK-ZDUSSCGKSA-N 0 1 382.486 0.293 20 0 GCADMN CNC(=O)c1cccc(CNC(=O)C(=O)Nc2ccc3[nH]nc(C(N)=O)c3c2)c1 ZINC000536343157 1195741239 /nfs/dbraw/zinc/74/12/39/1195741239.db2.gz 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C[C@H](O)CN1CCN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)[C@@H](C)C1 ZINC000253205380 1195753507 /nfs/dbraw/zinc/75/35/07/1195753507.db2.gz TVCZPHQBBSFLQX-STQMWFEESA-N 0 1 378.864 0.907 20 0 GCADMN CN1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)CC[N@@H+](C)CC1 ZINC000895068915 1195756516 /nfs/dbraw/zinc/75/65/16/1195756516.db2.gz CGDTVDWVCGNQKI-UHFFFAOYSA-N 0 1 379.896 0.814 20 0 GCADMN CN1CCN(C)CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)CC1 ZINC000895068915 1195756519 /nfs/dbraw/zinc/75/65/19/1195756519.db2.gz CGDTVDWVCGNQKI-UHFFFAOYSA-N 0 1 379.896 0.814 20 0 GCADMN CC(C)(C)[C@@H](NC(N)=O)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cc1cnc[nH]1)C2 ZINC001719869796 1195761175 /nfs/dbraw/zinc/76/11/75/1195761175.db2.gz OILJGIBWWIGTQE-OSFYFWSMSA-N 0 1 376.461 0.283 20 0 GCADMN O=C(Cc1cnc[nH]1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCOC[C@H]1CCCO1 ZINC001719869980 1195761187 /nfs/dbraw/zinc/76/11/87/1195761187.db2.gz SEXXTIRUDILAMH-NCOADZHNSA-N 0 1 376.457 0.786 20 0 GCADMN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N1CCN(C(C)C)CC1 ZINC000441491051 1195762893 /nfs/dbraw/zinc/76/28/93/1195762893.db2.gz MOXVEUSOFVTZQK-UHFFFAOYSA-N 0 1 383.460 0.417 20 0 GCADMN CN(CCC(=O)OC(C)(C)C)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000441491083 1195763043 /nfs/dbraw/zinc/76/30/43/1195763043.db2.gz RPCPZPDFAPPWKD-UHFFFAOYSA-N 0 1 389.412 0.791 20 0 GCADMN CCCCS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000536436043 1195771737 /nfs/dbraw/zinc/77/17/37/1195771737.db2.gz JJBVDXHFGOFEDX-QZTJIDSGSA-N 0 1 397.541 0.705 20 0 GCADMN CCS(=O)(=O)N1CC(CNC(=O)c2cccc(CN3CCN(C)CC3)c2)C1 ZINC000191064127 1195774688 /nfs/dbraw/zinc/77/46/88/1195774688.db2.gz JYXGBDHLMUNPOE-UHFFFAOYSA-N 0 1 394.541 0.445 20 0 GCADMN C[C@@H]1CN(C(=O)NCCOCCS(N)(=O)=O)[C@@H](C)CN1Cc1ccccc1 ZINC000665103994 1195777671 /nfs/dbraw/zinc/77/76/71/1195777671.db2.gz MYIDOKXCZKCGRY-CVEARBPZSA-N 0 1 398.529 0.596 20 0 GCADMN O=C(CCc1[nH]c(O)nc1O)NCCc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000614578142 1195777712 /nfs/dbraw/zinc/77/77/12/1195777712.db2.gz URQFCOKGKBBPBZ-LLVKDONJSA-N 0 1 376.804 0.772 20 0 GCADMN C[C@H]1CN(C(=O)NCCOCCS(N)(=O)=O)[C@@H](C)CN1Cc1ccccc1 ZINC000665104054 1195779201 /nfs/dbraw/zinc/77/92/01/1195779201.db2.gz MYIDOKXCZKCGRY-HOTGVXAUSA-N 0 1 398.529 0.596 20 0 GCADMN CCc1cc(C(=O)N2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc(=O)[nH]1 ZINC000181686449 1195779440 /nfs/dbraw/zinc/77/94/40/1195779440.db2.gz KKUNGURURPOHPY-SFHVURJKSA-N 0 1 376.501 0.804 20 0 GCADMN CCc1cc(C(=O)N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)cc(=O)[nH]1 ZINC000181686449 1195779442 /nfs/dbraw/zinc/77/94/42/1195779442.db2.gz KKUNGURURPOHPY-SFHVURJKSA-N 0 1 376.501 0.804 20 0 GCADMN CS(=O)(=O)[N-]c1ccccc1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000520532334 1195781294 /nfs/dbraw/zinc/78/12/94/1195781294.db2.gz OEJJZBIYBKDUBR-CYBMUJFWSA-N 0 1 382.486 0.375 20 0 GCADMN NC(=O)c1csc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)c1 ZINC000520535617 1195782110 /nfs/dbraw/zinc/78/21/10/1195782110.db2.gz OZDAAHZQPPWCLV-UHFFFAOYSA-N 0 1 388.497 0.969 20 0 GCADMN CC(=O)N1CCN(CC2(CN3CCN(C(C)=O)CC3(C)C)COC2)C(C)(C)C1 ZINC000182457406 1195786470 /nfs/dbraw/zinc/78/64/70/1195786470.db2.gz MXYTWKPTTUVBKX-UHFFFAOYSA-N 0 1 394.560 0.888 20 0 GCADMN CN(CCN1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccn(C)n1 ZINC000520574255 1195791033 /nfs/dbraw/zinc/79/10/33/1195791033.db2.gz VIVOGOYDXPRROK-UHFFFAOYSA-N 0 1 377.514 0.858 20 0 GCADMN NS(=O)(=O)c1ccc(O)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 ZINC000665120946 1195792138 /nfs/dbraw/zinc/79/21/38/1195792138.db2.gz JCSKLPSBAXVDKD-UHFFFAOYSA-N 0 1 379.394 0.231 20 0 GCADMN CC(=O)NCCc1ccc(S(=O)(=O)NCCCCN2CCN(C)CC2)cc1 ZINC000614601444 1195792993 /nfs/dbraw/zinc/79/29/93/1195792993.db2.gz DFGJBOMCJKZDTG-UHFFFAOYSA-N 0 1 396.557 0.671 20 0 GCADMN Cn1nccc1COCC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C)C2 ZINC001719883142 1195794108 /nfs/dbraw/zinc/79/41/08/1195794108.db2.gz RZRDYDRGNGHRMR-SIXLDLHFSA-N 0 1 375.473 0.279 20 0 GCADMN Cn1c(CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)n[nH]c1=O ZINC001687395610 1195795840 /nfs/dbraw/zinc/79/58/40/1195795840.db2.gz BCOWXZCWFBNTAW-UHFFFAOYSA-N 0 1 379.465 0.827 20 0 GCADMN CC(C)[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CCS1 ZINC000441618184 1195797965 /nfs/dbraw/zinc/79/79/65/1195797965.db2.gz FWHFGTVWXXZHTB-KRWDZBQOSA-N 0 1 398.573 0.063 20 0 GCADMN Cn1c(CNC(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)n[nH]c1=O ZINC001687395848 1195798820 /nfs/dbraw/zinc/79/88/20/1195798820.db2.gz JNSSKMBTADYBHI-SNVBAGLBSA-N 0 1 383.792 0.478 20 0 GCADMN COc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOC3)cc2)ccn1 ZINC000520610345 1195799462 /nfs/dbraw/zinc/79/94/62/1195799462.db2.gz VKYCIOCPQJMWLI-UHFFFAOYSA-N 0 1 399.450 0.869 20 0 GCADMN O=C(CCc1nc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1Cc2ccccc2O1 ZINC001719885962 1195803319 /nfs/dbraw/zinc/80/33/19/1195803319.db2.gz NBGGHQSYPNWGGT-AIANPOQGSA-N 0 1 381.436 0.989 20 0 GCADMN C[C@H]1OCC[C@@]12CN(C(=O)NCc1cccnc1N1CCN(C)CC1)CCO2 ZINC000280831472 1195810144 /nfs/dbraw/zinc/81/01/44/1195810144.db2.gz ODSNXJCMWCKLPV-OXQOHEQNSA-N 0 1 389.500 0.923 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC(CNC(=O)C(=O)NCCc2ccco2)CC1 ZINC000550428643 1195817072 /nfs/dbraw/zinc/81/70/72/1195817072.db2.gz GZDOKXXYEQXWIH-UHFFFAOYSA-N 0 1 392.500 0.681 20 0 GCADMN CC1(C)CN(C2(CNC(=O)C(=O)NCCn3ccnc3)CCCCC2)CCO1 ZINC000550428814 1195817208 /nfs/dbraw/zinc/81/72/08/1195817208.db2.gz KBWNFSSJKLXUHL-UHFFFAOYSA-N 0 1 391.516 0.929 20 0 GCADMN C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000983970076 1195817962 /nfs/dbraw/zinc/81/79/62/1195817962.db2.gz QOZKDDXUKOPVRH-XSEXMBABSA-N 0 1 377.445 0.213 20 0 GCADMN COC(=O)CCNC(=O)CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000067446008 1195824348 /nfs/dbraw/zinc/82/43/48/1195824348.db2.gz BZPKUFWBPJCMFM-UHFFFAOYSA-N 0 1 391.424 0.745 20 0 GCADMN COC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 ZINC000441724219 1195826173 /nfs/dbraw/zinc/82/61/73/1195826173.db2.gz DMIQSRQITCFNAS-MRXNPFEDSA-N 0 1 392.500 0.745 20 0 GCADMN C[C@@H](CN1CCN(C)CC1)NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000520702896 1195826920 /nfs/dbraw/zinc/82/69/20/1195826920.db2.gz ONKCRRUWRCNOFK-HNNXBMFYSA-N 0 1 394.520 0.176 20 0 GCADMN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(C(C)C)CC2)c1 ZINC000105892096 1195827495 /nfs/dbraw/zinc/82/74/95/1195827495.db2.gz PRMKPBGYSMEVOV-UHFFFAOYSA-N 0 1 398.529 0.431 20 0 GCADMN CCn1cc(CN(CCO)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)cn1 ZINC000474010855 1195839361 /nfs/dbraw/zinc/83/93/61/1195839361.db2.gz YRLCUNRHHKJPSB-GOSISDBHSA-N 0 1 380.537 0.679 20 0 GCADMN CCN1CCN([C@H](C)CNS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000195464387 1195839930 /nfs/dbraw/zinc/83/99/30/1195839930.db2.gz HMEVCJYFBAQFGB-OAHLLOKOSA-N 0 1 382.530 0.693 20 0 GCADMN C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000053688694 1195841945 /nfs/dbraw/zinc/84/19/45/1195841945.db2.gz HEJQLEVDLUHELV-BETUJISGSA-N 0 1 386.518 0.119 20 0 GCADMN C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000053688694 1195841949 /nfs/dbraw/zinc/84/19/49/1195841949.db2.gz HEJQLEVDLUHELV-BETUJISGSA-N 0 1 386.518 0.119 20 0 GCADMN 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1.126 20 0 GCADMN C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)C1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001006072269 1200989944 /nfs/dbraw/zinc/98/99/44/1200989944.db2.gz ZBCFPHODMFWCAJ-XJBBVDETSA-N 0 1 381.436 0.958 20 0 GCADMN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000429407016 1200990382 /nfs/dbraw/zinc/99/03/82/1200990382.db2.gz QBJKKQBCMVHIEB-OKILXGFUSA-N 0 1 397.497 0.539 20 0 GCADMN COC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C(N)=O)c2)cn1C ZINC000509392793 1200996459 /nfs/dbraw/zinc/99/64/59/1200996459.db2.gz SVACAAVZYUSBLU-UHFFFAOYSA-N 0 1 380.382 0.036 20 0 GCADMN CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ncc(F)cn3)CC2)C1 ZINC000546826253 1201022804 /nfs/dbraw/zinc/02/28/04/1201022804.db2.gz ZDQHEVNFUHGPNI-INIZCTEOSA-N 0 1 380.468 0.804 20 0 GCADMN O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CCC(=O)NC1)c1n[nH]c2ccccc21 ZINC001006114137 1201048265 /nfs/dbraw/zinc/04/82/65/1201048265.db2.gz DCRNPIKKCRSRRI-OJDYBEQGSA-N 0 1 381.436 0.951 20 0 GCADMN O=C(C[C@@H]1CCNC1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1n[nH]c3ccccc31)C2 ZINC001006116443 1201049535 /nfs/dbraw/zinc/04/95/35/1201049535.db2.gz YGGWAEZOUJYWQX-OJDYBEQGSA-N 0 1 381.436 0.951 20 0 GCADMN CN1C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2n[nH]c4ccccc42)C3)NC1=O ZINC001006120311 1201054816 /nfs/dbraw/zinc/05/48/16/1201054816.db2.gz ZAISJPWRDXYKNX-QZKOUSHUSA-N 0 1 382.424 0.448 20 0 GCADMN C[C@@H](NC(=O)C(=O)Nc1ccn(-c2ccncc2)n1)[C@H](O)Cc1ccccc1 ZINC000438259786 1201059350 /nfs/dbraw/zinc/05/93/50/1201059350.db2.gz NJOGUWZJKSBAOO-RHSMWYFYSA-N 0 1 379.420 1.314 20 0 GCADMN CO[C@@H]1CN(C(=O)C2=NC(=O)N(C)C2)C[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000946914760 1201082790 /nfs/dbraw/zinc/08/27/90/1201082790.db2.gz BBWQQRDZWSTCAW-DSJMHWKBSA-N 0 1 385.424 0.280 20 0 GCADMN CCNC(=O)COc1ccc(CNS(=O)(=O)c2c(N)noc2C)cc1OC ZINC000574797307 1201089878 /nfs/dbraw/zinc/08/98/78/1201089878.db2.gz OCPZAOMPABOVDI-UHFFFAOYSA-N 0 1 398.441 0.567 20 0 GCADMN COCCNCC(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1 ZINC000430832119 1201093831 /nfs/dbraw/zinc/09/38/31/1201093831.db2.gz FSRCULGRXOHGIP-UHFFFAOYSA-N 0 1 375.433 0.273 20 0 GCADMN CCOC(=O)Cc1cccc(S(=O)(=O)NCCCN2CCC(O)CC2)c1 ZINC000509429666 1201101435 /nfs/dbraw/zinc/10/14/35/1201101435.db2.gz ISAVTRKRIYVCPG-UHFFFAOYSA-N 0 1 384.498 0.917 20 0 GCADMN CC[C@H](C)c1nc([C@@H](C)NC(=O)c2nc(N)nc(N3CCOCC3)n2)n[nH]1 ZINC000565085031 1201115553 /nfs/dbraw/zinc/11/55/53/1201115553.db2.gz YWXFXDNLGAJOKT-VHSXEESVSA-N 0 1 375.437 0.413 20 0 GCADMN COCc1ncc(CNC(=O)c2cccc(CN3CCN(C)CC3)c2)c(N)n1 ZINC000579529180 1201121245 /nfs/dbraw/zinc/12/12/45/1201121245.db2.gz VVWXULAZDCTAKF-UHFFFAOYSA-N 0 1 384.484 0.883 20 0 GCADMN Cc1onc(N)c1S(=O)(=O)[N-]c1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000584056152 1201151913 /nfs/dbraw/zinc/15/19/13/1201151913.db2.gz GPGRISGLZMVYBR-UHFFFAOYSA-N 0 1 393.469 0.683 20 0 GCADMN Nc1nc(-n2cccn2)cc(N2CCC(S(=O)(=O)N3CCCC3)CC2)n1 ZINC000374453239 1201160657 /nfs/dbraw/zinc/16/06/57/1201160657.db2.gz PUVFQCSZZKRVMP-UHFFFAOYSA-N 0 1 377.474 0.639 20 0 GCADMN Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC(N2CCOC[C@@H]2C)CC1 ZINC000622060106 1201161198 /nfs/dbraw/zinc/16/11/98/1201161198.db2.gz RONHQSDGXJEGHY-LBPRGKRZSA-N 0 1 387.488 0.578 20 0 GCADMN Nc1nc(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)nc(N2CCOCC2)n1 ZINC000651308678 1201179030 /nfs/dbraw/zinc/17/90/30/1201179030.db2.gz YHZVSYVUXKXKEE-UHFFFAOYSA-N 0 1 388.819 0.750 20 0 GCADMN CC[N@H+](CCNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CC1 ZINC000804223914 1201182005 /nfs/dbraw/zinc/18/20/05/1201182005.db2.gz JPEJCOOUQPHRJT-UHFFFAOYSA-N 0 1 392.422 0.504 20 0 GCADMN CC[N@@H+](CCNC(=O)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1)C1CC1 ZINC000804223914 1201182010 /nfs/dbraw/zinc/18/20/10/1201182010.db2.gz JPEJCOOUQPHRJT-UHFFFAOYSA-N 0 1 392.422 0.504 20 0 GCADMN C[C@H](CN1CCOCC1)C(=O)NCC1(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CCC1 ZINC001063110690 1201185437 /nfs/dbraw/zinc/18/54/37/1201185437.db2.gz FPLWYLJTCARBHD-VQHPVUNQSA-N 0 1 379.501 0.677 20 0 GCADMN C[C@@H](CN1CCOCC1)C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCC1 ZINC001063111406 1201185851 /nfs/dbraw/zinc/18/58/51/1201185851.db2.gz OGJIUCTVZLFUCQ-RFSXOUPVSA-N 0 1 391.512 0.533 20 0 GCADMN O=C(NCC1(NC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CCC1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001063489193 1201195424 /nfs/dbraw/zinc/19/54/24/1201195424.db2.gz BBGZXDUGSSWIKI-DEQQHWRFSA-N 0 1 388.468 0.720 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC2)C1 ZINC001064547640 1201210316 /nfs/dbraw/zinc/21/03/16/1201210316.db2.gz HJACBLCFEGPJAM-NBOOPKSLSA-N 0 1 379.501 0.535 20 0 GCADMN C[C@H]1CCN(CC(=O)NCC2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC2)C1 ZINC001064547640 1201210322 /nfs/dbraw/zinc/21/03/22/1201210322.db2.gz HJACBLCFEGPJAM-NBOOPKSLSA-N 0 1 379.501 0.535 20 0 GCADMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N[C@@H](CO)c3cnn(C)c3)cc2)[nH]1 ZINC000611504487 1201242092 /nfs/dbraw/zinc/24/20/92/1201242092.db2.gz OQFJQIUWIFRXDR-INIZCTEOSA-N 0 1 399.407 0.078 20 0 GCADMN C[C@H]1CC(=O)N[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2CN(CCCO)C[C@H]2O)C1 ZINC001079135755 1201247321 /nfs/dbraw/zinc/24/73/21/1201247321.db2.gz LAEZUMBAQKFWQW-NXWXRZEISA-N 0 1 389.496 0.357 20 0 GCADMN COCC(=O)N1CCN(CCCCCNC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001079163087 1201248319 /nfs/dbraw/zinc/24/83/19/1201248319.db2.gz QEEWWUUCCBXDCI-JENIJYKNSA-N 0 1 381.517 0.879 20 0 GCADMN CN(C)C(=O)CN1CCC2(CN(C(=O)[C@]34C[C@H]3COC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079245069 1201249748 /nfs/dbraw/zinc/24/97/48/1201249748.db2.gz VNFRMKORUQUUDB-MFCZKXCZSA-N 0 1 377.485 0.051 20 0 GCADMN Cn1ccnc1CN[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1c1cccc(F)c1 ZINC001079198831 1201249902 /nfs/dbraw/zinc/24/99/02/1201249902.db2.gz UUJHMEWQUXUSGS-LTIDMASMSA-N 0 1 385.443 0.765 20 0 GCADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](NCC(=O)N2CCC2)C1 ZINC001079198803 1201249928 /nfs/dbraw/zinc/24/99/28/1201249928.db2.gz SBGYLFXFPQQRCP-LTIDMASMSA-N 0 1 388.443 0.063 20 0 GCADMN Cc1nocc1CN1CCC2(CN(C(=O)[C@H]3C[C@H]3C(N)=O)[C@@H]3COC[C@@H]32)CC1 ZINC001079260585 1201250515 /nfs/dbraw/zinc/25/05/15/1201250515.db2.gz CWMAIHRKIGRGGT-LTIDMASMSA-N 0 1 388.468 0.544 20 0 GCADMN C[C@@H]1CCO[C@@H]1C(=O)N1CC2(CCN(CC(=O)N(C)C)CC2)[C@H]2COC[C@H]21 ZINC001079261866 1201250767 /nfs/dbraw/zinc/25/07/67/1201250767.db2.gz MAXRMWIOHLDDEI-HPFXQQBRSA-N 0 1 379.501 0.439 20 0 GCADMN Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C[C@H]2c2ccccc2F)n[nH]1 ZINC001079312286 1201251567 /nfs/dbraw/zinc/25/15/67/1201251567.db2.gz OFDGLZYFLTZJDW-ORIJERBGSA-N 0 1 386.431 0.458 20 0 GCADMN NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)C[C@H]1c1ccccc1F ZINC001079312526 1201251593 /nfs/dbraw/zinc/25/15/93/1201251593.db2.gz XMLGVTKDZNOKIQ-TWJWRFFLSA-N 0 1 376.432 0.097 20 0 GCADMN NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C[C@H]1c1ccccc1F ZINC001079304185 1201251648 /nfs/dbraw/zinc/25/16/48/1201251648.db2.gz XFBFIZCVDIEYPB-PKKRGFRTSA-N 0 1 391.443 0.247 20 0 GCADMN Cc1cc(NC(=O)CN2C[C@@H](C)[C@H](NC(=O)[C@@H]3C[C@H]3c3cnc[nH]3)C2)n(C)n1 ZINC001079890997 1201260389 /nfs/dbraw/zinc/26/03/89/1201260389.db2.gz RCIAWLXQQVVMOX-XKVFNRALSA-N 0 1 385.472 0.630 20 0 GCADMN C[C@@H]1C[N@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080159670 1201265223 /nfs/dbraw/zinc/26/52/23/1201265223.db2.gz PBVSHOLPIQPZPC-FWALRHFXSA-N 0 1 383.452 0.383 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2cc(=O)n3[n-]ccc3n2)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001080159670 1201265224 /nfs/dbraw/zinc/26/52/24/1201265224.db2.gz PBVSHOLPIQPZPC-FWALRHFXSA-N 0 1 383.452 0.383 20 0 GCADMN CC[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(CCN2C(=O)NC(C)(C)C2=O)C[C@H]1C ZINC001080171504 1201268135 /nfs/dbraw/zinc/26/81/35/1201268135.db2.gz LLBTVMYBFPDDPJ-TUVASFSCSA-N 0 1 380.489 0.568 20 0 GCADMN CNC(=O)c1ccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)cc1 ZINC001080436189 1201271491 /nfs/dbraw/zinc/27/14/91/1201271491.db2.gz MHIWOEWVYNPZIF-VDNDLQMASA-N 0 1 388.468 0.016 20 0 GCADMN CNC(=O)c1cccc(CN2C[C@@H](C)[C@H](NC(=O)[C@H]3C[C@H]3C(=O)N(C)C)C2)c1 ZINC001080457742 1201273916 /nfs/dbraw/zinc/27/39/16/1201273916.db2.gz LYRFOSRJKNEHNP-BVPBIZIASA-N 0 1 386.496 0.707 20 0 GCADMN CN1CCC[C@@H]1C(=O)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001080779241 1201279992 /nfs/dbraw/zinc/27/99/92/1201279992.db2.gz XENINAGJVHDUEB-MWDXBVQZSA-N 0 1 379.501 0.365 20 0 GCADMN Cn1cc(-c2[nH]ncc2C(=O)N2CCC(N3CCCS3(=O)=O)CC2)cn1 ZINC001299300530 1201281920 /nfs/dbraw/zinc/28/19/20/1201281920.db2.gz FLJFGZDJENONPU-UHFFFAOYSA-N 0 1 378.458 0.450 20 0 GCADMN CC[C@@H]1CCO[C@@H]1C(=O)NC1(CO)CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001080902791 1201284072 /nfs/dbraw/zinc/28/40/72/1201284072.db2.gz MMCUOEOUQKSQBE-ANQUJSFKSA-N 0 1 390.484 0.798 20 0 GCADMN O=C(Cc1cnc[nH]1)NC1(CO)CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 ZINC001081030574 1201292058 /nfs/dbraw/zinc/29/20/58/1201292058.db2.gz RGZAZXALIJEMTD-JLJPHGGASA-N 0 1 376.457 0.237 20 0 GCADMN 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GCADMN O=C(C[NH2+][C@@]1(C(=O)[O-])CCOC1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC001601325047 970976218 /nfs/dbraw/zinc/97/62/18/970976218.db2.gz KMRMQFWCEFYZHP-IBGZPJMESA-N 0 1 381.473 0.507 20 0 GCADMN Cc1nnc(CNC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)o1 ZINC001571259159 945378795 /nfs/dbraw/zinc/37/87/95/945378795.db2.gz CXIIVAXXAALBSZ-PWSUYJOCSA-N 0 1 385.432 0.774 20 0 GCADMN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571259338 945384049 /nfs/dbraw/zinc/38/40/49/945384049.db2.gz LJWCXVCQBXDQGA-QWHCGFSZSA-N 0 1 385.428 0.143 20 0 GCADMN Cc1noc(CNC[C@@H]2CCCC[C@H]2NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001571259430 945385379 /nfs/dbraw/zinc/38/53/79/945385379.db2.gz GLBSECQMLMMEFE-WCQYABFASA-N 0 1 385.432 0.965 20 0 GCADMN CN(C[C@@H]1CCCN1C(=O)Cc1cscn1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571261362 945424621 /nfs/dbraw/zinc/42/46/21/945424621.db2.gz DGPVAQRGZJMPJU-LBPRGKRZSA-N 0 1 385.457 0.783 20 0 GCADMN CN(C[C@H]1CCCN1C(=O)Cc1cscn1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571261361 945425136 /nfs/dbraw/zinc/42/51/36/945425136.db2.gz DGPVAQRGZJMPJU-GFCCVEGCSA-N 0 1 385.457 0.783 20 0 GCADMN Cc1nnsc1C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571263141 945451054 /nfs/dbraw/zinc/45/10/54/945451054.db2.gz IPOLSYUAIKCTKY-NSHDSACASA-N 0 1 385.457 0.808 20 0 GCADMN Cc1nc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)sc1C ZINC001571263288 945456123 /nfs/dbraw/zinc/45/61/23/945456123.db2.gz MBZIOPLRDKIZRQ-NSHDSACASA-N 0 1 385.457 0.869 20 0 GCADMN O=C(N[C@H]1C[C@H](NCc2cnns2)C12CCC2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571263544 945461758 /nfs/dbraw/zinc/46/17/58/945461758.db2.gz SPUCLFPTZQRWAJ-STQMWFEESA-N 0 1 385.457 0.877 20 0 GCADMN O=C(N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1nccs1 ZINC001571263651 945463799 /nfs/dbraw/zinc/46/37/99/945463799.db2.gz VTRUUAODOUHRJY-WDEREUQCSA-N 0 1 385.457 0.936 20 0 GCADMN C[C@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571263990 945472325 /nfs/dbraw/zinc/47/23/25/945472325.db2.gz DHNFNPRBPGZODO-UONOGXRCSA-N 0 1 385.472 0.885 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N(C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC001571264915 945494437 /nfs/dbraw/zinc/49/44/37/945494437.db2.gz AJRYNKDAQPARMR-CYBMUJFWSA-N 0 1 385.476 0.487 20 0 GCADMN O=C(C[NH+]1CCCC1)N1CCCCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571264927 945494619 /nfs/dbraw/zinc/49/46/19/945494619.db2.gz ASSROUBSGIHXQW-CQSZACIVSA-N 0 1 385.476 0.358 20 0 GCADMN C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571264933 945495067 /nfs/dbraw/zinc/49/50/67/945495067.db2.gz BAPPPRQABRQLHU-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001571264933 945495071 /nfs/dbraw/zinc/49/50/71/945495071.db2.gz BAPPPRQABRQLHU-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571265010 945496776 /nfs/dbraw/zinc/49/67/76/945496776.db2.gz AXXRGCSKVWTFLI-OLZOCXBDSA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001571265010 945496781 /nfs/dbraw/zinc/49/67/81/945496781.db2.gz AXXRGCSKVWTFLI-OLZOCXBDSA-N 0 1 385.476 0.256 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265069 945500025 /nfs/dbraw/zinc/50/00/25/945500025.db2.gz BNHGXICKIAUDKR-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265069 945500031 /nfs/dbraw/zinc/50/00/31/945500031.db2.gz BNHGXICKIAUDKR-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265069 945500035 /nfs/dbraw/zinc/50/00/35/945500035.db2.gz BNHGXICKIAUDKR-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265069 945500039 /nfs/dbraw/zinc/50/00/39/945500039.db2.gz BNHGXICKIAUDKR-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C)n1 ZINC001571265103 945500137 /nfs/dbraw/zinc/50/01/37/945500137.db2.gz CZMGKRQORKTZIL-JSGCOSHPSA-N 0 1 385.476 0.851 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C)n1 ZINC001571265103 945500143 /nfs/dbraw/zinc/50/01/43/945500143.db2.gz CZMGKRQORKTZIL-JSGCOSHPSA-N 0 1 385.476 0.851 20 0 GCADMN C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2c2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001571265146 945502122 /nfs/dbraw/zinc/50/21/22/945502122.db2.gz DXHPXSXISFJDHA-MELADBBJSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001571265146 945502126 /nfs/dbraw/zinc/50/21/26/945502126.db2.gz DXHPXSXISFJDHA-MELADBBJSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001571265146 945502130 /nfs/dbraw/zinc/50/21/30/945502130.db2.gz DXHPXSXISFJDHA-MELADBBJSA-N 0 1 385.476 0.472 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571265167 945502463 /nfs/dbraw/zinc/50/24/63/945502463.db2.gz FMOFAJOWVXRCJO-OAHLLOKOSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571265167 945502466 /nfs/dbraw/zinc/50/24/66/945502466.db2.gz FMOFAJOWVXRCJO-OAHLLOKOSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265239 945504329 /nfs/dbraw/zinc/50/43/29/945504329.db2.gz DEVCQNYXYGJBRH-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265239 945504340 /nfs/dbraw/zinc/50/43/40/945504340.db2.gz DEVCQNYXYGJBRH-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265239 945504354 /nfs/dbraw/zinc/50/43/54/945504354.db2.gz DEVCQNYXYGJBRH-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265239 945504365 /nfs/dbraw/zinc/50/43/65/945504365.db2.gz DEVCQNYXYGJBRH-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265264 945505009 /nfs/dbraw/zinc/50/50/09/945505009.db2.gz FABPFFCKIBPYDX-UKRRQHHQSA-N 0 1 385.476 0.616 20 0 GCADMN CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265264 945505014 /nfs/dbraw/zinc/50/50/14/945505014.db2.gz FABPFFCKIBPYDX-UKRRQHHQSA-N 0 1 385.476 0.616 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CC[N@@H+]1C ZINC001571265300 945506418 /nfs/dbraw/zinc/50/64/18/945506418.db2.gz GCKWEJYUXXCABB-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3cncc(-c4nnn[n-]4)n3)C2)CC[N@H+]1C ZINC001571265300 945506426 /nfs/dbraw/zinc/50/64/26/945506426.db2.gz GCKWEJYUXXCABB-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CC[N@@H+]1C ZINC001571265300 945506434 /nfs/dbraw/zinc/50/64/34/945506434.db2.gz GCKWEJYUXXCABB-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3cncc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571265300 945506439 /nfs/dbraw/zinc/50/64/39/945506439.db2.gz GCKWEJYUXXCABB-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265308 945507787 /nfs/dbraw/zinc/50/77/87/945507787.db2.gz GYMBBVSIMSXYIT-KBPBESRZSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265308 945507791 /nfs/dbraw/zinc/50/77/91/945507791.db2.gz GYMBBVSIMSXYIT-KBPBESRZSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265308 945507800 /nfs/dbraw/zinc/50/78/00/945507800.db2.gz GYMBBVSIMSXYIT-KBPBESRZSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571265416 945509463 /nfs/dbraw/zinc/50/94/63/945509463.db2.gz GKLDNSPHWGKQRZ-CQSZACIVSA-N 0 1 385.476 0.212 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)[C@@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571265737 945518524 /nfs/dbraw/zinc/51/85/24/945518524.db2.gz JHFPCNBMXRNRFG-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN CC[C@H](C(=O)N1CC[C@H]2CN(c3nc(C)cc(-c4nn[n-]n4)n3)C[C@H]21)[NH+](C)C ZINC001571265756 945518700 /nfs/dbraw/zinc/51/87/00/945518700.db2.gz JPHFTFZOUSFDSM-NWANDNLSSA-N 0 1 385.476 0.342 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001571265741 945519182 /nfs/dbraw/zinc/51/91/82/945519182.db2.gz JJTPTIGSBHGDLM-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC001571265705 945519314 /nfs/dbraw/zinc/51/93/14/945519314.db2.gz OYUNOBUBDUVGIL-HIFRSBDPSA-N 0 1 385.476 0.487 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001571265705 945519318 /nfs/dbraw/zinc/51/93/18/945519318.db2.gz OYUNOBUBDUVGIL-HIFRSBDPSA-N 0 1 385.476 0.487 20 0 GCADMN O=C(c1cncc(Cl)c1)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571265817 945520409 /nfs/dbraw/zinc/52/04/09/945520409.db2.gz PPWBKSTWQODUPO-GFCCVEGCSA-N 0 1 385.819 0.844 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC[N@@H+]1C ZINC001571265899 945523762 /nfs/dbraw/zinc/52/37/62/945523762.db2.gz SMAOPQQBILUNDQ-MELADBBJSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001571265899 945523772 /nfs/dbraw/zinc/52/37/72/945523772.db2.gz SMAOPQQBILUNDQ-MELADBBJSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001571265899 945523782 /nfs/dbraw/zinc/52/37/82/945523782.db2.gz SMAOPQQBILUNDQ-MELADBBJSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001571265899 945523793 /nfs/dbraw/zinc/52/37/93/945523793.db2.gz SMAOPQQBILUNDQ-MELADBBJSA-N 0 1 385.476 0.790 20 0 GCADMN C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571265866 945524225 /nfs/dbraw/zinc/52/42/25/945524225.db2.gz QUJUVNXGKJVMER-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001571265866 945524238 /nfs/dbraw/zinc/52/42/38/945524238.db2.gz QUJUVNXGKJVMER-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571265866 945524251 /nfs/dbraw/zinc/52/42/51/945524251.db2.gz QUJUVNXGKJVMER-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001571265866 945524265 /nfs/dbraw/zinc/52/42/65/945524265.db2.gz QUJUVNXGKJVMER-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571266034 945528576 /nfs/dbraw/zinc/52/85/76/945528576.db2.gz UGMKQOZPRBDSND-UKRRQHHQSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCCCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001571266034 945528579 /nfs/dbraw/zinc/52/85/79/945528579.db2.gz UGMKQOZPRBDSND-UKRRQHHQSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571266041 945528790 /nfs/dbraw/zinc/52/87/90/945528790.db2.gz UMOHSMKPUSAGQC-UKRRQHHQSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571266041 945528799 /nfs/dbraw/zinc/52/87/99/945528799.db2.gz UMOHSMKPUSAGQC-UKRRQHHQSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001571266012 945529264 /nfs/dbraw/zinc/52/92/64/945529264.db2.gz MTTRJZFDXSMNEJ-HIFRSBDPSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266185 945533025 /nfs/dbraw/zinc/53/30/25/945533025.db2.gz NFECBUYANTWWFP-HIFRSBDPSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266185 945533035 /nfs/dbraw/zinc/53/30/35/945533035.db2.gz NFECBUYANTWWFP-HIFRSBDPSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266185 945533044 /nfs/dbraw/zinc/53/30/44/945533044.db2.gz NFECBUYANTWWFP-HIFRSBDPSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266185 945533048 /nfs/dbraw/zinc/53/30/48/945533048.db2.gz NFECBUYANTWWFP-HIFRSBDPSA-N 0 1 385.476 0.790 20 0 GCADMN C[N@H+](CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C1CCC1 ZINC001571266197 945533339 /nfs/dbraw/zinc/53/33/39/945533339.db2.gz NJXYHRIHJRYLIJ-CQSZACIVSA-N 0 1 385.476 0.790 20 0 GCADMN C[N@@H+](CC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C1CCC1 ZINC001571266197 945533344 /nfs/dbraw/zinc/53/33/44/945533344.db2.gz NJXYHRIHJRYLIJ-CQSZACIVSA-N 0 1 385.476 0.790 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571266296 945536771 /nfs/dbraw/zinc/53/67/71/945536771.db2.gz OXOXYFMOBRVLCL-KBPBESRZSA-N 0 1 385.476 0.616 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571266296 945536780 /nfs/dbraw/zinc/53/67/80/945536780.db2.gz OXOXYFMOBRVLCL-KBPBESRZSA-N 0 1 385.476 0.616 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001571266283 945536954 /nfs/dbraw/zinc/53/69/54/945536954.db2.gz OTOMKJBICBROOC-ZDUSSCGKSA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001571266283 945536959 /nfs/dbraw/zinc/53/69/59/945536959.db2.gz OTOMKJBICBROOC-ZDUSSCGKSA-N 0 1 385.476 0.256 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571266297 945536976 /nfs/dbraw/zinc/53/69/76/945536976.db2.gz OXOXYFMOBRVLCL-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571266297 945536982 /nfs/dbraw/zinc/53/69/82/945536982.db2.gz OXOXYFMOBRVLCL-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571266373 945538994 /nfs/dbraw/zinc/53/89/94/945538994.db2.gz PJACEWBYGHFWFS-AWEZNQCLSA-N 0 1 385.476 0.792 20 0 GCADMN C[NH+]1CCC(C(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571266373 945539011 /nfs/dbraw/zinc/53/90/11/945539011.db2.gz PJACEWBYGHFWFS-AWEZNQCLSA-N 0 1 385.476 0.792 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571266358 945539430 /nfs/dbraw/zinc/53/94/30/945539430.db2.gz PDSRQSKSJDFZEN-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266358 945539434 /nfs/dbraw/zinc/53/94/34/945539434.db2.gz PDSRQSKSJDFZEN-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266358 945539437 /nfs/dbraw/zinc/53/94/37/945539437.db2.gz PDSRQSKSJDFZEN-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266325 945540044 /nfs/dbraw/zinc/54/00/44/945540044.db2.gz ZKDNHKZJDPGTGF-UONOGXRCSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266325 945540053 /nfs/dbraw/zinc/54/00/53/945540053.db2.gz ZKDNHKZJDPGTGF-UONOGXRCSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266325 945540061 /nfs/dbraw/zinc/54/00/61/945540061.db2.gz ZKDNHKZJDPGTGF-UONOGXRCSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266325 945540070 /nfs/dbraw/zinc/54/00/70/945540070.db2.gz ZKDNHKZJDPGTGF-UONOGXRCSA-N 0 1 385.476 0.567 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001571266466 945540798 /nfs/dbraw/zinc/54/07/98/945540798.db2.gz REUUWLPUZYVYSO-ZDUSSCGKSA-N 0 1 385.476 0.210 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001571266466 945540803 /nfs/dbraw/zinc/54/08/03/945540803.db2.gz REUUWLPUZYVYSO-ZDUSSCGKSA-N 0 1 385.476 0.210 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001571266466 945540807 /nfs/dbraw/zinc/54/08/07/945540807.db2.gz REUUWLPUZYVYSO-ZDUSSCGKSA-N 0 1 385.476 0.210 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001571266466 945540810 /nfs/dbraw/zinc/54/08/10/945540810.db2.gz REUUWLPUZYVYSO-ZDUSSCGKSA-N 0 1 385.476 0.210 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC1 ZINC001571266418 945542438 /nfs/dbraw/zinc/54/24/38/945542438.db2.gz QGIXERNQYQWBQF-ZIAGYGMSSA-N 0 1 385.476 0.838 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571266418 945542443 /nfs/dbraw/zinc/54/24/43/945542443.db2.gz QGIXERNQYQWBQF-ZIAGYGMSSA-N 0 1 385.476 0.838 20 0 GCADMN C[NH+]1CCC(CC(=O)N2CCC[C@H](Nc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571266517 945544912 /nfs/dbraw/zinc/54/49/12/945544912.db2.gz SUAOOHTVFAXWBE-AWEZNQCLSA-N 0 1 385.476 0.792 20 0 GCADMN C[NH+]1CCC(CC(=O)N2CCC[C@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571266517 945544924 /nfs/dbraw/zinc/54/49/24/945544924.db2.gz SUAOOHTVFAXWBE-AWEZNQCLSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001571266618 945546683 /nfs/dbraw/zinc/54/66/83/945546683.db2.gz VJXIZNABQFEHBE-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001571266618 945546689 /nfs/dbraw/zinc/54/66/89/945546689.db2.gz VJXIZNABQFEHBE-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571266592 945548027 /nfs/dbraw/zinc/54/80/27/945548027.db2.gz UVTKRDNXLGLBQZ-TZMCWYRMSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571266592 945548033 /nfs/dbraw/zinc/54/80/33/945548033.db2.gz UVTKRDNXLGLBQZ-TZMCWYRMSA-N 0 1 385.476 0.505 20 0 GCADMN CC(C)[C@@H](C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001571266713 945548853 /nfs/dbraw/zinc/54/88/53/945548853.db2.gz XWHKNSFCQYOPHH-BBRMVZONSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[C@@H](C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001571266714 945549137 /nfs/dbraw/zinc/54/91/37/945549137.db2.gz XWHKNSFCQYOPHH-CJNGLKHVSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571266712 945549594 /nfs/dbraw/zinc/54/95/94/945549594.db2.gz XRIFTHFOEJETKO-UKRRQHHQSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571266712 945549596 /nfs/dbraw/zinc/54/95/96/945549596.db2.gz XRIFTHFOEJETKO-UKRRQHHQSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571266684 945549785 /nfs/dbraw/zinc/54/97/85/945549785.db2.gz WNQKFXBVUXWSIS-HIFRSBDPSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571266684 945549789 /nfs/dbraw/zinc/54/97/89/945549789.db2.gz WNQKFXBVUXWSIS-HIFRSBDPSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)[C@@H](C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)[NH+]1CCCC1 ZINC001571266787 945551412 /nfs/dbraw/zinc/55/14/12/945551412.db2.gz ZGAQOIGVYKRCIK-INIZCTEOSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)[C@@H](C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[NH+]1CCCC1 ZINC001571266787 945551420 /nfs/dbraw/zinc/55/14/20/945551420.db2.gz ZGAQOIGVYKRCIK-INIZCTEOSA-N 0 1 385.476 0.426 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571266796 945552915 /nfs/dbraw/zinc/55/29/15/945552915.db2.gz ZJJPSCXATRGLGA-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571266796 945552921 /nfs/dbraw/zinc/55/29/21/945552921.db2.gz ZJJPSCXATRGLGA-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN CCOC(=O)c1cc(OCC)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC001571266876 945553747 /nfs/dbraw/zinc/55/37/47/945553747.db2.gz AYLUIEQTRXCQSH-UHFFFAOYSA-N 0 1 386.372 0.672 20 0 GCADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571266813 945553991 /nfs/dbraw/zinc/55/39/91/945553991.db2.gz ZPDZNROPEIBPSG-OLZOCXBDSA-N 0 1 385.476 0.790 20 0 GCADMN Cc1cc(F)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(F)c1 ZINC001571266996 945558496 /nfs/dbraw/zinc/55/84/96/945558496.db2.gz FSWBZMIVZMHVAI-SNVBAGLBSA-N 0 1 386.366 0.992 20 0 GCADMN COC(=O)Nc1ccc(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001571267353 945566963 /nfs/dbraw/zinc/56/69/63/945566963.db2.gz ROXYNBAVTDKWPL-UHFFFAOYSA-N 0 1 386.376 0.136 20 0 GCADMN C[C@H]1CN(C(=O)c2cc(F)ccc2F)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571267592 945573731 /nfs/dbraw/zinc/57/37/31/945573731.db2.gz ZHNUTXFMKIGAKU-ZANVPECISA-N 0 1 386.366 0.929 20 0 GCADMN O=C(NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cnn(CCF)c1 ZINC001571267986 945583123 /nfs/dbraw/zinc/58/31/23/945583123.db2.gz KIPNRKFUPLOGHQ-LBPRGKRZSA-N 0 1 386.395 0.222 20 0 GCADMN Cc1cc(N2C[C@@H](NC(=O)[C@@H]3COC(=O)N3)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571268388 945593995 /nfs/dbraw/zinc/59/39/95/945593995.db2.gz FPGPGDXZHFAISM-WCQYABFASA-N 0 1 386.416 0.010 20 0 GCADMN O=C(CCc1c[nH]nn1)N1CCCN(c2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001571268664 945601888 /nfs/dbraw/zinc/60/18/88/945601888.db2.gz WJWFEHMBZCAJKR-UHFFFAOYSA-N 0 1 386.395 0.190 20 0 GCADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCO[C@H](CNCc2ccc(F)cn2)C1 ZINC001571268836 945606504 /nfs/dbraw/zinc/60/65/04/945606504.db2.gz XTENDOHNJRSMFW-CQSZACIVSA-N 0 1 386.391 0.360 20 0 GCADMN O=C(C[C@H]1CCOC1)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571269120 945613605 /nfs/dbraw/zinc/61/36/05/945613605.db2.gz PHKKCSWQRAFPFH-TXPWEPMLSA-N 0 1 386.431 0.979 20 0 GCADMN Cc1cc(CN[C@@H](C)[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)on1 ZINC001571269227 945615398 /nfs/dbraw/zinc/61/53/98/945615398.db2.gz SPVIFWKLLHMAMG-NHYWBVRUSA-N 0 1 386.416 0.511 20 0 GCADMN Cc1cc(CN[C@H](C)[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)on1 ZINC001571269225 945615843 /nfs/dbraw/zinc/61/58/43/945615843.db2.gz SPVIFWKLLHMAMG-ABAIWWIYSA-N 0 1 386.416 0.511 20 0 GCADMN Cc1cc(CN[C@H](C)[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCO2)on1 ZINC001571269226 945616187 /nfs/dbraw/zinc/61/61/87/945616187.db2.gz SPVIFWKLLHMAMG-IAQYHMDHSA-N 0 1 386.416 0.511 20 0 GCADMN O=C(c1csnn1)N1CCCC[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571269820 945625561 /nfs/dbraw/zinc/62/55/61/945625561.db2.gz DKCUYURXQPPKPW-JTQLQIEISA-N 0 1 386.445 0.427 20 0 GCADMN O=C(c1ccsn1)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571270060 945631258 /nfs/dbraw/zinc/63/12/58/945631258.db2.gz LVCOBOFBPZASDA-LLVKDONJSA-N 0 1 386.441 0.483 20 0 GCADMN COc1csc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571270043 945631990 /nfs/dbraw/zinc/63/19/90/945631990.db2.gz LFYBSPHKCZATIN-AOOOYVTPSA-N 0 1 386.441 0.769 20 0 GCADMN COc1ccsc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571270512 945637002 /nfs/dbraw/zinc/63/70/02/945637002.db2.gz UIOPDPOISSXVCJ-ZJUUUORDSA-N 0 1 386.441 0.864 20 0 GCADMN COc1cc(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)sn1 ZINC001571270571 945639390 /nfs/dbraw/zinc/63/93/90/945639390.db2.gz VJZXIOUOZRICQO-SNVBAGLBSA-N 0 1 386.441 0.983 20 0 GCADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CN1C(=O)Cc1cnn(C)c1 ZINC001571271818 945649813 /nfs/dbraw/zinc/64/98/13/945649813.db2.gz KLMGIWZCZTWOOW-DGCLKSJQSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CN1C(=O)Cc1cnn(C)c1 ZINC001571271818 945649815 /nfs/dbraw/zinc/64/98/15/945649815.db2.gz KLMGIWZCZTWOOW-DGCLKSJQSA-N 0 1 386.485 0.983 20 0 GCADMN CN(C(=O)Cc1ccn(C)n1)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571272052 945653789 /nfs/dbraw/zinc/65/37/89/945653789.db2.gz NRIHNGRXDUXQGZ-UHFFFAOYSA-N 0 1 386.485 0.983 20 0 GCADMN CN(C(=O)Cc1ccn(C)n1)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571272052 945653795 /nfs/dbraw/zinc/65/37/95/945653795.db2.gz NRIHNGRXDUXQGZ-UHFFFAOYSA-N 0 1 386.485 0.983 20 0 GCADMN CN1CCCC[C@H]1C(=O)N1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001571272396 945661922 /nfs/dbraw/zinc/66/19/22/945661922.db2.gz CWMXFFCXSCWPJA-ZFWWWQNUSA-N 0 1 386.460 0.400 20 0 GCADMN COC1CCC(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001571272667 945667084 /nfs/dbraw/zinc/66/70/84/945667084.db2.gz HLVNCSXRHBDZAY-UHFFFAOYSA-N 0 1 386.460 0.687 20 0 GCADMN C[C@@H]1CCN(C(=O)C[C@H]2CCOC2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571272663 945667336 /nfs/dbraw/zinc/66/73/36/945667336.db2.gz HCUMXPJQZFORGT-MCIONIFRSA-N 0 1 386.460 0.544 20 0 GCADMN CN1CCC[C@H]1C(=O)N1CCC[C@](CO)(Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571272652 945667535 /nfs/dbraw/zinc/66/75/35/945667535.db2.gz GXHFHBRVEBLYQT-KSSFIOAISA-N 0 1 386.460 0.121 20 0 GCADMN CO[C@H]1CCC[C@@H](C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001571272953 945675591 /nfs/dbraw/zinc/67/55/91/945675591.db2.gz LOJMIVWQIDKVIV-OCCSQVGLSA-N 0 1 386.460 0.687 20 0 GCADMN CN(C(=O)C[C@@H]1CCCO1)C1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571273041 945678334 /nfs/dbraw/zinc/67/83/34/945678334.db2.gz NRTPCBUVGHZGFP-RUXDESIVSA-N 0 1 386.460 0.829 20 0 GCADMN CN(C(=O)C[C@H]1CC(C)(C)CO1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571273156 945679518 /nfs/dbraw/zinc/67/95/18/945679518.db2.gz QTCJZJYFXLDVOG-OLZOCXBDSA-N 0 1 386.460 0.899 20 0 GCADMN CN(CC1CCN(C(=O)[C@@H]2CCCCO2)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571273098 945680321 /nfs/dbraw/zinc/68/03/21/945680321.db2.gz PARBZAYPSOELOJ-AWEZNQCLSA-N 0 1 386.460 0.901 20 0 GCADMN CNC(=O)CN1CCC[C@@H]2[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)[C@H]21 ZINC001571273264 945683087 /nfs/dbraw/zinc/68/30/87/945683087.db2.gz UGSHCDGCMABTNN-DFBGVHRSSA-N 0 1 386.460 0.160 20 0 GCADMN O=C(CC1CCOCC1)N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571273465 945687894 /nfs/dbraw/zinc/68/78/94/945687894.db2.gz XWJIYSMTDRSWHC-ZIAGYGMSSA-N 0 1 386.460 0.592 20 0 GCADMN CN1CCCC[C@@H]1C(=O)NC[C@H]1COCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001571273434 945687912 /nfs/dbraw/zinc/68/79/12/945687912.db2.gz XMLBZVPTWXKTSN-GOEBONIOSA-N 0 1 386.460 0.067 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001571275446 945707674 /nfs/dbraw/zinc/70/76/74/945707674.db2.gz ULHILMWCOFLVHN-UHFFFAOYSA-N 0 1 387.370 0.333 20 0 GCADMN CCOC1CC(CC(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571275701 945714124 /nfs/dbraw/zinc/71/41/24/945714124.db2.gz AXOAIMXPUROPIJ-AEBJDNRDSA-N 0 1 386.460 0.591 20 0 GCADMN CC[C@@H]1C[C@H](C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCO1 ZINC001571275763 945714501 /nfs/dbraw/zinc/71/45/01/945714501.db2.gz BXXWQKPSNXZLFP-YIYPIFLZSA-N 0 1 386.460 0.591 20 0 GCADMN C[C@H](Nc1ncccc1-c1nn[nH]n1)[C@@H]1CN(C(=O)CN2CCCC2)CCO1 ZINC001571275749 945714626 /nfs/dbraw/zinc/71/46/26/945714626.db2.gz BSIKAPVECNRVFQ-ZFWWWQNUSA-N 0 1 386.460 0.385 20 0 GCADMN C[C@H](CN1CCOCC1)C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571275913 945718684 /nfs/dbraw/zinc/71/86/84/945718684.db2.gz FPQVGWAFMBKPBR-UKRRQHHQSA-N 0 1 386.460 0.243 20 0 GCADMN CN1C[C@@H](C(=O)N2CC[C@@H](NCc3ccc(-c4nn[nH]n4)cc3F)C2)CC1=O ZINC001571276283 945729443 /nfs/dbraw/zinc/72/94/43/945729443.db2.gz GXLCPNVTVGQQKP-UONOGXRCSA-N 0 1 387.419 0.175 20 0 GCADMN CC[C@@H](OC)C(=O)N1CC[C@@]2(C1)CCCN(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001571277627 945744154 /nfs/dbraw/zinc/74/41/54/945744154.db2.gz MPJTZKUHHDSMLX-ACJLOTCBSA-N 0 1 386.460 0.901 20 0 GCADMN C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571278635 945754970 /nfs/dbraw/zinc/75/49/70/945754970.db2.gz PVAIYCYIUOVSHR-TZMCWYRMSA-N 0 1 386.460 0.402 20 0 GCADMN CC1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CCCCC1 ZINC001571278973 945764730 /nfs/dbraw/zinc/76/47/30/945764730.db2.gz TXNUFZYHDHCUJQ-OLZOCXBDSA-N 0 1 386.460 0.683 20 0 GCADMN O=C(C[C@@H]1CCCOC1)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571278942 945764796 /nfs/dbraw/zinc/76/47/96/945764796.db2.gz SCCRWCUBQRABOU-UAGQMJEPSA-N 0 1 386.456 0.345 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001571279311 945775244 /nfs/dbraw/zinc/77/52/44/945775244.db2.gz UQLUNMMWCJLBJI-XIKOKIGWSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571279345 945775402 /nfs/dbraw/zinc/77/54/02/945775402.db2.gz VHZQVPGYXVCIHE-TZMCWYRMSA-N 0 1 386.460 0.544 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C2(C)CCOCC2)CC1 ZINC001571279360 945776340 /nfs/dbraw/zinc/77/63/40/945776340.db2.gz VQNMPCTVBUOMMH-UHFFFAOYSA-N 0 1 386.460 0.688 20 0 GCADMN O=S(=O)(c1ccc(-c2nn[nH]n2)o1)N1CCCS(=O)(=O)C[C@H]1C1CC1 ZINC001571279422 945777292 /nfs/dbraw/zinc/77/72/92/945777292.db2.gz OFQPSUFGHMWJPW-JTQLQIEISA-N 0 1 387.443 0.048 20 0 GCADMN CC1(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCOCC1 ZINC001571279377 945778016 /nfs/dbraw/zinc/77/80/16/945778016.db2.gz VYNJEMWKLXQDTF-UHFFFAOYSA-N 0 1 386.460 0.735 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573447770 945801376 /nfs/dbraw/zinc/80/13/76/945801376.db2.gz AIILULWFILLAGS-DVOMOZLQSA-N 0 1 384.444 0.062 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573448719 945807307 /nfs/dbraw/zinc/80/73/07/945807307.db2.gz LIZQWCWSZZRTPV-BDJLRTHQSA-N 0 1 389.435 0.611 20 0 GCADMN O=C(CCn1ccnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571281617 945807358 /nfs/dbraw/zinc/80/73/58/945807358.db2.gz KCXFTSMMBQLJDL-LBPRGKRZSA-N 0 1 387.473 0.548 20 0 GCADMN O=C(CCn1ccnn1)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571281617 945807361 /nfs/dbraw/zinc/80/73/61/945807361.db2.gz KCXFTSMMBQLJDL-LBPRGKRZSA-N 0 1 387.473 0.548 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573456449 945893923 /nfs/dbraw/zinc/89/39/23/945893923.db2.gz KVVVHWIUKOJGGT-HNNXBMFYSA-N 0 1 386.460 0.247 20 0 GCADMN CC(C)[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)[C@H](C)C1)[NH+](C)C ZINC001571284228 945896664 /nfs/dbraw/zinc/89/66/64/945896664.db2.gz NOTXRFDBUHADEW-NFAWXSAZSA-N 0 1 387.492 0.171 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1c(Cl)cnn1C ZINC001571284430 945902149 /nfs/dbraw/zinc/90/21/49/945902149.db2.gz QKBUBSGTHRWPTM-SKDRFNHKSA-N 0 1 387.835 0.786 20 0 GCADMN CC[C@H](C(=O)N1CCC(CN(C)c2nccnc2-c2nnn[n-]2)CC1)[NH+](C)C ZINC001571284653 945905088 /nfs/dbraw/zinc/90/50/88/945905088.db2.gz SDHMDPWDONXPQE-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC[C@H](C(=O)N1CCC(CN(C)c2nccnc2-c2nn[n-]n2)CC1)[NH+](C)C ZINC001571284653 945905098 /nfs/dbraw/zinc/90/50/98/945905098.db2.gz SDHMDPWDONXPQE-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)CC(C)C ZINC001573460046 945914471 /nfs/dbraw/zinc/91/44/71/945914471.db2.gz HZMBLDYXXNBSKJ-CYBMUJFWSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573461600 945922511 /nfs/dbraw/zinc/92/25/11/945922511.db2.gz QCZAMZSSMSKOGS-UHFFFAOYSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573461600 945922520 /nfs/dbraw/zinc/92/25/20/945922520.db2.gz QCZAMZSSMSKOGS-UHFFFAOYSA-N 0 1 391.501 0.924 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573462181 945932893 /nfs/dbraw/zinc/93/28/93/945932893.db2.gz BSKDBWOGRAKXAQ-ZDUSSCGKSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573462181 945932896 /nfs/dbraw/zinc/93/28/96/945932896.db2.gz BSKDBWOGRAKXAQ-ZDUSSCGKSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573462245 945933510 /nfs/dbraw/zinc/93/35/10/945933510.db2.gz DJUCCNXXGFIDME-ZCFIWIBFSA-N 0 1 386.869 0.808 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573462298 945936786 /nfs/dbraw/zinc/93/67/86/945936786.db2.gz FUKRYOYHSBUFAZ-JQWIXIFHSA-N 0 1 387.448 0.045 20 0 GCADMN COc1ncc(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1-c1nn[nH]n1 ZINC001571286423 945947068 /nfs/dbraw/zinc/94/70/68/945947068.db2.gz HJMJGOWECZNARU-UONOGXRCSA-N 0 1 388.432 0.333 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573463171 945951761 /nfs/dbraw/zinc/95/17/61/945951761.db2.gz SBIIUHSWRMJHON-HNNXBMFYSA-N 0 1 386.460 0.213 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NCCN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573463807 945960681 /nfs/dbraw/zinc/96/06/81/945960681.db2.gz BRLFOEUPDNRTNV-UHFFFAOYSA-N 0 1 377.424 0.469 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573464252 945964091 /nfs/dbraw/zinc/96/40/91/945964091.db2.gz IHIOKLRBSYKFHD-PHIMTYICSA-N 0 1 377.474 0.580 20 0 GCADMN 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ZINC000822424226 946084758 /nfs/dbraw/zinc/08/47/58/946084758.db2.gz UQQLOFJAVRQVDJ-UHFFFAOYSA-N 0 1 389.416 0.401 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001573474885 946097488 /nfs/dbraw/zinc/09/74/88/946097488.db2.gz OOXGADFBMOFKFI-NTZNESFSSA-N 0 1 391.501 0.637 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001573474885 946097498 /nfs/dbraw/zinc/09/74/98/946097498.db2.gz OOXGADFBMOFKFI-NTZNESFSSA-N 0 1 391.501 0.637 20 0 GCADMN Cc1cc(NCC[C@@H]2CCN(C(=O)[C@]3(F)CCOC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571293172 946099623 /nfs/dbraw/zinc/09/96/23/946099623.db2.gz ATBCJKPGRCUZRS-ACJLOTCBSA-N 0 1 389.435 0.771 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@@H]1CCc2cccnc21 ZINC001571293389 946104060 /nfs/dbraw/zinc/10/40/60/946104060.db2.gz GWLLYWMOXFFMNV-FOCJUVANSA-N 0 1 389.423 0.333 20 0 GCADMN CC[C@H](OC)C(=O)N1CCC[C@](CO)(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571293563 946108466 /nfs/dbraw/zinc/10/84/66/946108466.db2.gz LFVIBTQOFNPAHB-YJBOKZPZSA-N 0 1 389.460 0.182 20 0 GCADMN CC[C@H](OC)C(=O)N1CCC[C@@](CO)(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571293561 946109392 /nfs/dbraw/zinc/10/93/92/946109392.db2.gz LFVIBTQOFNPAHB-MAUKXSAKSA-N 0 1 389.460 0.182 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573476082 946111613 /nfs/dbraw/zinc/11/16/13/946111613.db2.gz YTSKDIIORFSNBH-SCDSUCTJSA-N 0 1 386.460 0.023 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573476102 946112312 /nfs/dbraw/zinc/11/23/12/946112312.db2.gz ZARJNXXAPGPLSW-QGHHPUGFSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573476102 946112316 /nfs/dbraw/zinc/11/23/16/946112316.db2.gz ZARJNXXAPGPLSW-QGHHPUGFSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@H](C)CN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573476214 946116682 /nfs/dbraw/zinc/11/66/82/946116682.db2.gz 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0.376 20 0 GCADMN O=C(N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571294831 946146108 /nfs/dbraw/zinc/14/61/08/946146108.db2.gz NFPPRQVNGMCIOE-MRVPVSSYSA-N 0 1 390.358 0.716 20 0 GCADMN O=C(c1cc(C(F)F)n[nH]1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571294796 946146224 /nfs/dbraw/zinc/14/62/24/946146224.db2.gz MFWFJXCDRWDCEQ-MRVPVSSYSA-N 0 1 390.358 0.456 20 0 GCADMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001571294914 946148441 /nfs/dbraw/zinc/14/84/41/946148441.db2.gz MLVQHGFPPIZSQW-UHTWSYAYSA-N 0 1 389.485 0.472 20 0 GCADMN C[N@H+](Cc1ccc(-c2nnn[n-]2)s1)C[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(N)=O ZINC001571294914 946148449 /nfs/dbraw/zinc/14/84/49/946148449.db2.gz MLVQHGFPPIZSQW-UHTWSYAYSA-N 0 1 389.485 0.472 20 0 GCADMN O=C(NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCC1(F)F)c1cn[nH]c1 ZINC001571295133 946153999 /nfs/dbraw/zinc/15/39/99/946153999.db2.gz UMMQWQRSJZHFNC-SNVBAGLBSA-N 0 1 390.358 0.271 20 0 GCADMN 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C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)n1cncn1 ZINC001573691794 948247289 /nfs/dbraw/zinc/24/72/89/948247289.db2.gz ITDYCTVSVICVKS-LLVKDONJSA-N 0 1 387.473 0.909 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573439719 948252464 /nfs/dbraw/zinc/25/24/64/948252464.db2.gz QDZXGHRCSXCVSH-SUYBPPKGSA-N 0 1 398.471 0.201 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N(C)[C@@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573440080 948260894 /nfs/dbraw/zinc/26/08/94/948260894.db2.gz ZJCNYDXGSABPDA-JSGCOSHPSA-N 0 1 386.460 0.201 20 0 GCADMN O=C(Cc1ccc(-c2nn[nH]n2)cc1)OCCOCCNC(=O)C(F)(F)F ZINC000826421847 948268088 /nfs/dbraw/zinc/26/80/88/948268088.db2.gz BWZODPOHWLJBFX-UHFFFAOYSA-N 0 1 387.318 0.648 20 0 GCADMN CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573441687 948274880 /nfs/dbraw/zinc/27/48/80/948274880.db2.gz MONSJBJLPZZQND-CYBMUJFWSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573441687 948274888 /nfs/dbraw/zinc/27/48/88/948274888.db2.gz MONSJBJLPZZQND-CYBMUJFWSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573442233 948289662 /nfs/dbraw/zinc/28/96/62/948289662.db2.gz FWZBMBRNYHGQJL-OCCSQVGLSA-N 0 1 386.460 0.106 20 0 GCADMN C[C@H](C(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCC1 ZINC001573694441 948293069 /nfs/dbraw/zinc/29/30/69/948293069.db2.gz VQBBXZOTSTWXOC-KPZWWZAWSA-N 0 1 386.460 0.804 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573444152 948313118 /nfs/dbraw/zinc/31/31/18/948313118.db2.gz RXWKKLDXTIYCPE-MGPQQGTHSA-N 0 1 384.444 0.001 20 0 GCADMN C[C@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573696208 948320788 /nfs/dbraw/zinc/32/07/88/948320788.db2.gz MCCMTTRXJLWPNU-APPDUMDISA-N 0 1 384.400 0.111 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)N(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573445253 948321789 /nfs/dbraw/zinc/32/17/89/948321789.db2.gz ZBGAIPOBYPVOPZ-OCCSQVGLSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccc1 ZINC001573696735 948332844 /nfs/dbraw/zinc/33/28/44/948332844.db2.gz WOWBBEUPAXKFGT-XDQVBPFNSA-N 0 1 379.428 0.518 20 0 GCADMN C[C@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCCC1 ZINC001573696829 948333669 /nfs/dbraw/zinc/33/36/69/948333669.db2.gz XPWFGQAGXQCQGT-KPZWWZAWSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573705025 948389763 /nfs/dbraw/zinc/38/97/63/948389763.db2.gz VEFFPATZVABKDY-TZMCWYRMSA-N 0 1 379.428 0.940 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCCC1 ZINC001573706403 948418651 /nfs/dbraw/zinc/41/86/51/948418651.db2.gz IYHHAGLSSCAQTF-TZMCWYRMSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573706681 948422723 /nfs/dbraw/zinc/42/27/23/948422723.db2.gz KTKJCOFZWJMCAI-LBPRGKRZSA-N 0 1 382.432 0.235 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCC(=O)N1 ZINC001573706934 948426767 /nfs/dbraw/zinc/42/67/67/948426767.db2.gz LRWVJOICWYZYFP-MLGOLLRUSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573707749 948437684 /nfs/dbraw/zinc/43/76/84/948437684.db2.gz PJHGBYLQGALGOD-CYBMUJFWSA-N 0 1 381.444 0.840 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC(=O)N1 ZINC001573708453 948450420 /nfs/dbraw/zinc/45/04/20/948450420.db2.gz UUWXSOHHETVXER-MLGOLLRUSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)S(C)(=O)=O ZINC001573708773 948457379 /nfs/dbraw/zinc/45/73/79/948457379.db2.gz XNGWXXLNPSICAT-GXTWGEPZSA-N 0 1 392.485 0.238 20 0 GCADMN C[C@@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573708724 948457496 /nfs/dbraw/zinc/45/74/96/948457496.db2.gz XOCPCOGZWWJCDR-ZDUSSCGKSA-N 0 1 381.444 0.840 20 0 GCADMN C[C@H](C(=O)NCCC1(CNc2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573708723 948457857 /nfs/dbraw/zinc/45/78/57/948457857.db2.gz XOCPCOGZWWJCDR-CYBMUJFWSA-N 0 1 381.444 0.840 20 0 GCADMN C[C@H](C(=O)NCCCN(C)c1cncc(-c2nnn[n-]2)n1)[NH+]1CCCCCC1 ZINC001573715270 948486041 /nfs/dbraw/zinc/48/60/41/948486041.db2.gz SKJBABXGRABOMF-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@H](C(=O)NCCCN(C)c1cncc(-c2nn[n-]n2)n1)[NH+]1CCCCCC1 ZINC001573715270 948486045 /nfs/dbraw/zinc/48/60/45/948486045.db2.gz SKJBABXGRABOMF-CQSZACIVSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573716558 948500884 /nfs/dbraw/zinc/50/08/84/948500884.db2.gz HUCQUBOZBNNWCX-UWVGGRQHSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@@H](CCNC(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573716558 948500886 /nfs/dbraw/zinc/50/08/86/948500886.db2.gz HUCQUBOZBNNWCX-UWVGGRQHSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@@H](C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573721039 948537564 /nfs/dbraw/zinc/53/75/64/948537564.db2.gz VPGNYMHWWZXZPP-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)n1cccn1 ZINC001573726320 948550128 /nfs/dbraw/zinc/55/01/28/948550128.db2.gz IBIXLSIEXQDNFE-FRRDWIJNSA-N 0 1 382.432 0.303 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573728137 948559627 /nfs/dbraw/zinc/55/96/27/948559627.db2.gz PITISENWWHDIEH-GARJFASQSA-N 0 1 391.436 0.439 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)n1cncn1 ZINC001573730163 948577529 /nfs/dbraw/zinc/57/75/29/948577529.db2.gz YZTASVHKVDPNLM-FRRDWIJNSA-N 0 1 382.432 0.303 20 0 GCADMN C[C@H](C(=O)NCc1nc(Cc2ccccc2F)no1)n1cnc(-c2nn[nH]n2)n1 ZINC001573731716 948594091 /nfs/dbraw/zinc/59/40/91/948594091.db2.gz XYOXOHHXEQMYAN-SECBINFHSA-N 0 1 398.362 0.449 20 0 GCADMN C[C@H](C(=O)N[C@@H](C)CNCc1cc(-c2nn[nH]n2)ccc1F)S(C)(=O)=O ZINC001573732712 948607596 /nfs/dbraw/zinc/60/75/96/948607596.db2.gz VXAAKSUKDXHCHX-VHSXEESVSA-N 0 1 384.437 0.033 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cncn1 ZINC001573736069 948613269 /nfs/dbraw/zinc/61/32/69/948613269.db2.gz GDWXTFUVQSDPBL-CZUORRHYSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O)n1cnc(-c2nn[nH]n2)n1 ZINC001573739561 948620794 /nfs/dbraw/zinc/62/07/94/948620794.db2.gz FNYZUKNYIIBGMD-NMLBEHRDSA-N 0 1 390.429 0.470 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C(C)(F)F ZINC001573739834 948623882 /nfs/dbraw/zinc/62/38/82/948623882.db2.gz BSYXKUNFXBDDEN-ZLKJLUDKSA-N 0 1 380.399 0.819 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573746805 948685557 /nfs/dbraw/zinc/68/55/57/948685557.db2.gz LFAXXTRZJRBUFM-KQXIARHKSA-N 0 1 389.485 0.580 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001573746805 948685568 /nfs/dbraw/zinc/68/55/68/948685568.db2.gz LFAXXTRZJRBUFM-KQXIARHKSA-N 0 1 389.485 0.580 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)n1cccn1 ZINC001573753738 948720851 /nfs/dbraw/zinc/72/08/51/948720851.db2.gz XPUPNXJPCHEIIA-MUYACECFSA-N 0 1 384.469 0.932 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)n1cccn1 ZINC001573753738 948720858 /nfs/dbraw/zinc/72/08/58/948720858.db2.gz XPUPNXJPCHEIIA-MUYACECFSA-N 0 1 384.469 0.932 20 0 GCADMN CC(C)c1ccc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)nc1 ZINC001574416160 948745137 /nfs/dbraw/zinc/74/51/37/948745137.db2.gz PZUBLHAUFLRZBO-UHFFFAOYSA-N 0 1 379.428 0.972 20 0 GCADMN C[C@H](C(N)=O)N1CCC2(C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573755524 948770095 /nfs/dbraw/zinc/77/00/95/948770095.db2.gz RFJWVKHBBVJQKH-VXGBXAGGSA-N 0 1 386.460 0.385 20 0 GCADMN C[C@H](CNC(=O)CCc1cc(F)ccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574915906 948774345 /nfs/dbraw/zinc/77/43/45/948774345.db2.gz YZWFLRFBQRFAKD-SNVBAGLBSA-N 0 1 388.382 0.906 20 0 GCADMN CC(C)c1cccc(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001574418479 948777020 /nfs/dbraw/zinc/77/70/20/948777020.db2.gz WWVZTDLRLUMANK-UHFFFAOYSA-N 0 1 379.428 0.972 20 0 GCADMN CC(F)(F)CC(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001575224303 948780950 /nfs/dbraw/zinc/78/09/50/948780950.db2.gz MEJCWKAIWUAROK-NXEZZACHSA-N 0 1 378.387 0.963 20 0 GCADMN C[C@H](CNC(=O)CCc1cn(C)nn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574916643 948781697 /nfs/dbraw/zinc/78/16/97/948781697.db2.gz GLUKTCMWMVYTTD-LLVKDONJSA-N 0 1 387.423 0.361 20 0 GCADMN C[C@@H](CNC(=O)CCc1cn(C)nn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574916644 948783084 /nfs/dbraw/zinc/78/30/84/948783084.db2.gz GLUKTCMWMVYTTD-NSHDSACASA-N 0 1 387.423 0.361 20 0 GCADMN C[C@H](C(=O)Nc1ncc(F)cc1Br)n1cnc(-c2nn[nH]n2)n1 ZINC001573756138 948796953 /nfs/dbraw/zinc/79/69/53/948796953.db2.gz XTJWBYGJXDTPQG-RXMQYKEDSA-N 0 1 382.157 0.955 20 0 GCADMN CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575225179 948802667 /nfs/dbraw/zinc/80/26/67/948802667.db2.gz XNOODYYDXYADEC-JTQLQIEISA-N 0 1 382.375 0.153 20 0 GCADMN CC(C)[C@@H](F)C(=O)N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O ZINC001574081322 948829010 /nfs/dbraw/zinc/82/90/10/948829010.db2.gz RZEOJRRPWCYXNM-GJMOJQLCSA-N 0 1 389.844 0.636 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573762293 948852164 /nfs/dbraw/zinc/85/21/64/948852164.db2.gz RVIRUOXKPTZNBB-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573762293 948852182 /nfs/dbraw/zinc/85/21/82/948852182.db2.gz RVIRUOXKPTZNBB-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)c1nc(CN2CCC[C@@H]2CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 ZINC001574425667 948878032 /nfs/dbraw/zinc/87/80/32/948878032.db2.gz JTPBTVRYYHIKCO-LLVKDONJSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1nc(CN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C2CC2)n[nH]1 ZINC001574425718 948881549 /nfs/dbraw/zinc/88/15/49/948881549.db2.gz MCNDUXQYFUHOKQ-UHFFFAOYSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001573764634 948888951 /nfs/dbraw/zinc/88/89/51/948888951.db2.gz PGPDNSQILJKRCU-CYBMUJFWSA-N 0 1 385.476 0.356 20 0 GCADMN CC(C)c1nc(CCNS(=O)(=O)c2cccnc2-c2nn[nH]n2)n(C)n1 ZINC001574426923 948894635 /nfs/dbraw/zinc/89/46/35/948894635.db2.gz WSRGFIGLHRQTNZ-UHFFFAOYSA-N 0 1 377.434 0.035 20 0 GCADMN CC(F)(F)CC(=O)NC[C@@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575234228 948896091 /nfs/dbraw/zinc/89/60/91/948896091.db2.gz QBRVOTWBJOXQMR-RXMQYKEDSA-N 0 1 381.796 0.911 20 0 GCADMN CC(C)(C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573765356 948905493 /nfs/dbraw/zinc/90/54/93/948905493.db2.gz ZKXRGYPYVSSHHI-UHFFFAOYSA-N 0 1 386.460 0.280 20 0 GCADMN CC(C)(C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573765447 948907942 /nfs/dbraw/zinc/90/79/42/948907942.db2.gz GHZGKTGWCKBHMU-CYBMUJFWSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)(C(=O)N1CCCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[NH+]1CCCC1 ZINC001573765534 948914137 /nfs/dbraw/zinc/91/41/37/948914137.db2.gz MFJIRUUCDHKSFD-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)c1ncncc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574431803 948925574 /nfs/dbraw/zinc/92/55/74/948925574.db2.gz BRPCFNCKAIQVDY-DGCLKSJQSA-N 0 1 394.443 0.565 20 0 GCADMN CC(C)c1ncncc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574431777 948926396 /nfs/dbraw/zinc/92/63/96/948926396.db2.gz BJOICPSYMFWWAC-LLVKDONJSA-N 0 1 382.432 0.565 20 0 GCADMN CC(C)(C(=O)N[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573771687 948945648 /nfs/dbraw/zinc/94/56/48/948945648.db2.gz KXZJARHONZBGIQ-AWEZNQCLSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574432952 948945763 /nfs/dbraw/zinc/94/57/63/948945763.db2.gz QHGYIDDQZPGKRQ-TXEJJXNPSA-N 0 1 379.428 0.970 20 0 GCADMN CC(F)(F)CCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001575239112 948961405 /nfs/dbraw/zinc/96/14/05/948961405.db2.gz QSKFWCOCXNMXRV-KGLIPLIRSA-N 0 1 380.399 0.963 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433758 948963647 /nfs/dbraw/zinc/96/36/47/948963647.db2.gz PILIERLOPSJSCB-GHMZBOCLSA-N 0 1 384.448 0.554 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433760 948964498 /nfs/dbraw/zinc/96/44/98/948964498.db2.gz PILIERLOPSJSCB-QWRGUYRKSA-N 0 1 384.448 0.554 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433824 948966786 /nfs/dbraw/zinc/96/67/86/948966786.db2.gz RRBRRLXXBIIXFT-NSHDSACASA-N 0 1 384.448 0.556 20 0 GCADMN C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574688811 948971072 /nfs/dbraw/zinc/97/10/72/948971072.db2.gz ZOZUGWSRVWKDNU-UONOGXRCSA-N 0 1 388.476 0.537 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCC1=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926045 948983593 /nfs/dbraw/zinc/98/35/93/948983593.db2.gz GZGUDLLRLCIVLP-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCC1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926045 948983606 /nfs/dbraw/zinc/98/36/06/948983606.db2.gz GZGUDLLRLCIVLP-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C(F)F ZINC001573773367 948983958 /nfs/dbraw/zinc/98/39/58/948983958.db2.gz LUEVRAYQGVMBGT-BDAKNGLRSA-N 0 1 382.375 0.004 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574926191 948989436 /nfs/dbraw/zinc/98/94/36/948989436.db2.gz KIJKGFSYTGEBJY-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574926191 948989444 /nfs/dbraw/zinc/98/94/44/948989444.db2.gz KIJKGFSYTGEBJY-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN CC(C)(C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[NH+]1CCCC1 ZINC001573773641 948989452 /nfs/dbraw/zinc/98/94/52/948989452.db2.gz OHQAEKJMRYEILQ-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574926304 948993614 /nfs/dbraw/zinc/99/36/14/948993614.db2.gz NEXXJRKSAAPAPO-CYBMUJFWSA-N 0 1 381.444 0.734 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574926352 948999389 /nfs/dbraw/zinc/99/93/89/948999389.db2.gz OHBCOWUIMQLZAO-GFCCVEGCSA-N 0 1 389.435 0.613 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1cnc(-c2nn[n-]n2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573774093 948999637 /nfs/dbraw/zinc/99/96/37/948999637.db2.gz KBKQWQWELADBPO-ZDUSSCGKSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)Oc1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575501377 949010340 /nfs/dbraw/zinc/01/03/40/949010340.db2.gz HIJWLWCCKCFPJM-RYUDHWBXSA-N 0 1 383.416 0.460 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575501403 949011367 /nfs/dbraw/zinc/01/13/67/949011367.db2.gz HMDQOARYYSOWLX-VXGBXAGGSA-N 0 1 383.416 0.200 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001575501427 949012570 /nfs/dbraw/zinc/01/25/70/949012570.db2.gz HTDFBPSYJMPIMI-LBPRGKRZSA-N 0 1 380.412 0.607 20 0 GCADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCCO1 ZINC001573774820 949023436 /nfs/dbraw/zinc/02/34/36/949023436.db2.gz WYHIRKJFOXWJAB-SWLSCSKDSA-N 0 1 389.460 0.168 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCC1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574926924 949029272 /nfs/dbraw/zinc/02/92/72/949029272.db2.gz ZTWSHDLBBXRUME-NSHDSACASA-N 0 1 378.868 0.952 20 0 GCADMN CC(C)(C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573775052 949030800 /nfs/dbraw/zinc/03/08/00/949030800.db2.gz SQQSROLNEHBBTD-CYBMUJFWSA-N 0 1 388.476 0.574 20 0 GCADMN C[C@H](CN(C)C(=O)C(C)(C)[C@@H]1CCCCO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574692970 949047153 /nfs/dbraw/zinc/04/71/53/949047153.db2.gz FFCVZLCJLALCAX-OLZOCXBDSA-N 0 1 388.476 0.933 20 0 GCADMN CC(C)(C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573778999 949049777 /nfs/dbraw/zinc/04/97/77/949049777.db2.gz BYLKGJLTPCZYGU-HNNXBMFYSA-N 0 1 382.375 0.005 20 0 GCADMN CC(C)c1occc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574441454 949059876 /nfs/dbraw/zinc/05/98/76/949059876.db2.gz LCLURMQPPSYSDA-NSHDSACASA-N 0 1 386.416 0.340 20 0 GCADMN CC(C)[C@H]1C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001574092605 949069247 /nfs/dbraw/zinc/06/92/47/949069247.db2.gz OYAVFQWPGHNFHH-OLZOCXBDSA-N 0 1 386.460 0.448 20 0 GCADMN C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574694346 949075494 /nfs/dbraw/zinc/07/54/94/949075494.db2.gz NUTGBXLMIGEQOL-CYBMUJFWSA-N 0 1 387.492 0.602 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575504784 949087024 /nfs/dbraw/zinc/08/70/24/949087024.db2.gz XVTJIMHEBQLLRA-GFCCVEGCSA-N 0 1 383.416 0.202 20 0 GCADMN C[C@@H](CNC(=O)COC[C@@H]1CCCO1)CNc1ccncc1-c1nn[nH]n1 ZINC001574929264 949089184 /nfs/dbraw/zinc/08/91/84/949089184.db2.gz BQUCEDXDQKCNSL-OLZOCXBDSA-N 0 1 375.433 0.043 20 0 GCADMN C[C@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001575249567 949101990 /nfs/dbraw/zinc/10/19/90/949101990.db2.gz ZBDSIHKRJRSQCZ-NSHDSACASA-N 0 1 386.460 0.295 20 0 GCADMN C[C@@H](CNC(=O)CO[C@H]1CCOC1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574930234 949106429 /nfs/dbraw/zinc/10/64/29/949106429.db2.gz KEFSLJTZIDBDDK-JSGCOSHPSA-N 0 1 392.435 0.748 20 0 GCADMN CC(C)c1nocc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574443431 949107110 /nfs/dbraw/zinc/10/71/10/949107110.db2.gz YEZQHLBJRHTLPO-LLVKDONJSA-N 0 1 383.416 0.907 20 0 GCADMN C[C@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574931100 949113352 /nfs/dbraw/zinc/11/33/52/949113352.db2.gz NLSJWLHSGXFTSY-CHWSQXEVSA-N 0 1 375.433 0.398 20 0 GCADMN C[C@H](C(=O)N[C@@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cncn1 ZINC001575251019 949124585 /nfs/dbraw/zinc/12/45/85/949124585.db2.gz KBYNCUCAHHHQIS-QWHCGFSZSA-N 0 1 381.444 0.656 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573782683 949126613 /nfs/dbraw/zinc/12/66/13/949126613.db2.gz HERXQVCUUYKLRK-JOCQHMNTSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)[C@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001574094116 949127812 /nfs/dbraw/zinc/12/78/12/949127812.db2.gz XLZFATUVHHEERZ-CHWSQXEVSA-N 0 1 386.460 0.448 20 0 GCADMN C[C@H](CNC(=O)CO[C@@H]1CCOC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574932063 949128909 /nfs/dbraw/zinc/12/89/09/949128909.db2.gz UNZHKGQIWLJIKK-BXUZGUMPSA-N 0 1 378.408 0.406 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573782780 949133105 /nfs/dbraw/zinc/13/31/05/949133105.db2.gz JLVAEPWYGCRXRJ-JOCQHMNTSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573782780 949133119 /nfs/dbraw/zinc/13/31/19/949133119.db2.gz JLVAEPWYGCRXRJ-JOCQHMNTSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCC1 ZINC001573782940 949138517 /nfs/dbraw/zinc/13/85/17/949138517.db2.gz ZIGAOIVRJKSTAH-ZDUSSCGKSA-N 0 1 386.460 0.804 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCC1 ZINC001573786855 949151510 /nfs/dbraw/zinc/15/15/10/949151510.db2.gz GCFXXHCAUDRRHP-BETUJISGSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](CC(N)=O)C(=O)N(C)C[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574697560 949154122 /nfs/dbraw/zinc/15/41/22/949154122.db2.gz AYUKWEGOLMUDIZ-RQJHMYQMSA-N 0 1 386.869 0.747 20 0 GCADMN C[C@@H](CNC(=O)COCc1nccn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574934389 949160145 /nfs/dbraw/zinc/16/01/45/949160145.db2.gz GZPRHKUIPABASE-LBPRGKRZSA-N 0 1 385.432 0.153 20 0 GCADMN CC(C)c1ocnc1C(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574447482 949162288 /nfs/dbraw/zinc/16/22/88/949162288.db2.gz PPXLRBQTHYOWFF-NSHDSACASA-N 0 1 383.416 0.811 20 0 GCADMN C[C@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574934494 949163796 /nfs/dbraw/zinc/16/37/96/949163796.db2.gz JMVMFLPMPALZFZ-LLVKDONJSA-N 0 1 390.473 0.473 20 0 GCADMN C[C@H](CNC(=O)COCc1ccnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574934494 949163810 /nfs/dbraw/zinc/16/38/10/949163810.db2.gz JMVMFLPMPALZFZ-LLVKDONJSA-N 0 1 390.473 0.473 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCC1 ZINC001573787087 949164077 /nfs/dbraw/zinc/16/40/77/949164077.db2.gz NKJGFQFMHSROID-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](CNC(=O)COCc1ccnn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574934588 949167739 /nfs/dbraw/zinc/16/77/39/949167739.db2.gz LMBPMQQXYUEESV-GFCCVEGCSA-N 0 1 385.432 0.153 20 0 GCADMN C[C@@H](CNC(=O)COCc1ccnn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574934589 949167787 /nfs/dbraw/zinc/16/77/87/949167787.db2.gz LMBPMQQXYUEESV-LBPRGKRZSA-N 0 1 385.432 0.153 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)CN1CCOCC1)Nc1ncccc1-c1nn[nH]n1 ZINC001574698160 949180672 /nfs/dbraw/zinc/18/06/72/949180672.db2.gz GSQLRPXRZQVLEK-ZIAGYGMSSA-N 0 1 388.476 0.489 20 0 GCADMN C[C@@H](c1cnccn1)N1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001575515073 949180762 /nfs/dbraw/zinc/18/07/62/949180762.db2.gz FWNUPADYUNXGHT-ZDEQEGDKSA-N 0 1 379.428 0.654 20 0 GCADMN C[C@H](CNC(=O)COc1ccc(Cl)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574934957 949187179 /nfs/dbraw/zinc/18/71/79/949187179.db2.gz VXVOOSSJZOWYBZ-SNVBAGLBSA-N 0 1 388.819 0.728 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2ccccc2O)CC1 ZINC001575853255 949208833 /nfs/dbraw/zinc/20/88/33/949208833.db2.gz MRDYQXCTQMAUKL-UHFFFAOYSA-N 0 1 380.412 0.891 20 0 GCADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)CCCCC(N)=O)CC1 ZINC001575853316 949210938 /nfs/dbraw/zinc/21/09/38/949210938.db2.gz NWXVWKPNCQXJFJ-UHFFFAOYSA-N 0 1 386.460 0.522 20 0 GCADMN C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575254699 949211853 /nfs/dbraw/zinc/21/18/53/949211853.db2.gz ODJHBLMWFLMJLO-NWDGAFQWSA-N 0 1 379.428 0.511 20 0 GCADMN CC(C)CC(=O)N1C[C@H](C)O[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574102894 949213596 /nfs/dbraw/zinc/21/35/96/949213596.db2.gz FSUCTUXCPAVGGK-SCLBCKFNSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574698899 949214778 /nfs/dbraw/zinc/21/47/78/949214778.db2.gz PXIWNWPSMNDVDI-NEPJUHHUSA-N 0 1 388.476 0.493 20 0 GCADMN C[C@@H](NC(=O)C1(c2cccnc2)CC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575254929 949215717 /nfs/dbraw/zinc/21/57/17/949215717.db2.gz ODJHBLMWFLMJLO-VXGBXAGGSA-N 0 1 379.428 0.511 20 0 GCADMN CC(C)c1oncc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001574451214 949219910 /nfs/dbraw/zinc/21/99/10/949219910.db2.gz HJZFIPZHZFTNFS-PJXYFTJBSA-N 0 1 381.400 0.633 20 0 GCADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@H]2C[C@]23CCOC3)CC1 ZINC001575853893 949226278 /nfs/dbraw/zinc/22/62/78/949226278.db2.gz OIHUSQFLDHCJGP-KUHUBIRLSA-N 0 1 383.456 0.903 20 0 GCADMN CC(C)c1oncc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574451303 949227552 /nfs/dbraw/zinc/22/75/52/949227552.db2.gz LODFEFJZQYMWTA-SNVBAGLBSA-N 0 1 391.457 0.920 20 0 GCADMN CC(C)c1oncc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574451303 949227568 /nfs/dbraw/zinc/22/75/68/949227568.db2.gz LODFEFJZQYMWTA-SNVBAGLBSA-N 0 1 391.457 0.920 20 0 GCADMN CC(C)c1oncc1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574451522 949232678 /nfs/dbraw/zinc/23/26/78/949232678.db2.gz QUOVHMHIYQLZNU-LBPRGKRZSA-N 0 1 383.416 0.811 20 0 GCADMN C[C@@H]1CCC[C@@H](OCC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001576151903 949236797 /nfs/dbraw/zinc/23/67/97/949236797.db2.gz GRJCJCUGRHZMKB-AAVRWANBSA-N 0 1 386.460 0.733 20 0 GCADMN CC(C)c1scnc1C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574451675 949238338 /nfs/dbraw/zinc/23/83/38/949238338.db2.gz TXVMHOOBPSDARH-SNVBAGLBSA-N 0 1 388.457 0.466 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2csc(=O)[nH]2)CC1 ZINC001575854660 949240350 /nfs/dbraw/zinc/24/03/50/949240350.db2.gz ZIHLXHANZCMCJE-UHFFFAOYSA-N 0 1 387.429 0.348 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575256164 949249147 /nfs/dbraw/zinc/24/91/47/949249147.db2.gz TYSVDRCIFBOIIT-QWHCGFSZSA-N 0 1 385.476 0.260 20 0 GCADMN CC(C)c1scnc1C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574451788 949249135 /nfs/dbraw/zinc/24/91/35/949249135.db2.gz YTOQLYJGCJGBQS-JTQLQIEISA-N 0 1 388.457 0.466 20 0 GCADMN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCCNc1ccncc1-c1nn[nH]n1 ZINC001573792615 949254648 /nfs/dbraw/zinc/25/46/48/949254648.db2.gz ROTMZZTVXYHWKQ-CQSZACIVSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](CNC(=O)Cc1ccc2c(c1)NC(=O)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001574940699 949274690 /nfs/dbraw/zinc/27/46/90/949274690.db2.gz IHMFXVQYJVZVOW-LLVKDONJSA-N 0 1 392.423 0.338 20 0 GCADMN CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001574453157 949279420 /nfs/dbraw/zinc/27/94/20/949279420.db2.gz XLUDJJUXUVCIHM-GFCCVEGCSA-N 0 1 390.473 0.586 20 0 GCADMN CC(C)n1cc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001574453157 949279440 /nfs/dbraw/zinc/27/94/40/949279440.db2.gz XLUDJJUXUVCIHM-GFCCVEGCSA-N 0 1 390.473 0.586 20 0 GCADMN C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575257650 949281515 /nfs/dbraw/zinc/28/15/15/949281515.db2.gz BQBMZNMCBOIAOF-OLZOCXBDSA-N 0 1 385.428 0.871 20 0 GCADMN CC(C)(C)C(=O)C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573793503 949298097 /nfs/dbraw/zinc/29/80/97/949298097.db2.gz SHUHNVDPSDYWSN-LBPRGKRZSA-N 0 1 387.444 0.328 20 0 GCADMN CC(C)n1cc(CN[C@H]2C[C@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)nn1 ZINC001574455171 949299606 /nfs/dbraw/zinc/29/96/06/949299606.db2.gz MECVJVRNGQQLKY-AULYBMBSSA-N 0 1 384.448 0.665 20 0 GCADMN CC(C)n1ccc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001574457257 949319426 /nfs/dbraw/zinc/31/94/26/949319426.db2.gz DWPQROLAVAJHLD-UHFFFAOYSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575259152 949320336 /nfs/dbraw/zinc/32/03/36/949320336.db2.gz MRKDAOUEVXCCKM-RYUDHWBXSA-N 0 1 386.416 0.266 20 0 GCADMN CC(C)n1ccc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574458105 949339083 /nfs/dbraw/zinc/33/90/83/949339083.db2.gz PDOFPPKKZQVKPC-LBPRGKRZSA-N 0 1 382.432 0.573 20 0 GCADMN CC(C)CC(=O)N1CCOC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001574110166 949352694 /nfs/dbraw/zinc/35/26/94/949352694.db2.gz TVHFYFYMELVYJR-UHFFFAOYSA-N 0 1 386.460 0.901 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573798756 949353049 /nfs/dbraw/zinc/35/30/49/949353049.db2.gz DWYHBRNYZBKIPC-NSHDSACASA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001574703882 949357920 /nfs/dbraw/zinc/35/79/20/949357920.db2.gz HADSAHHNMXZNOQ-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001574703882 949357945 /nfs/dbraw/zinc/35/79/45/949357945.db2.gz HADSAHHNMXZNOQ-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](NC(=O)C1=CCOCC1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260803 949362486 /nfs/dbraw/zinc/36/24/86/949362486.db2.gz XQRPXMGORHOFHR-TZMCWYRMSA-N 0 1 384.444 0.725 20 0 GCADMN CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574460129 949365302 /nfs/dbraw/zinc/36/53/02/949365302.db2.gz PLHGDSXTVDZNSO-HDJSIYSDSA-N 0 1 381.444 0.763 20 0 GCADMN CC(C)n1ccc(CC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574459837 949366581 /nfs/dbraw/zinc/36/65/81/949366581.db2.gz MAXDDBBCWJUFJR-BETUJISGSA-N 0 1 382.432 0.158 20 0 GCADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cnon1 ZINC001576154827 949367245 /nfs/dbraw/zinc/36/72/45/949367245.db2.gz FMVACIAFZGGPLB-QLJPJBMISA-N 0 1 384.404 0.252 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573800528 949396694 /nfs/dbraw/zinc/39/66/94/949396694.db2.gz YETCAGAGFQLUEP-UHFFFAOYSA-N 0 1 386.460 0.509 20 0 GCADMN CC(C)(C)C(=O)NC1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573800585 949401022 /nfs/dbraw/zinc/40/10/22/949401022.db2.gz ZBNUDJACBDPRRD-UHFFFAOYSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574945100 949409902 /nfs/dbraw/zinc/40/99/02/949409902.db2.gz KPSDIRQKQSZHGX-SNVBAGLBSA-N 0 1 382.432 0.418 20 0 GCADMN CC(C)n1cnc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574464345 949413260 /nfs/dbraw/zinc/41/32/60/949413260.db2.gz LQQPHIQUQZIBGM-GFCCVEGCSA-N 0 1 382.432 0.573 20 0 GCADMN CC(C)CC(=O)NC1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574116615 949430964 /nfs/dbraw/zinc/43/09/64/949430964.db2.gz BPBRDWVBEMVLEE-UHFFFAOYSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@]1(C(=O)N2CCC(CCNc3ccnc(-c4nn[nH]n4)n3)CC2)CCOC1 ZINC001575534593 949433693 /nfs/dbraw/zinc/43/36/93/949433693.db2.gz OQXABEJVGCSIBV-GOSISDBHSA-N 0 1 386.460 0.546 20 0 GCADMN CC(C)(C)C(=O)NCCN1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573803850 949451118 /nfs/dbraw/zinc/45/11/18/949451118.db2.gz URSLXNCXDYXRFS-UHFFFAOYSA-N 0 1 388.476 0.551 20 0 GCADMN CC(C)n1nccc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574467979 949451493 /nfs/dbraw/zinc/45/14/93/949451493.db2.gz BXBPKAFHCITJSG-GFCCVEGCSA-N 0 1 382.432 0.430 20 0 GCADMN CC(C)n1nccc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574468063 949456600 /nfs/dbraw/zinc/45/66/00/949456600.db2.gz GSWYIHZTWBPBSX-UHFFFAOYSA-N 0 1 382.432 0.571 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574468564 949466033 /nfs/dbraw/zinc/46/60/33/949466033.db2.gz PUCNBKAHQFSTKK-HAQNSBGRSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574468571 949467567 /nfs/dbraw/zinc/46/75/67/949467567.db2.gz QCSGJRTWKGELDT-BZPMIXESSA-N 0 1 394.443 0.974 20 0 GCADMN CC(C)n1ncc(C(=O)N[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c1Cl ZINC001574468575 949468694 /nfs/dbraw/zinc/46/86/94/949468694.db2.gz QDUMHPLQPPPEKD-SECBINFHSA-N 0 1 390.839 0.740 20 0 GCADMN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574948822 949473115 /nfs/dbraw/zinc/47/31/15/949473115.db2.gz MWCLUPOJTYGJLG-JTQLQIEISA-N 0 1 387.473 0.692 20 0 GCADMN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574948822 949473126 /nfs/dbraw/zinc/47/31/26/949473126.db2.gz MWCLUPOJTYGJLG-JTQLQIEISA-N 0 1 387.473 0.692 20 0 GCADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cnco1 ZINC001576157393 949482323 /nfs/dbraw/zinc/48/23/23/949482323.db2.gz QCJWGMWKPZNYFR-GTNSWQLSSA-N 0 1 383.416 0.857 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575869936 949482882 /nfs/dbraw/zinc/48/28/82/949482882.db2.gz SRXLCWMPYNKWLY-CHWSQXEVSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cnco1 ZINC001576157396 949483350 /nfs/dbraw/zinc/48/33/50/949483350.db2.gz QCJWGMWKPZNYFR-PIGZYNQJSA-N 0 1 383.416 0.857 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574117967 949485861 /nfs/dbraw/zinc/48/58/61/949485861.db2.gz CAAJHNPHWHKHEV-CYBMUJFWSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccncc1-c1nn[nH]n1 ZINC001574708232 949487285 /nfs/dbraw/zinc/48/72/85/949487285.db2.gz UMFVUOPCLLAFCO-GHMZBOCLSA-N 0 1 382.432 0.181 20 0 GCADMN CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574118953 949493573 /nfs/dbraw/zinc/49/35/73/949493573.db2.gz HBFUKWQMDUBHLV-LBPRGKRZSA-N 0 1 389.464 0.150 20 0 GCADMN C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574949401 949493843 /nfs/dbraw/zinc/49/38/43/949493843.db2.gz VRIPJGMUUVETOO-VIFPVBQESA-N 0 1 376.812 0.148 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574949563 949501531 /nfs/dbraw/zinc/50/15/31/949501531.db2.gz XWMJZNIULUWBNZ-LLVKDONJSA-N 0 1 382.432 0.372 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574708873 949504191 /nfs/dbraw/zinc/50/41/91/949504191.db2.gz XZFBBRDWLTUBJU-GHMZBOCLSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574708879 949504261 /nfs/dbraw/zinc/50/42/61/949504261.db2.gz XZFBBRDWLTUBJU-WDEREUQCSA-N 0 1 382.432 0.181 20 0 GCADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574949763 949510121 /nfs/dbraw/zinc/51/01/21/949510121.db2.gz CPQAFXQBGZJYJQ-WFASDCNBSA-N 0 1 386.460 0.247 20 0 GCADMN C[C@H]1CCCC[C@]1(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC(N)=O ZINC001576158991 949511990 /nfs/dbraw/zinc/51/19/90/949511990.db2.gz VORZZUSKCDMUME-APPDUMDISA-N 0 1 391.501 0.958 20 0 GCADMN C[C@H]1CCCC[C@]1(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC(N)=O ZINC001576158991 949512004 /nfs/dbraw/zinc/51/20/04/949512004.db2.gz VORZZUSKCDMUME-APPDUMDISA-N 0 1 391.501 0.958 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@@H](C)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574121450 949515276 /nfs/dbraw/zinc/51/52/76/949515276.db2.gz QZXQWZMAYCOJMC-ZDUSSCGKSA-N 0 1 388.476 0.755 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574121924 949516422 /nfs/dbraw/zinc/51/64/22/949516422.db2.gz RVLXJXWQLQWGNO-CHWSQXEVSA-N 0 1 388.476 0.541 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574121930 949516882 /nfs/dbraw/zinc/51/68/82/949516882.db2.gz RVLXJXWQLQWGNO-QWHCGFSZSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@]1(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CCOC1 ZINC001575538215 949517437 /nfs/dbraw/zinc/51/74/37/949517437.db2.gz FBSBWAZKDHNUED-ZWKOTPCHSA-N 0 1 384.444 0.512 20 0 GCADMN CC(C)n1nccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001574470876 949519442 /nfs/dbraw/zinc/51/94/42/949519442.db2.gz WFGVVHVTSZJOER-VXGBXAGGSA-N 0 1 382.432 0.689 20 0 GCADMN CC(C)n1nccc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001574471064 949523326 /nfs/dbraw/zinc/52/33/26/949523326.db2.gz ZGDVEDOUSDKBAF-NEPJUHHUSA-N 0 1 382.432 0.831 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574471087 949526924 /nfs/dbraw/zinc/52/69/24/949526924.db2.gz IVHOKZNLMCRRGR-QWRGUYRKSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871967 949528924 /nfs/dbraw/zinc/52/89/24/949528924.db2.gz DFTZXEGANKSEIT-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871967 949528945 /nfs/dbraw/zinc/52/89/45/949528945.db2.gz DFTZXEGANKSEIT-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC1=O ZINC001575538834 949530617 /nfs/dbraw/zinc/53/06/17/949530617.db2.gz JQPJHAKKIPMCIB-GTNSWQLSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC1=O ZINC001575538834 949530636 /nfs/dbraw/zinc/53/06/36/949530636.db2.gz JQPJHAKKIPMCIB-GTNSWQLSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC1=O ZINC001575538832 949532531 /nfs/dbraw/zinc/53/25/31/949532531.db2.gz JQPJHAKKIPMCIB-APPDUMDISA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC1=O ZINC001575538832 949532546 /nfs/dbraw/zinc/53/25/46/949532546.db2.gz JQPJHAKKIPMCIB-APPDUMDISA-N 0 1 389.485 0.535 20 0 GCADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574950252 949533877 /nfs/dbraw/zinc/53/38/77/949533877.db2.gz NATHTOWHNPFIDF-AAEUAGOBSA-N 0 1 391.501 0.922 20 0 GCADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574950252 949533889 /nfs/dbraw/zinc/53/38/89/949533889.db2.gz NATHTOWHNPFIDF-AAEUAGOBSA-N 0 1 391.501 0.922 20 0 GCADMN CC(C)n1ncnc1CNC1CC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574471468 949538654 /nfs/dbraw/zinc/53/86/54/949538654.db2.gz MVTUIGJYPUDQJZ-UHFFFAOYSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163849 949540399 /nfs/dbraw/zinc/54/03/99/949540399.db2.gz CWKFQLCOYSEVTF-RYUDHWBXSA-N 0 1 386.416 0.006 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163845 949540679 /nfs/dbraw/zinc/54/06/79/949540679.db2.gz CWKFQLCOYSEVTF-NEPJUHHUSA-N 0 1 386.416 0.006 20 0 GCADMN CC(C)n1ncnc1CNC[C@H]1C[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574472449 949554383 /nfs/dbraw/zinc/55/43/83/949554383.db2.gz VAKPBUBQMWHDBS-AULYBMBSSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269629 949557070 /nfs/dbraw/zinc/55/70/70/949557070.db2.gz VZXFWHNBGDEXRH-CMPLNLGQSA-N 0 1 389.485 0.533 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575872842 949558802 /nfs/dbraw/zinc/55/88/02/949558802.db2.gz LPDHSPRWCMPKOG-STQMWFEESA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H](NC(=O)CCCC1CCOCC1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575270175 949578031 /nfs/dbraw/zinc/57/80/31/949578031.db2.gz BQCWABSGRIVGOZ-CHWSQXEVSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCN(C)C1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574712400 949581115 /nfs/dbraw/zinc/58/11/15/949581115.db2.gz SAYGYMZUSABXIE-BXUZGUMPSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166677 949588766 /nfs/dbraw/zinc/58/87/66/949588766.db2.gz NISBLUXKQZNCBJ-TZMCWYRMSA-N 0 1 384.444 0.812 20 0 GCADMN CC(C)C[C@H](C(=O)N[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125559 949589301 /nfs/dbraw/zinc/58/93/01/949589301.db2.gz STVVWVRHLNOBJH-CHWSQXEVSA-N 0 1 384.448 0.479 20 0 GCADMN CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125854 949595411 /nfs/dbraw/zinc/59/54/11/949595411.db2.gz UJRBTRIFDXZZFR-STQMWFEESA-N 0 1 384.448 0.479 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573811315 949597168 /nfs/dbraw/zinc/59/71/68/949597168.db2.gz JYHMMABLELLBDU-JQWIXIFHSA-N 0 1 392.489 0.230 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573811315 949597183 /nfs/dbraw/zinc/59/71/83/949597183.db2.gz JYHMMABLELLBDU-JQWIXIFHSA-N 0 1 392.489 0.230 20 0 GCADMN C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575270731 949599446 /nfs/dbraw/zinc/59/94/46/949599446.db2.gz FTAGEUCTMUBRAQ-NEPJUHHUSA-N 0 1 387.448 0.033 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270904 949604412 /nfs/dbraw/zinc/60/44/12/949604412.db2.gz HBYLLXAEORVCDG-KBPBESRZSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270904 949604426 /nfs/dbraw/zinc/60/44/26/949604426.db2.gz HBYLLXAEORVCDG-KBPBESRZSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874317 949608089 /nfs/dbraw/zinc/60/80/89/949608089.db2.gz FXNNJZNWOVNYAF-RISCZKNCSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874317 949608102 /nfs/dbraw/zinc/60/81/02/949608102.db2.gz FXNNJZNWOVNYAF-RISCZKNCSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575271081 949610719 /nfs/dbraw/zinc/61/07/19/949610719.db2.gz IBDSYIDXTNFEAC-VXGBXAGGSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574476730 949614139 /nfs/dbraw/zinc/61/41/39/949614139.db2.gz JHYKSHNJUSXKPV-LBPRGKRZSA-N 0 1 384.448 0.479 20 0 GCADMN C[C@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574476715 949615603 /nfs/dbraw/zinc/61/56/03/949615603.db2.gz GMWGEZDECDYGBW-SNVBAGLBSA-N 0 1 387.366 0.505 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574476688 949616477 /nfs/dbraw/zinc/61/64/77/949616477.db2.gz JEUKNRFQKPIPHP-UWVGGRQHSA-N 0 1 387.366 0.503 20 0 GCADMN C[C@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574476754 949619112 /nfs/dbraw/zinc/61/91/12/949619112.db2.gz JMAFOTPFCZMHJV-OLZOCXBDSA-N 0 1 382.432 0.542 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574476756 949621248 /nfs/dbraw/zinc/62/12/48/949621248.db2.gz JMAFOTPFCZMHJV-STQMWFEESA-N 0 1 382.432 0.542 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1ncnn1 ZINC001573812658 949622115 /nfs/dbraw/zinc/62/21/15/949622115.db2.gz SPTSOFQDWXWGAJ-LBPRGKRZSA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1ncnn1 ZINC001573812658 949622133 /nfs/dbraw/zinc/62/21/33/949622133.db2.gz SPTSOFQDWXWGAJ-LBPRGKRZSA-N 0 1 390.477 0.235 20 0 GCADMN C[C@]1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCCOC1 ZINC001575547222 949623711 /nfs/dbraw/zinc/62/37/11/949623711.db2.gz WDRWADVNHGSHLK-ACJLOTCBSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@]1(C(=O)N2CCCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001575547314 949627247 /nfs/dbraw/zinc/62/72/47/949627247.db2.gz XGBRFPDQSKPLDS-FZKQIMNGSA-N 0 1 387.444 0.140 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575547556 949629974 /nfs/dbraw/zinc/62/99/74/949629974.db2.gz ZQQFQXOSRIUWIE-SGTLLEGYSA-N 0 1 384.444 0.003 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813335 949630905 /nfs/dbraw/zinc/63/09/05/949630905.db2.gz YPMAKIANVPAMKE-MDZLAQPJSA-N 0 1 391.501 0.670 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001573813335 949630918 /nfs/dbraw/zinc/63/09/18/949630918.db2.gz YPMAKIANVPAMKE-MDZLAQPJSA-N 0 1 391.501 0.670 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575875396 949632814 /nfs/dbraw/zinc/63/28/14/949632814.db2.gz WGRIXRMWKCVFRP-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575875396 949632825 /nfs/dbraw/zinc/63/28/25/949632825.db2.gz WGRIXRMWKCVFRP-QWHCGFSZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575875842 949637009 /nfs/dbraw/zinc/63/70/09/949637009.db2.gz WIIZXSKYHKBLKI-CHWSQXEVSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)CC(C)(C)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001574129321 949639202 /nfs/dbraw/zinc/63/92/02/949639202.db2.gz TYDSKMWAVIEJRO-QWHCGFSZSA-N 0 1 388.476 0.785 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876139 949643141 /nfs/dbraw/zinc/64/31/41/949643141.db2.gz WZOCBUUTFMMSCD-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876139 949643153 /nfs/dbraw/zinc/64/31/53/949643153.db2.gz WZOCBUUTFMMSCD-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCNC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715069 949643865 /nfs/dbraw/zinc/64/38/65/949643865.db2.gz AKIHXWMUWKTUBC-WCQYABFASA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCCCO1 ZINC001573814763 949647256 /nfs/dbraw/zinc/64/72/56/949647256.db2.gz FNKJHLKXIGDPDQ-STQMWFEESA-N 0 1 388.476 0.981 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168878 949652795 /nfs/dbraw/zinc/65/27/95/949652795.db2.gz CVBYMXOZMBITFF-AAEUAGOBSA-N 0 1 383.416 0.348 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168882 949652986 /nfs/dbraw/zinc/65/29/86/949652986.db2.gz CVBYMXOZMBITFF-DGCLKSJQSA-N 0 1 383.416 0.348 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCCc1ccccn1 ZINC001575272983 949654545 /nfs/dbraw/zinc/65/45/45/949654545.db2.gz UFJSVDNWULEPNH-OLZOCXBDSA-N 0 1 381.444 0.802 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001573816131 949669690 /nfs/dbraw/zinc/66/96/90/949669690.db2.gz OOMMJQPIEOMCRK-STQMWFEESA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575273789 949674755 /nfs/dbraw/zinc/67/47/55/949674755.db2.gz YBZZVVKNEDCZBG-UONOGXRCSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCCOC1 ZINC001575552138 949674907 /nfs/dbraw/zinc/67/49/07/949674907.db2.gz AEUGQEDANCVYKV-FHSNZYRGSA-N 0 1 384.444 0.368 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ccc(-c2nn[nH]n2)nc1 ZINC001575878206 949675020 /nfs/dbraw/zinc/67/50/20/949675020.db2.gz NWPOSHLGHXFHHA-FZMZJTMJSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574958516 949676901 /nfs/dbraw/zinc/67/69/01/949676901.db2.gz KOZSYHUNJXGEMA-MVWJERBFSA-N 0 1 383.416 0.298 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001573816726 949686272 /nfs/dbraw/zinc/68/62/72/949686272.db2.gz UYFMFEQZKQBLQU-KZULUSFZSA-N 0 1 388.476 0.573 20 0 GCADMN CC(C)N(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)C[C@@H](C)NC(N)=O ZINC001574478334 949702920 /nfs/dbraw/zinc/70/29/20/949702920.db2.gz WQBSHFSANVGRIQ-GFCCVEGCSA-N 0 1 389.464 0.382 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001573817709 949704474 /nfs/dbraw/zinc/70/44/74/949704474.db2.gz AJVRGRNZNWQMGB-SECBINFHSA-N 0 1 391.823 0.977 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCNC1=O ZINC001573817703 949705842 /nfs/dbraw/zinc/70/58/42/949705842.db2.gz AIVSCCMJPIBYML-RISCZKNCSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170048 949705750 /nfs/dbraw/zinc/70/57/50/949705750.db2.gz IWXUSKKNLZKTFI-CHWSQXEVSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170050 949706042 /nfs/dbraw/zinc/70/60/42/949706042.db2.gz IWXUSKKNLZKTFI-OLZOCXBDSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575880907 949707818 /nfs/dbraw/zinc/70/78/18/949707818.db2.gz VSISYDGIOXGWGR-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575880907 949707832 /nfs/dbraw/zinc/70/78/32/949707832.db2.gz VSISYDGIOXGWGR-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1CCCN(C(=O)CNC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001576170298 949711634 /nfs/dbraw/zinc/71/16/34/949711634.db2.gz KAVOTZWJONUBFF-GFCCVEGCSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H](C)NCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574716932 949716567 /nfs/dbraw/zinc/71/65/67/949716567.db2.gz RYSJYRUGZPOKIS-GHMZBOCLSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574959849 949718127 /nfs/dbraw/zinc/71/81/27/949718127.db2.gz VIBVTFJCANKUST-FPMFFAJLSA-N 0 1 379.428 0.796 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716954 949719944 /nfs/dbraw/zinc/71/99/44/949719944.db2.gz MSDPQJQZMXYHKW-VXGBXAGGSA-N 0 1 390.419 0.896 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576170523 949722816 /nfs/dbraw/zinc/72/28/16/949722816.db2.gz LXBZYHJGZUBUQI-WBMJQRKESA-N 0 1 382.428 0.953 20 0 GCADMN C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574478844 949723134 /nfs/dbraw/zinc/72/31/34/949723134.db2.gz BJTFICZQMDUDCO-JSGCOSHPSA-N 0 1 386.460 0.687 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574960787 949727417 /nfs/dbraw/zinc/72/74/17/949727417.db2.gz XSZFMOOQHHDHQU-KGYLQXTDSA-N 0 1 382.432 0.135 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001574479354 949733068 /nfs/dbraw/zinc/73/30/68/949733068.db2.gz DVCIEUXNGDEHGE-TZMCWYRMSA-N 0 1 381.444 0.624 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001575558020 949733202 /nfs/dbraw/zinc/73/32/02/949733202.db2.gz MRFPVJNYKVQNQU-LBPRGKRZSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717461 949735782 /nfs/dbraw/zinc/73/57/82/949735782.db2.gz VYZTWAMDWUQOAI-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717461 949735799 /nfs/dbraw/zinc/73/57/99/949735799.db2.gz VYZTWAMDWUQOAI-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001575558769 949740914 /nfs/dbraw/zinc/74/09/14/949740914.db2.gz RVMFXMMOUZHIAV-SGTLLEGYSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H]1[C@H](NC(=O)Cc2nnc[nH]2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575882000 949746472 /nfs/dbraw/zinc/74/64/72/949746472.db2.gz FDPCXIKONPRSTA-CMPLNLGQSA-N 0 1 385.407 0.840 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1COCCO1 ZINC001573819268 949749107 /nfs/dbraw/zinc/74/91/07/949749107.db2.gz SAAPCTRDBGBGHK-KGLIPLIRSA-N 0 1 375.433 0.042 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574963361 949750135 /nfs/dbraw/zinc/75/01/35/949750135.db2.gz ITNRZPCHPPAZIL-NKWVEPMBSA-N 0 1 384.853 0.419 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574480446 949754224 /nfs/dbraw/zinc/75/42/24/949754224.db2.gz ILYRGNXNANQZRU-TZMCWYRMSA-N 0 1 379.428 0.680 20 0 GCADMN CCCC[N@@H+](C)CCNC(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001589648270 949760685 /nfs/dbraw/zinc/76/06/85/949760685.db2.gz SJTWINIGCQDTAP-SFHVURJKSA-N 0 1 387.477 0.925 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCC(=O)NC1 ZINC001573820306 949763386 /nfs/dbraw/zinc/76/33/86/949763386.db2.gz XFTYUZPHABUJCO-FZMZJTMJSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCOC1 ZINC001575559714 949763992 /nfs/dbraw/zinc/76/39/92/949763992.db2.gz DUPCMXYUOOXKDD-WCMHJXIUSA-N 0 1 384.444 0.699 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574718325 949776776 /nfs/dbraw/zinc/77/67/76/949776776.db2.gz ZVTUNMKYNDIODY-FZMZJTMJSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574718324 949776917 /nfs/dbraw/zinc/77/69/17/949776917.db2.gz ZVTUNMKYNDIODY-BXUZGUMPSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574718326 949777277 /nfs/dbraw/zinc/77/72/77/949777277.db2.gz ZVTUNMKYNDIODY-RISCZKNCSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171828 949782184 /nfs/dbraw/zinc/78/21/84/949782184.db2.gz SZKKXQYKACNNEH-QWHCGFSZSA-N 0 1 382.432 0.014 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171797 949783205 /nfs/dbraw/zinc/78/32/05/949783205.db2.gz SLINXXXZEACZLB-JSGCOSHPSA-N 0 1 382.428 0.953 20 0 GCADMN C[C@@H](CN(C)C(=O)CCNC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574720572 949795896 /nfs/dbraw/zinc/79/58/96/949795896.db2.gz CVWAXQJMXVLSRM-LURJTMIESA-N 0 1 387.857 0.294 20 0 GCADMN C[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001576172286 949796650 /nfs/dbraw/zinc/79/66/50/949796650.db2.gz WCADSYMYDMSHLZ-NSHDSACASA-N 0 1 379.446 0.189 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481710 949796733 /nfs/dbraw/zinc/79/67/33/949796733.db2.gz UJCYZWFWDVMPOA-GHMZBOCLSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481710 949796752 /nfs/dbraw/zinc/79/67/52/949796752.db2.gz UJCYZWFWDVMPOA-GHMZBOCLSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575281283 949805605 /nfs/dbraw/zinc/80/56/05/949805605.db2.gz FGVAAECLQQIKGU-NEPJUHHUSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575281283 949805626 /nfs/dbraw/zinc/80/56/26/949805626.db2.gz FGVAAECLQQIKGU-NEPJUHHUSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481926 949810563 /nfs/dbraw/zinc/81/05/63/949810563.db2.gz XQKMRGRPOIUYCA-VHSXEESVSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574481926 949810575 /nfs/dbraw/zinc/81/05/75/949810575.db2.gz XQKMRGRPOIUYCA-VHSXEESVSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@@H](CN(C)C(=O)CCCc1ccccn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574721178 949811742 /nfs/dbraw/zinc/81/17/42/949811742.db2.gz JZWYFOHNTNZATR-ZDUSSCGKSA-N 0 1 381.444 0.755 20 0 GCADMN C[C@H]1CCCN(C(=O)Cn2cccn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576172568 949813264 /nfs/dbraw/zinc/81/32/64/949813264.db2.gz XJUMIQFJDNKZAE-BBRMVZONSA-N 0 1 381.444 0.619 20 0 GCADMN CC1(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575561902 949816848 /nfs/dbraw/zinc/81/68/48/949816848.db2.gz DKJJBAJNRNLNFE-STQMWFEESA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575883588 949819926 /nfs/dbraw/zinc/81/99/26/949819926.db2.gz RQKOIYYSZOFGGA-GXFFZTMASA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576172953 949827500 /nfs/dbraw/zinc/82/75/00/949827500.db2.gz ZUQPUTSHNPOPCS-YYMGMBILSA-N 0 1 383.456 0.615 20 0 GCADMN C[C@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575883983 949836431 /nfs/dbraw/zinc/83/64/31/949836431.db2.gz UBSMBUKPZKFCMB-WCQYABFASA-N 0 1 382.432 0.106 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575282456 949837152 /nfs/dbraw/zinc/83/71/52/949837152.db2.gz BPSVVSXELOIBDV-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575282456 949837189 /nfs/dbraw/zinc/83/71/89/949837189.db2.gz BPSVVSXELOIBDV-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575282456 949837210 /nfs/dbraw/zinc/83/72/10/949837210.db2.gz BPSVVSXELOIBDV-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575282456 949837231 /nfs/dbraw/zinc/83/72/31/949837231.db2.gz BPSVVSXELOIBDV-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H](NC(=O)CN1CCCC1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575282448 949841045 /nfs/dbraw/zinc/84/10/45/949841045.db2.gz BOGPOFKEFXOJAD-QWHCGFSZSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574483961 949848139 /nfs/dbraw/zinc/84/81/39/949848139.db2.gz AONXUJZIRRPILP-QWHCGFSZSA-N 0 1 382.432 0.329 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CN(C)c1ccccc1 ZINC001575282962 949850590 /nfs/dbraw/zinc/85/05/90/949850590.db2.gz CXDFEFTZHLIWCH-OLZOCXBDSA-N 0 1 381.444 0.520 20 0 GCADMN C[C@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574966486 949851562 /nfs/dbraw/zinc/85/15/62/949851562.db2.gz ZLTNTBZRWMVAIC-SSDOTTSWSA-N 0 1 378.318 0.726 20 0 GCADMN C[C@H]1CCCN(C(=O)c2csnn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177886 949864125 /nfs/dbraw/zinc/86/41/25/949864125.db2.gz CWWJTCLAPMCUFA-ONGXEEELSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178100 949878186 /nfs/dbraw/zinc/87/81/86/949878186.db2.gz AUAGEKPCOKQORD-ABAIWWIYSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575283718 949880195 /nfs/dbraw/zinc/88/01/95/949880195.db2.gz HACBFYAIBHMYJV-UONOGXRCSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575283719 949880994 /nfs/dbraw/zinc/88/09/94/949880994.db2.gz HACBFYAIBHMYJV-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575886575 949887810 /nfs/dbraw/zinc/88/78/10/949887810.db2.gz MYPXCADDFVEIGM-JQWIXIFHSA-N 0 1 381.400 0.545 20 0 GCADMN C[C@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574968335 949892015 /nfs/dbraw/zinc/89/20/15/949892015.db2.gz NWLZSUNTCPTATH-SNVBAGLBSA-N 0 1 382.432 0.134 20 0 GCADMN C[C@@H](CNC(=O)c1c(F)cncc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574968704 949907448 /nfs/dbraw/zinc/90/74/48/949907448.db2.gz RRFUSZIAXMGIRA-QMMMGPOBSA-N 0 1 375.343 0.585 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179230 949912699 /nfs/dbraw/zinc/91/26/99/949912699.db2.gz FAEMVAYTKSCQFV-MLGOLLRUSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574484986 949913417 /nfs/dbraw/zinc/91/34/17/949913417.db2.gz TYPJONUZDUEIHR-ZIAGYGMSSA-N 0 1 381.444 0.934 20 0 GCADMN CC(C)C[C@@H](C)OCCC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574144520 949914024 /nfs/dbraw/zinc/91/40/24/949914024.db2.gz OIXKXBTXIAJTGO-ZIAGYGMSSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725947 949919106 /nfs/dbraw/zinc/91/91/06/949919106.db2.gz DQMQTYMVMRQFLU-LLVKDONJSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575284911 949919928 /nfs/dbraw/zinc/91/99/28/949919928.db2.gz XBBQWPYSKRHYTD-RYUDHWBXSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575284911 949919945 /nfs/dbraw/zinc/91/99/45/949919945.db2.gz XBBQWPYSKRHYTD-RYUDHWBXSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575285224 949936332 /nfs/dbraw/zinc/93/63/32/949936332.db2.gz LWIKGVXSVJFMMY-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)(C)/C=C\C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573828356 949937475 /nfs/dbraw/zinc/93/74/75/949937475.db2.gz RPQWXOFLHFXXHQ-XQRVVYSFSA-N 0 1 386.460 0.446 20 0 GCADMN C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575285227 949937473 /nfs/dbraw/zinc/93/74/73/949937473.db2.gz LWIKGVXSVJFMMY-UONOGXRCSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574726559 949937558 /nfs/dbraw/zinc/93/75/58/949937558.db2.gz KBVDVYBEXNSTGR-NWDGAFQWSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574726559 949937581 /nfs/dbraw/zinc/93/75/81/949937581.db2.gz KBVDVYBEXNSTGR-NWDGAFQWSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574726558 949938727 /nfs/dbraw/zinc/93/87/27/949938727.db2.gz KBVDVYBEXNSTGR-NEPJUHHUSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574726558 949938751 /nfs/dbraw/zinc/93/87/51/949938751.db2.gz KBVDVYBEXNSTGR-NEPJUHHUSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](NC(=O)CN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001575285466 949942611 /nfs/dbraw/zinc/94/26/11/949942611.db2.gz NOBUHRMDFUTXRM-RYUDHWBXSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575890118 949943952 /nfs/dbraw/zinc/94/39/52/949943952.db2.gz VMDGYPAWSNKUSV-GXFFZTMASA-N 0 1 383.416 0.270 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575285546 949947519 /nfs/dbraw/zinc/94/75/19/949947519.db2.gz OJBFHDFBYRRXQW-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575285546 949947536 /nfs/dbraw/zinc/94/75/36/949947536.db2.gz OJBFHDFBYRRXQW-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574488391 949948865 /nfs/dbraw/zinc/94/88/65/949948865.db2.gz FAHZPUBRVMRRCZ-HWPZZCPQSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574488391 949948876 /nfs/dbraw/zinc/94/88/76/949948876.db2.gz FAHZPUBRVMRRCZ-HWPZZCPQSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](NC(=O)CN1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001575285468 949948784 /nfs/dbraw/zinc/94/87/84/949948784.db2.gz NOBUHRMDFUTXRM-VXGBXAGGSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574973057 949950452 /nfs/dbraw/zinc/95/04/52/949950452.db2.gz GHWKFUVDENZHGC-YUSALJHKSA-N 0 1 383.416 0.298 20 0 GCADMN C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001574489343 949963618 /nfs/dbraw/zinc/96/36/18/949963618.db2.gz IVKPYCJTZQGQFX-SCZZXKLOSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180849 949973821 /nfs/dbraw/zinc/97/38/21/949973821.db2.gz FVAWUXPBBNOMFL-KGLIPLIRSA-N 0 1 387.492 0.317 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180886 949975308 /nfs/dbraw/zinc/97/53/08/949975308.db2.gz KBJBJCLMXVQPJA-PWSUYJOCSA-N 0 1 384.404 0.205 20 0 GCADMN C[C@@H]1CCN(C(=O)C2=COCCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180906 949975656 /nfs/dbraw/zinc/97/56/56/949975656.db2.gz FYZQUUIBUOZQRT-OCCSQVGLSA-N 0 1 384.444 0.669 20 0 GCADMN C[C@@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574728493 949990037 /nfs/dbraw/zinc/99/00/37/949990037.db2.gz BKEQVQPQTNGXGJ-JTQLQIEISA-N 0 1 388.382 0.858 20 0 GCADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574490411 949992113 /nfs/dbraw/zinc/99/21/13/949992113.db2.gz REYTYMRKVGZLEZ-HZSPNIEDSA-N 0 1 381.444 0.790 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ccc(F)nc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891274 949994112 /nfs/dbraw/zinc/99/41/12/949994112.db2.gz HFFQSCFFOJKQAX-PWSUYJOCSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@H](CC(=O)N[C@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574490445 949998824 /nfs/dbraw/zinc/99/88/24/949998824.db2.gz RWWVSRXCMBSIOU-NXEZZACHSA-N 0 1 392.489 0.312 20 0 GCADMN C[C@]1(C(=O)NC[C@H](CO)Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCOC1 ZINC001575574526 950022476 /nfs/dbraw/zinc/02/24/76/950022476.db2.gz VVADLQQJOZXZFU-UHLUBPPHSA-N 0 1 387.853 0.292 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1cccc(C(N)=O)c1 ZINC001574975477 950029999 /nfs/dbraw/zinc/02/99/99/950029999.db2.gz HJAHYXOWJFHUCH-NSHDSACASA-N 0 1 382.428 0.544 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)[C@H]1CCN(C(C)(C)C)C1=O ZINC001574975643 950036188 /nfs/dbraw/zinc/03/61/88/950036188.db2.gz XWUUKFUCGDLHLU-RISCZKNCSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574491613 950039832 /nfs/dbraw/zinc/03/98/32/950039832.db2.gz DXMWAMKWCFLYQW-OCCSQVGLSA-N 0 1 379.428 0.940 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cn(C)nn1 ZINC001574150938 950047943 /nfs/dbraw/zinc/04/79/43/950047943.db2.gz HNFNVGXBLXJDFC-LLVKDONJSA-N 0 1 389.489 0.991 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cn(C)nn1 ZINC001574150938 950047964 /nfs/dbraw/zinc/04/79/64/950047964.db2.gz HNFNVGXBLXJDFC-LLVKDONJSA-N 0 1 389.489 0.991 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cnc2n1[C@H](C)CCC2 ZINC001576182406 950052121 /nfs/dbraw/zinc/05/21/21/950052121.db2.gz ZNLNXGKQFGDINU-WDEREUQCSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001574491834 950053685 /nfs/dbraw/zinc/05/36/85/950053685.db2.gz GRSTUZFXLAYSKH-LBPRGKRZSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@@H]1CNCc1ccn(C)n1 ZINC001576182680 950061931 /nfs/dbraw/zinc/06/19/31/950061931.db2.gz OXEOSCPNTGEIAL-BLLLJJGKSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1cncn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732456 950070630 /nfs/dbraw/zinc/07/06/30/950070630.db2.gz IPHRVETUAKCWFL-SSDOTTSWSA-N 0 1 382.841 0.527 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182930 950071141 /nfs/dbraw/zinc/07/11/41/950071141.db2.gz PZOKKMLKCQAHJU-ONGXEEELSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182924 950071914 /nfs/dbraw/zinc/07/19/14/950071914.db2.gz PZOKKMLKCQAHJU-GXSJLCMTSA-N 0 1 386.445 0.283 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cnnn1 ZINC001574151351 950072190 /nfs/dbraw/zinc/07/21/90/950072190.db2.gz PQMNQXXLKFHNRB-NSHDSACASA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cnnn1 ZINC001574151351 950072209 /nfs/dbraw/zinc/07/22/09/950072209.db2.gz PQMNQXXLKFHNRB-NSHDSACASA-N 0 1 390.477 0.235 20 0 GCADMN C[C@H](CC(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574492344 950076552 /nfs/dbraw/zinc/07/65/52/950076552.db2.gz MFGAHHXTXREQQN-SNVBAGLBSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCNC(=O)C1 ZINC001575577929 950089037 /nfs/dbraw/zinc/08/90/37/950089037.db2.gz YKARNKYQLJGMTJ-MRXNPFEDSA-N 0 1 389.485 0.583 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1ccn(C)n1 ZINC001576183994 950109249 /nfs/dbraw/zinc/10/92/49/950109249.db2.gz UWHDRVSRCDHCKK-WBMJQRKESA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574733700 950118314 /nfs/dbraw/zinc/11/83/14/950118314.db2.gz GCXJQKAIVJLLHP-MVWJERBFSA-N 0 1 383.416 0.298 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1nc[nH]n1 ZINC001574152878 950120920 /nfs/dbraw/zinc/12/09/20/950120920.db2.gz LCWCPVKYUAGDGI-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)Nc1ccccc1F ZINC001574977588 950121465 /nfs/dbraw/zinc/12/14/65/950121465.db2.gz MAADJNBMBRJRLG-SNVBAGLBSA-N 0 1 386.391 0.681 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576184301 950122604 /nfs/dbraw/zinc/12/26/04/950122604.db2.gz UVSHWLDVUQBSBL-UONOGXRCSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576184301 950122618 /nfs/dbraw/zinc/12/26/18/950122618.db2.gz UVSHWLDVUQBSBL-UONOGXRCSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576184301 950122635 /nfs/dbraw/zinc/12/26/35/950122635.db2.gz UVSHWLDVUQBSBL-UONOGXRCSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576184301 950122651 /nfs/dbraw/zinc/12/26/51/950122651.db2.gz UVSHWLDVUQBSBL-UONOGXRCSA-N 0 1 387.492 0.893 20 0 GCADMN C[C@@]1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCC2)CCC(=O)NC1 ZINC001575582630 950125579 /nfs/dbraw/zinc/12/55/79/950125579.db2.gz LOZPWQBUNJBNRL-QGZVFWFLSA-N 0 1 384.444 0.051 20 0 GCADMN CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CC(F)(F)C1 ZINC001575582857 950128348 /nfs/dbraw/zinc/12/83/48/950128348.db2.gz HWVRCRFIXIKBSM-RTCCRHLQSA-N 0 1 390.398 0.891 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2=NC(=O)N(C)C2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575897649 950143326 /nfs/dbraw/zinc/14/33/26/950143326.db2.gz PMCRBDJEFLWCGT-PWSUYJOCSA-N 0 1 383.416 0.488 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2=NC(=O)N(C)C2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575897650 950146377 /nfs/dbraw/zinc/14/63/77/950146377.db2.gz PMCRBDJEFLWCGT-ZYHUDNBSSA-N 0 1 383.416 0.488 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576185003 950152369 /nfs/dbraw/zinc/15/23/69/950152369.db2.gz YJERWWIAVFCVFF-AAEUAGOBSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576185006 950152591 /nfs/dbraw/zinc/15/25/91/950152591.db2.gz YJERWWIAVFCVFF-YPMHNXCESA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)Nc1nccs1 ZINC001574738224 950167061 /nfs/dbraw/zinc/16/70/61/950167061.db2.gz CTZDEWVLZLEACT-VIFPVBQESA-N 0 1 389.445 0.340 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)Nc1ccccc1 ZINC001574738898 950179784 /nfs/dbraw/zinc/17/97/84/950179784.db2.gz JAEJSERXTDKNTP-GFCCVEGCSA-N 0 1 382.428 0.884 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899756 950180118 /nfs/dbraw/zinc/18/01/18/950180118.db2.gz YVDTZKYDPGTGIP-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1cn[nH]c1 ZINC001574155061 950183907 /nfs/dbraw/zinc/18/39/07/950183907.db2.gz JCOUFOMBOONWFO-ZDUSSCGKSA-N 0 1 384.448 0.377 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574155183 950184957 /nfs/dbraw/zinc/18/49/57/950184957.db2.gz JOEWRSMDLNOKAJ-KGLIPLIRSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574155183 950184966 /nfs/dbraw/zinc/18/49/66/950184966.db2.gz JOEWRSMDLNOKAJ-KGLIPLIRSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574155183 950184976 /nfs/dbraw/zinc/18/49/76/950184976.db2.gz JOEWRSMDLNOKAJ-KGLIPLIRSA-N 0 1 387.492 0.363 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)CCNC1=O ZINC001575585307 950189858 /nfs/dbraw/zinc/18/98/58/950189858.db2.gz YKVOCQVRSFKDKY-SGTLLEGYSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191604 950205617 /nfs/dbraw/zinc/20/56/17/950205617.db2.gz HIKDPLLROGBTSA-RYUDHWBXSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)(C)CCNC(=O)CNC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573844968 950211708 /nfs/dbraw/zinc/21/17/08/950211708.db2.gz PJWKWECVHHUJJB-UHFFFAOYSA-N 0 1 388.476 0.599 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574496107 950212050 /nfs/dbraw/zinc/21/20/50/950212050.db2.gz VPUVCEPLRKQFIL-TZMCWYRMSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC1=O ZINC001575586408 950217972 /nfs/dbraw/zinc/21/79/72/950217972.db2.gz HMNLZIQKSQSATC-GTNSWQLSSA-N 0 1 389.485 0.393 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC1=O ZINC001575586408 950217993 /nfs/dbraw/zinc/21/79/93/950217993.db2.gz HMNLZIQKSQSATC-GTNSWQLSSA-N 0 1 389.485 0.393 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC1=O ZINC001575586408 950218013 /nfs/dbraw/zinc/21/80/13/950218013.db2.gz HMNLZIQKSQSATC-GTNSWQLSSA-N 0 1 389.485 0.393 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC1=O ZINC001575586408 950218033 /nfs/dbraw/zinc/21/80/33/950218033.db2.gz HMNLZIQKSQSATC-GTNSWQLSSA-N 0 1 389.485 0.393 20 0 GCADMN C[C@H](CC(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(N)=O ZINC001574496584 950218855 /nfs/dbraw/zinc/21/88/55/950218855.db2.gz XPFADYDHWXBXJB-MNOVXSKESA-N 0 1 392.439 0.389 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575901213 950223374 /nfs/dbraw/zinc/22/33/74/950223374.db2.gz MLMYCFHTTKSFEN-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192101 950224097 /nfs/dbraw/zinc/22/40/97/950224097.db2.gz LTUIKXYKLUZQME-AORAQPTISA-N 0 1 383.456 0.473 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574156094 950224997 /nfs/dbraw/zinc/22/49/97/950224997.db2.gz WPBMKPKHBVDCJU-SCLBCKFNSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574497324 950226527 /nfs/dbraw/zinc/22/65/27/950226527.db2.gz ZFWXEOBSJOTNPA-GXTWGEPZSA-N 0 1 382.428 0.161 20 0 GCADMN CC(C)(C)CNC(=O)CN1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573845563 950229512 /nfs/dbraw/zinc/22/95/12/950229512.db2.gz HCUZATSVYHUFPO-GFCCVEGCSA-N 0 1 388.476 0.409 20 0 GCADMN CC(C)(C)CCNC(=O)CNC1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573845421 950230844 /nfs/dbraw/zinc/23/08/44/950230844.db2.gz ZDZGBXARDPPSFC-UHFFFAOYSA-N 0 1 388.476 0.599 20 0 GCADMN C[C@H](CN(C)C(=O)c1c(C2CC2)cnn1C)Nc1ccncc1-c1nn[nH]n1 ZINC001574741137 950234867 /nfs/dbraw/zinc/23/48/67/950234867.db2.gz GWLKXSCTLQQMDK-LLVKDONJSA-N 0 1 381.444 0.867 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[N@H+](C)C(C)C ZINC001574157443 950236746 /nfs/dbraw/zinc/23/67/46/950236746.db2.gz BJILAVBICRKLBX-CYBMUJFWSA-N 0 1 375.481 0.940 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[N@@H+](C)C(C)C ZINC001574157443 950236761 /nfs/dbraw/zinc/23/67/61/950236761.db2.gz BJILAVBICRKLBX-CYBMUJFWSA-N 0 1 375.481 0.940 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1cccn1 ZINC001574157479 950237682 /nfs/dbraw/zinc/23/76/82/950237682.db2.gz BVKBCAINHVCJKM-CQSZACIVSA-N 0 1 383.460 0.913 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CCNC(=O)C1 ZINC001575587889 950237870 /nfs/dbraw/zinc/23/78/70/950237870.db2.gz OXJLVWKHRIYWFL-SGTLLEGYSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@@]1(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CCNC(=O)C1 ZINC001575587887 950238814 /nfs/dbraw/zinc/23/88/14/950238814.db2.gz OXJLVWKHRIYWFL-KZULUSFZSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@@H]1[C@@H](NCC(=O)Nc2ccon2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901863 950243976 /nfs/dbraw/zinc/24/39/76/950243976.db2.gz QXEXEJALTHEQTM-KOLCDFICSA-N 0 1 385.388 0.014 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1COC(=O)C1 ZINC001574157651 950245677 /nfs/dbraw/zinc/24/56/77/950245677.db2.gz FZBHBCVVPYFXRW-CHWSQXEVSA-N 0 1 387.444 0.580 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001574157653 950247031 /nfs/dbraw/zinc/24/70/31/950247031.db2.gz FZBHBCVVPYFXRW-QWHCGFSZSA-N 0 1 387.444 0.580 20 0 GCADMN C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574497930 950252009 /nfs/dbraw/zinc/25/20/09/950252009.db2.gz GLZTYJZYXAHTIV-VIFPVBQESA-N 0 1 378.462 0.114 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575902452 950259051 /nfs/dbraw/zinc/25/90/51/950259051.db2.gz UZURGGRZVDROAH-SMDDNHRTSA-N 0 1 382.432 0.173 20 0 GCADMN C[C@]1(C(=O)NCC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCCOC1 ZINC001575589555 950262397 /nfs/dbraw/zinc/26/23/97/950262397.db2.gz WFWJXESZHCJCRA-SFHVURJKSA-N 0 1 386.460 0.806 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574984143 950263393 /nfs/dbraw/zinc/26/33/93/950263393.db2.gz VXQQANCGSADQAD-JTQLQIEISA-N 0 1 386.391 0.339 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)CCc1c[nH]nn1 ZINC001574157907 950265639 /nfs/dbraw/zinc/26/56/39/950265639.db2.gz KZFBVEUKWGOYIU-GFCCVEGCSA-N 0 1 385.436 0.350 20 0 GCADMN C[C@H](CN(C)C(=O)c1c(Cl)cnn1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574742144 950270994 /nfs/dbraw/zinc/27/09/94/950270994.db2.gz MKMSZDOJELKDGH-MRVPVSSYSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001576192844 950272148 /nfs/dbraw/zinc/27/21/48/950272148.db2.gz PXUHERILAOCJJQ-WFASDCNBSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001576192844 950272167 /nfs/dbraw/zinc/27/21/67/950272167.db2.gz PXUHERILAOCJJQ-WFASDCNBSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1ccnn1 ZINC001575904679 950282198 /nfs/dbraw/zinc/28/21/98/950282198.db2.gz AFWFRGQQNSQNPV-WCQYABFASA-N 0 1 387.473 0.689 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1ccnn1 ZINC001575904679 950282216 /nfs/dbraw/zinc/28/22/16/950282216.db2.gz AFWFRGQQNSQNPV-WCQYABFASA-N 0 1 387.473 0.689 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575905064 950285039 /nfs/dbraw/zinc/28/50/39/950285039.db2.gz BDGCEVHXBOSPGV-KOLCDFICSA-N 0 1 386.441 0.817 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575905064 950285056 /nfs/dbraw/zinc/28/50/56/950285056.db2.gz BDGCEVHXBOSPGV-KOLCDFICSA-N 0 1 386.441 0.817 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575904837 950286604 /nfs/dbraw/zinc/28/66/04/950286604.db2.gz AVCPIVZWVLXIPY-FZMZJTMJSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1cnn(C)c1 ZINC001575904837 950286622 /nfs/dbraw/zinc/28/66/22/950286622.db2.gz AVCPIVZWVLXIPY-FZMZJTMJSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC001574498868 950291023 /nfs/dbraw/zinc/29/10/23/950291023.db2.gz QPHWVYJBRWORHI-JSGCOSHPSA-N 0 1 382.428 0.161 20 0 GCADMN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2c[nH]nc2-c2nn[nH]n2)cc1 ZINC001573851476 950291667 /nfs/dbraw/zinc/29/16/67/950291667.db2.gz ZDOXTADGIKGSTB-UHFFFAOYSA-N 0 1 390.429 0.919 20 0 GCADMN C[C@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193301 950292559 /nfs/dbraw/zinc/29/25/59/950292559.db2.gz SJBPAXBHMYKVLK-GXTWGEPZSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCCC(N)=O ZINC001575905464 950293009 /nfs/dbraw/zinc/29/30/09/950293009.db2.gz CUGPACHVBRYDBF-ZYHUDNBSSA-N 0 1 377.474 0.663 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCCC(N)=O ZINC001575905464 950293027 /nfs/dbraw/zinc/29/30/27/950293027.db2.gz CUGPACHVBRYDBF-ZYHUDNBSSA-N 0 1 377.474 0.663 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCCC(N)=O ZINC001575905462 950294238 /nfs/dbraw/zinc/29/42/38/950294238.db2.gz CUGPACHVBRYDBF-JQWIXIFHSA-N 0 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CC(C)C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)CC(N)=O ZINC001574159758 950318065 /nfs/dbraw/zinc/31/80/65/950318065.db2.gz IIMHBVWYMKYCTA-ZETCQYMHSA-N 0 1 386.869 0.795 20 0 GCADMN C[C@]1(C(=O)NCCOCCCNc2ccncc2-c2nn[nH]n2)CCCOC1 ZINC001575594495 950335194 /nfs/dbraw/zinc/33/51/94/950335194.db2.gz UOQVDZJMNZDYMR-SFHVURJKSA-N 0 1 389.460 0.435 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574501847 950348275 /nfs/dbraw/zinc/34/82/75/950348275.db2.gz GXQPCOFHZDOOEX-QWRGUYRKSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574501847 950348302 /nfs/dbraw/zinc/34/83/02/950348302.db2.gz GXQPCOFHZDOOEX-QWRGUYRKSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574501847 950348324 /nfs/dbraw/zinc/34/83/24/950348324.db2.gz GXQPCOFHZDOOEX-QWRGUYRKSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O 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C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ncccc1F ZINC001575922987 950654869 /nfs/dbraw/zinc/65/48/69/950654869.db2.gz BJMDKLUKOPABPH-FZMZJTMJSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1c[nH]nc1C1CC1 ZINC001575923219 950656449 /nfs/dbraw/zinc/65/64/49/950656449.db2.gz PTZUQLFVQDMTLE-CABZTGNLSA-N 0 1 380.416 0.394 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575923328 950660298 /nfs/dbraw/zinc/66/02/98/950660298.db2.gz RAVUCVGVNRHNLF-JSGCOSHPSA-N 0 1 386.460 0.343 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCC(=O)N(C)C ZINC001575923324 950660492 /nfs/dbraw/zinc/66/04/92/950660492.db2.gz RAVUCVGVNRHNLF-GXTWGEPZSA-N 0 1 386.460 0.343 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575923540 950663599 /nfs/dbraw/zinc/66/35/99/950663599.db2.gz BYYUABWVDUYTIB-MWLCHTKSSA-N 0 1 387.835 0.786 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccc1 ZINC001574518924 950663780 /nfs/dbraw/zinc/66/37/80/950663780.db2.gz RUQSKYBRRWSZGY-FOCJUVANSA-N 0 1 379.428 0.660 20 0 GCADMN C[C@@H](CNC(=O)c1cc(F)c(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575002572 950664174 /nfs/dbraw/zinc/66/41/74/950664174.db2.gz VJTMALVMDLQSAL-ZETCQYMHSA-N 0 1 378.318 0.726 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575924058 950668819 /nfs/dbraw/zinc/66/88/19/950668819.db2.gz RNGTTZSACKUMJQ-MWLCHTKSSA-N 0 1 388.823 0.030 20 0 GCADMN CC[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001589744916 950673233 /nfs/dbraw/zinc/67/32/33/950673233.db2.gz LAHFLZZRUVCSAS-AUUYWEPGSA-N 0 1 399.488 0.925 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575924287 950673176 /nfs/dbraw/zinc/67/31/76/950673176.db2.gz FDCHWSXIMKSNQL-JOYOIKCWSA-N 0 1 387.835 0.786 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575925018 950675348 /nfs/dbraw/zinc/67/53/48/950675348.db2.gz SQUGIKWBZJCROA-OCCSQVGLSA-N 0 1 385.476 0.212 20 0 GCADMN CC1(C)C2CCC1(C(=O)NC[C@H](CO)Nc1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575624867 950675367 /nfs/dbraw/zinc/67/53/67/950675367.db2.gz PUIWXIHUZWWGHI-BJCXPLBRSA-N 0 1 386.460 0.184 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215177 950692685 /nfs/dbraw/zinc/69/26/85/950692685.db2.gz DOIIKYAILWKGIT-NEPJUHHUSA-N 0 1 381.444 0.693 20 0 GCADMN CC(C)(C)[C@@H]1C[C@H]1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001573877799 950696147 /nfs/dbraw/zinc/69/61/47/950696147.db2.gz GRIGCYGHORYWMK-JHJVBQTASA-N 0 1 386.460 0.660 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215315 950696745 /nfs/dbraw/zinc/69/67/45/950696745.db2.gz FGUMNMHFFRSRMZ-MNOVXSKESA-N 0 1 381.444 0.762 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926184 950700378 /nfs/dbraw/zinc/70/03/78/950700378.db2.gz VWJOJXLJEYVOFM-WCBMZHEXSA-N 0 1 388.823 0.181 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926183 950702513 /nfs/dbraw/zinc/70/25/13/950702513.db2.gz VWJOJXLJEYVOFM-SCZZXKLOSA-N 0 1 388.823 0.181 20 0 GCADMN C[C@H](CNC(=O)c1cc[n+]([O-])cc1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575006020 950712811 /nfs/dbraw/zinc/71/28/11/950712811.db2.gz QHUADXQTSRVORA-GFCCVEGCSA-N 0 1 385.403 0.890 20 0 GCADMN C[C@H]1CCc2nc(C(=O)NCCN(C)c3ccnc(-c4nn[nH]n4)n3)cn2C1 ZINC001576215835 950713873 /nfs/dbraw/zinc/71/38/73/950713873.db2.gz GNQABQHZIJKVMB-NSHDSACASA-N 0 1 382.432 0.302 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCCn1cccc1 ZINC001575926552 950715461 /nfs/dbraw/zinc/71/54/61/950715461.db2.gz XOCJZNMSJGPUEK-UONOGXRCSA-N 0 1 381.444 0.762 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n1CCC2 ZINC001575926743 950722582 /nfs/dbraw/zinc/72/25/82/950722582.db2.gz LICFFFTZBAYMDW-DGCLKSJQSA-N 0 1 379.428 0.541 20 0 GCADMN CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001573879478 950722916 /nfs/dbraw/zinc/72/29/16/950722916.db2.gz CELPWYGCBUZUGK-SNVBAGLBSA-N 0 1 382.432 0.426 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575926901 950728082 /nfs/dbraw/zinc/72/80/82/950728082.db2.gz ZAFONMWUSYJUNB-PWSUYJOCSA-N 0 1 385.457 0.569 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576216299 950729470 /nfs/dbraw/zinc/72/94/70/950729470.db2.gz DGJLPSHNTFYFPS-VHSXEESVSA-N 0 1 380.403 0.876 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575926984 950730349 /nfs/dbraw/zinc/73/03/49/950730349.db2.gz ZMRUDNZLZAJLFP-KBPBESRZSA-N 0 1 385.476 0.356 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCCO2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575006948 950730385 /nfs/dbraw/zinc/73/03/85/950730385.db2.gz YUHCXCCSLMHZKC-LLVKDONJSA-N 0 1 383.416 0.495 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C)c1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763758 950730664 /nfs/dbraw/zinc/73/06/64/950730664.db2.gz JUEHWWDOXDJCQQ-QMMMGPOBSA-N 0 1 392.374 0.322 20 0 GCADMN CC(C)(C)c1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001573879756 950731962 /nfs/dbraw/zinc/73/19/62/950731962.db2.gz KWUHFQRVDVNBDX-JTQLQIEISA-N 0 1 383.416 0.691 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575927046 950732969 /nfs/dbraw/zinc/73/29/69/950732969.db2.gz ZUUPYLGVDRIXQC-GHMZBOCLSA-N 0 1 385.457 0.569 20 0 GCADMN C[C@H]1CCn2ncc(C(=O)N(C)CCNc3ccnc(-c4nn[nH]n4)n3)c2C1 ZINC001576216437 950738569 /nfs/dbraw/zinc/73/85/69/950738569.db2.gz JHAPWWKNAHFUKX-NSHDSACASA-N 0 1 382.432 0.042 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575927326 950741379 /nfs/dbraw/zinc/74/13/79/950741379.db2.gz PBQYNRTWGNYTNB-BXUZGUMPSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575927483 950743417 /nfs/dbraw/zinc/74/34/17/950743417.db2.gz PQTYRTJHGFEGRU-FZMZJTMJSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575927484 950745213 /nfs/dbraw/zinc/74/52/13/950745213.db2.gz PQTYRTJHGFEGRU-RISCZKNCSA-N 0 1 380.412 0.097 20 0 GCADMN CC1(C)CC(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCOCC2)C1 ZINC001575629763 950750061 /nfs/dbraw/zinc/75/00/61/950750061.db2.gz SDEVCIZZSVRSKD-UHFFFAOYSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575927696 950752603 /nfs/dbraw/zinc/75/26/03/950752603.db2.gz SHLQYYUDDCTELW-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575927696 950752625 /nfs/dbraw/zinc/75/26/25/950752625.db2.gz SHLQYYUDDCTELW-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C2CCC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764510 950754046 /nfs/dbraw/zinc/75/40/46/950754046.db2.gz UQCFDRQWVIMJLH-LLVKDONJSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cn(C)ccc1=O ZINC001575927875 950759291 /nfs/dbraw/zinc/75/92/91/950759291.db2.gz VLHLPEAONDLRLJ-RISCZKNCSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CN[C@@H](C)c1nnnn1C1CC1 ZINC001575008901 950760679 /nfs/dbraw/zinc/76/06/79/950760679.db2.gz JXZLTKAUSGXOTJ-UWVGGRQHSA-N 0 1 385.436 0.233 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574182789 950765664 /nfs/dbraw/zinc/76/56/64/950765664.db2.gz YTPLSZYSYGNTTA-BETUJISGSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CS(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574521043 950766452 /nfs/dbraw/zinc/76/64/52/950766452.db2.gz CPFNQTUSDCMHAD-ZJUUUORDSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CS(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574521043 950766466 /nfs/dbraw/zinc/76/64/66/950766466.db2.gz CPFNQTUSDCMHAD-ZJUUUORDSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CS(C)(=O)=O ZINC001574521042 950767670 /nfs/dbraw/zinc/76/76/70/950767670.db2.gz CPFNQTUSDCMHAD-VHSXEESVSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CS(C)(=O)=O ZINC001574521042 950767652 /nfs/dbraw/zinc/76/76/52/950767652.db2.gz CPFNQTUSDCMHAD-VHSXEESVSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576218054 950778998 /nfs/dbraw/zinc/77/89/98/950778998.db2.gz KOEGMQBULKLMTG-KPZWWZAWSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575929600 950786937 /nfs/dbraw/zinc/78/69/37/950786937.db2.gz CRHJWWDGENMGPZ-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575929600 950786964 /nfs/dbraw/zinc/78/69/64/950786964.db2.gz CRHJWWDGENMGPZ-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H](CN(C)C(=O)c1ncn(C)n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574765527 950792750 /nfs/dbraw/zinc/79/27/50/950792750.db2.gz DIYGKVRFLZTHDH-ZCFIWIBFSA-N 0 1 382.841 0.678 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001575009744 950794178 /nfs/dbraw/zinc/79/41/78/950794178.db2.gz WEIMBONMSUBPPW-HBNTYKKESA-N 0 1 383.416 0.204 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CCc1cnc[nH]1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574522806 950799341 /nfs/dbraw/zinc/79/93/41/950799341.db2.gz LBXKJVCCGYMGIV-WDEREUQCSA-N 0 1 385.432 0.564 20 0 GCADMN C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CCc1cnc[nH]1 ZINC001574522805 950799970 /nfs/dbraw/zinc/79/99/70/950799970.db2.gz LBXKJVCCGYMGIV-QWRGUYRKSA-N 0 1 385.432 0.564 20 0 GCADMN C[C@H]1CCn2ncc(C(=O)NCCN(C)c3ccncc3-c3nn[nH]n3)c2C1 ZINC001576218929 950800184 /nfs/dbraw/zinc/80/01/84/950800184.db2.gz RXHSHPMXDVGPFV-LBPRGKRZSA-N 0 1 381.444 0.907 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1ccnn1 ZINC001574522907 950804242 /nfs/dbraw/zinc/80/42/42/950804242.db2.gz LTLOLQAIAGRFTM-RYUDHWBXSA-N 0 1 389.489 0.983 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCn1ccnn1 ZINC001574522907 950804263 /nfs/dbraw/zinc/80/42/63/950804263.db2.gz LTLOLQAIAGRFTM-RYUDHWBXSA-N 0 1 389.489 0.983 20 0 GCADMN CC(C)(C)c1nc(CN2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC001573885078 950812954 /nfs/dbraw/zinc/81/29/54/950812954.db2.gz NWHXNEFAVBQCJF-UHFFFAOYSA-N 0 1 384.448 0.568 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576219955 950819826 /nfs/dbraw/zinc/81/98/26/950819826.db2.gz PIAXSIZUARPMLD-QWHCGFSZSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H](CN(C)C(=O)c1nnn(C)n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574766693 950821853 /nfs/dbraw/zinc/82/18/53/950821853.db2.gz KJCLDGYMMUPQCV-YFKPBYRVSA-N 0 1 383.829 0.073 20 0 GCADMN CC(C)(C)c1nc(CN2CC(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001573885953 950839011 /nfs/dbraw/zinc/83/90/11/950839011.db2.gz YOPNHWJQMQKLKR-UHFFFAOYSA-N 0 1 384.448 0.472 20 0 GCADMN C[C@H](CN(C)[C@@H]1CCN(C2CCC2)C1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767161 950839491 /nfs/dbraw/zinc/83/94/91/950839491.db2.gz MOEIKYGWSGTQJV-IAQYHMDHSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575933746 950844252 /nfs/dbraw/zinc/84/42/52/950844252.db2.gz PMBXLZBGULDMLB-WDSKDSINSA-N 0 1 380.825 0.810 20 0 GCADMN C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCc1c[nH]nn1 ZINC001575933672 950844327 /nfs/dbraw/zinc/84/43/27/950844327.db2.gz PFOZOBYYAFKYOI-TVQRCGJNSA-N 0 1 386.395 0.553 20 0 GCADMN C[C@@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCc1c[nH]nn1 ZINC001575933670 950846048 /nfs/dbraw/zinc/84/60/48/950846048.db2.gz PFOZOBYYAFKYOI-NOZJJQNGSA-N 0 1 386.395 0.553 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573888696 950876295 /nfs/dbraw/zinc/87/62/95/950876295.db2.gz YSZRPTQCLTXFKN-UHFFFAOYSA-N 0 1 383.416 0.739 20 0 GCADMN C[C@H](C[C@H](C)NCc1nnnn1C1CC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574527402 950886133 /nfs/dbraw/zinc/88/61/33/950886133.db2.gz BDOPZXHRLKRVBQ-VHSXEESVSA-N 0 1 385.436 0.203 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576226850 950891041 /nfs/dbraw/zinc/89/10/41/950891041.db2.gz BANCQKPZUZIWKZ-STQMWFEESA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001576226847 950891081 /nfs/dbraw/zinc/89/10/81/950891081.db2.gz BANCQKPZUZIWKZ-CHWSQXEVSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)n1 ZINC001574527569 950898024 /nfs/dbraw/zinc/89/80/24/950898024.db2.gz DMHRYVMYRBZBNX-UWVGGRQHSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)n1 ZINC001574527569 950898046 /nfs/dbraw/zinc/89/80/46/950898046.db2.gz DMHRYVMYRBZBNX-UWVGGRQHSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576227087 950901541 /nfs/dbraw/zinc/90/15/41/950901541.db2.gz BITNPRTXVGLYDX-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN CC1(C)C[C@H](NC(=O)c2cnon2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575640835 950903798 /nfs/dbraw/zinc/90/37/98/950903798.db2.gz LGMQOVZAZYGMDR-SNVBAGLBSA-N 0 1 384.404 0.465 20 0 GCADMN C[C@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575936177 950907051 /nfs/dbraw/zinc/90/70/51/950907051.db2.gz CPEDYWLPZUUSNS-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575936177 950907064 /nfs/dbraw/zinc/90/70/64/950907064.db2.gz CPEDYWLPZUUSNS-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576227522 950915210 /nfs/dbraw/zinc/91/52/10/950915210.db2.gz DNIHJBDGKCXNMQ-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576227522 950915225 /nfs/dbraw/zinc/91/52/25/950915225.db2.gz DNIHJBDGKCXNMQ-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN CC1(C)C[C@@H](NC(=O)[C@]23C[C@H]2COC3)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575641346 950915207 /nfs/dbraw/zinc/91/52/07/950915207.db2.gz OFHVDYOOEWKDES-JMERFSKESA-N 0 1 398.471 0.804 20 0 GCADMN C[C@H]1CN(C(=O)C2(C)CC2)C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576227518 950917103 /nfs/dbraw/zinc/91/71/03/950917103.db2.gz DKWAJVVUEJGHEC-KPZWWZAWSA-N 0 1 384.444 0.653 20 0 GCADMN CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001573894104 950923033 /nfs/dbraw/zinc/92/30/33/950923033.db2.gz MAFODXLRKJQUNO-PHIMTYICSA-N 0 1 382.432 0.403 20 0 GCADMN CC(C)(CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)CC(F)F ZINC001573896175 950948668 /nfs/dbraw/zinc/94/86/68/950948668.db2.gz GMOBVHSIUGSCLQ-SNVBAGLBSA-N 0 1 383.403 0.644 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1nccnc1N ZINC001574529552 950949988 /nfs/dbraw/zinc/94/99/88/950949988.db2.gz RBZAQGBQEKYIQZ-NXEZZACHSA-N 0 1 387.473 0.987 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1nccnc1N ZINC001574529552 950949999 /nfs/dbraw/zinc/94/99/99/950949999.db2.gz RBZAQGBQEKYIQZ-NXEZZACHSA-N 0 1 387.473 0.987 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576228686 950952821 /nfs/dbraw/zinc/95/28/21/950952821.db2.gz IJLPGEHHLXMVNY-STQMWFEESA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576228686 950952841 /nfs/dbraw/zinc/95/28/41/950952841.db2.gz IJLPGEHHLXMVNY-STQMWFEESA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnnn1C ZINC001574530194 950970832 /nfs/dbraw/zinc/97/08/32/950970832.db2.gz TWSCWFZAZHOKOS-UWVGGRQHSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnnn1C ZINC001574530194 950970854 /nfs/dbraw/zinc/97/08/54/950970854.db2.gz TWSCWFZAZHOKOS-UWVGGRQHSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1nnnn1C1CC1 ZINC001574530605 950989237 /nfs/dbraw/zinc/98/92/37/950989237.db2.gz CMMZOTBRKWNLRU-ZJUUUORDSA-N 0 1 385.436 0.203 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576230198 950993825 /nfs/dbraw/zinc/99/38/25/950993825.db2.gz LSJAGGPMJUZVLZ-OLZOCXBDSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576230200 950994011 /nfs/dbraw/zinc/99/40/11/950994011.db2.gz LSJAGGPMJUZVLZ-QWHCGFSZSA-N 0 1 385.476 0.069 20 0 GCADMN CC(C)CCCCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001574195612 951001676 /nfs/dbraw/zinc/00/16/76/951001676.db2.gz UWTPOWJAHQRMMG-KBPBESRZSA-N 0 1 388.476 0.929 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574774605 951007591 /nfs/dbraw/zinc/00/75/91/951007591.db2.gz DPAZBRHBLCTXND-ZMZPIMSZSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)c1c[nH]c(=O)cn1 ZINC001574774577 951007760 /nfs/dbraw/zinc/00/77/60/951007760.db2.gz DCFMXKJHZWEHNT-SNVBAGLBSA-N 0 1 386.391 0.339 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575023252 951077177 /nfs/dbraw/zinc/07/71/77/951077177.db2.gz LKZWHFCGLHFZKM-SECBINFHSA-N 0 1 386.441 0.677 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575024203 951096091 /nfs/dbraw/zinc/09/60/91/951096091.db2.gz XVSGIJHBMRTQJU-MRVPVSSYSA-N 0 1 375.414 0.528 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575024203 951096103 /nfs/dbraw/zinc/09/61/03/951096103.db2.gz XVSGIJHBMRTQJU-MRVPVSSYSA-N 0 1 375.414 0.528 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccncc1-c1nn[nH]n1 ZINC001575024958 951120520 /nfs/dbraw/zinc/12/05/20/951120520.db2.gz QMFRSZNLUPRENE-LBPRGKRZSA-N 0 1 378.440 0.906 20 0 GCADMN C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575025296 951128841 /nfs/dbraw/zinc/12/88/41/951128841.db2.gz XCKWUCLZNOJZRU-SNVBAGLBSA-N 0 1 385.407 0.514 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575026227 951140955 /nfs/dbraw/zinc/14/09/55/951140955.db2.gz HCPXNFGTBFJDBO-LBPRGKRZSA-N 0 1 381.444 0.371 20 0 GCADMN C[C@H](CNC(=O)c1ccnn1CC(F)F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575033841 951229725 /nfs/dbraw/zinc/22/97/25/951229725.db2.gz CKAFSICCRNSSLT-VIFPVBQESA-N 0 1 392.374 0.018 20 0 GCADMN C[C@@H](CNC(=O)c1ccnn1C1CCC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575033973 951234573 /nfs/dbraw/zinc/23/45/73/951234573.db2.gz FSTWAUYLEWQYQZ-NSHDSACASA-N 0 1 382.432 0.833 20 0 GCADMN CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[C@@H](C)C1 ZINC001591878708 951240421 /nfs/dbraw/zinc/24/04/21/951240421.db2.gz XHCRUVHKLMJFCV-FPXQBCRKSA-N 0 1 383.489 0.866 20 0 GCADMN C[C@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575035783 951282713 /nfs/dbraw/zinc/28/27/13/951282713.db2.gz LLIFBAIOQFIBOC-SNVBAGLBSA-N 0 1 391.386 0.978 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C)n1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575036638 951298563 /nfs/dbraw/zinc/29/85/63/951298563.db2.gz UTAIQNVMMMDRBD-SSDOTTSWSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575042271 951359077 /nfs/dbraw/zinc/35/90/77/951359077.db2.gz HWJHVFSGESIJPG-LLVKDONJSA-N 0 1 381.444 0.773 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575042925 951376165 /nfs/dbraw/zinc/37/61/65/951376165.db2.gz NDNLJYJSRXRGCM-SNVBAGLBSA-N 0 1 382.432 0.168 20 0 GCADMN C[C@H](CNC(=O)c1cnc(C2CC2)nc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575042931 951376611 /nfs/dbraw/zinc/37/66/11/951376611.db2.gz DIQFAVHVJFOKQH-JTQLQIEISA-N 0 1 380.416 0.224 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2cnccc2c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575043002 951377696 /nfs/dbraw/zinc/37/76/96/951377696.db2.gz FJARJIZPTGEKMQ-LLVKDONJSA-N 0 1 390.411 0.500 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043962 951406191 /nfs/dbraw/zinc/40/61/91/951406191.db2.gz NIONQOTXQTWGBI-JTQLQIEISA-N 0 1 388.457 0.563 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575043962 951406199 /nfs/dbraw/zinc/40/61/99/951406199.db2.gz NIONQOTXQTWGBI-JTQLQIEISA-N 0 1 388.457 0.563 20 0 GCADMN C[C@H](CNC(=O)c1cn2ccccc2n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575044766 951417281 /nfs/dbraw/zinc/41/72/81/951417281.db2.gz UYBCGYHUTGFKHD-LBPRGKRZSA-N 0 1 377.412 0.809 20 0 GCADMN C[C@@H](CNC(=O)c1cncnc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575046775 951447518 /nfs/dbraw/zinc/44/75/18/951447518.db2.gz SHWMTEHCKSAEHJ-LLVKDONJSA-N 0 1 379.428 0.829 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1Cl)CNc1ccncc1-c1nn[nH]n1 ZINC001575051897 951457169 /nfs/dbraw/zinc/45/71/69/951457169.db2.gz AJNKUYBLMWJOHC-SECBINFHSA-N 0 1 375.824 0.549 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575052171 951458823 /nfs/dbraw/zinc/45/88/23/951458823.db2.gz FHMFDPFNKIDUIJ-SECBINFHSA-N 0 1 391.386 0.833 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1C(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575052490 951465715 /nfs/dbraw/zinc/46/57/15/951465715.db2.gz KCPADATXMMHDLJ-QMMMGPOBSA-N 0 1 377.359 0.585 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1Cl)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575053076 951474480 /nfs/dbraw/zinc/47/44/80/951474480.db2.gz QFMBVDQUOWWXGG-SECBINFHSA-N 0 1 375.824 0.903 20 0 GCADMN C[C@H](CNC(=O)c1cnn2c1CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575055590 951508841 /nfs/dbraw/zinc/50/88/41/951508841.db2.gz XXZUVJLPXSUDED-LLVKDONJSA-N 0 1 382.432 0.444 20 0 GCADMN C[C@@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575057786 951530511 /nfs/dbraw/zinc/53/05/11/951530511.db2.gz QKJCXUHDOJPVFZ-JTQLQIEISA-N 0 1 383.416 0.852 20 0 GCADMN C[C@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575060847 951550232 /nfs/dbraw/zinc/55/02/32/951550232.db2.gz ICFFAWVERLVWAJ-SNVBAGLBSA-N 0 1 382.432 0.301 20 0 GCADMN C[C@@H](CNC(=O)c1ncoc1[C@H]1CCCO1)N=c1cc[nH]c(-c2nn[nH]n2)n1 ZINC001575064756 951576574 /nfs/dbraw/zinc/57/65/74/951576574.db2.gz CVXLPQFTXUVJIE-VHSXEESVSA-N 0 1 385.388 0.149 20 0 GCADMN C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575065386 951583508 /nfs/dbraw/zinc/58/35/08/951583508.db2.gz CDCVPBFAXJWEBU-NSHDSACASA-N 0 1 384.448 0.508 20 0 GCADMN C[C@@H](CNC(=O)c1noc2c1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575066987 951601284 /nfs/dbraw/zinc/60/12/84/951601284.db2.gz OMIWOPVWXFCTGM-SNVBAGLBSA-N 0 1 383.416 0.423 20 0 GCADMN C[C@H](CNC(=O)c1ncnc2[nH]ccc21)CNc1ccncc1-c1nn[nH]n1 ZINC001575067118 951601301 /nfs/dbraw/zinc/60/13/01/951601301.db2.gz IKJYURTURSBJQP-JTQLQIEISA-N 0 1 378.400 0.385 20 0 GCADMN C[C@@H](CNC(=O)c1nn(C)cc1Cl)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575066941 951601709 /nfs/dbraw/zinc/60/17/09/951601709.db2.gz NUKAZVZTQMEPSY-QMMMGPOBSA-N 0 1 376.812 0.298 20 0 GCADMN O=C([O-])C[NH+]1CCC(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC001595076586 951647487 /nfs/dbraw/zinc/64/74/87/951647487.db2.gz DTTFGDWUHHRULT-GOSISDBHSA-N 0 1 390.484 0.254 20 0 GCADMN C[C@@H](CNCc1cc2n(n1)CCCC2)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080051 951702473 /nfs/dbraw/zinc/70/24/73/951702473.db2.gz JVIHQUQBYWOKMT-LBPRGKRZSA-N 0 1 383.460 0.978 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H]1CCNC1=O ZINC001575088674 951741644 /nfs/dbraw/zinc/74/16/44/951741644.db2.gz AFGRZMKYHOLOPB-DGCLKSJQSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575089145 951748132 /nfs/dbraw/zinc/74/81/32/951748132.db2.gz FBOHMQKNPKCAPL-BXUZGUMPSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCn1cnnn1 ZINC001575090101 951757134 /nfs/dbraw/zinc/75/71/34/951757134.db2.gz JNERKWRUHQQDGF-NSHDSACASA-N 0 1 388.411 0.019 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575090656 951762169 /nfs/dbraw/zinc/76/21/69/951762169.db2.gz MZQCVEVYSHKFCG-SMDDNHRTSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CN1CCCC1=O ZINC001575091151 951769667 /nfs/dbraw/zinc/76/96/67/951769667.db2.gz PPZHMQLDWKBDSC-LBPRGKRZSA-N 0 1 389.435 0.565 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)C1=O ZINC001595091289 951776866 /nfs/dbraw/zinc/77/68/66/951776866.db2.gz PCONAEVADRBPDA-HZSPNIEDSA-N 0 1 384.502 0.331 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)C1=O ZINC001595091291 951777572 /nfs/dbraw/zinc/77/75/72/951777572.db2.gz PCONAEVADRBPDA-MELADBBJSA-N 0 1 384.502 0.331 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575091521 951777855 /nfs/dbraw/zinc/77/78/55/951777855.db2.gz TZZZABHOXKEYEF-JTQLQIEISA-N 0 1 386.391 0.339 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CNC(=O)C1CC1 ZINC001575091548 951778777 /nfs/dbraw/zinc/77/87/77/951778777.db2.gz UTYAVCNFQAKZEW-NSHDSACASA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575098427 951824357 /nfs/dbraw/zinc/82/43/57/951824357.db2.gz CYICMONQRSIAKR-MNOVXSKESA-N 0 1 378.458 0.818 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575098427 951824366 /nfs/dbraw/zinc/82/43/66/951824366.db2.gz CYICMONQRSIAKR-MNOVXSKESA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098686 951826310 /nfs/dbraw/zinc/82/63/10/951826310.db2.gz FDFAMACOPIMLLQ-MNOVXSKESA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098686 951826315 /nfs/dbraw/zinc/82/63/15/951826315.db2.gz FDFAMACOPIMLLQ-MNOVXSKESA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cnn(C)n1 ZINC001575098975 951827933 /nfs/dbraw/zinc/82/79/33/951827933.db2.gz GNBQJSCBWRWQLQ-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cnn(C)n1 ZINC001575098975 951827942 /nfs/dbraw/zinc/82/79/42/951827942.db2.gz GNBQJSCBWRWQLQ-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099374 951833727 /nfs/dbraw/zinc/83/37/27/951833727.db2.gz KXEXRHNYITWFBB-JTQLQIEISA-N 0 1 390.473 0.121 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099374 951833736 /nfs/dbraw/zinc/83/37/36/951833736.db2.gz KXEXRHNYITWFBB-JTQLQIEISA-N 0 1 390.473 0.121 20 0 GCADMN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099401 951835730 /nfs/dbraw/zinc/83/57/30/951835730.db2.gz LIZMNRKPWBGCAU-DIFFPNOSSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099401 951835740 /nfs/dbraw/zinc/83/57/40/951835740.db2.gz LIZMNRKPWBGCAU-DIFFPNOSSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575099926 951842924 /nfs/dbraw/zinc/84/29/24/951842924.db2.gz QFDIXSGPQQUFPU-QWRGUYRKSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575099926 951842931 /nfs/dbraw/zinc/84/29/31/951842931.db2.gz QFDIXSGPQQUFPU-QWRGUYRKSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCCn1cncn1 ZINC001575101060 951851426 /nfs/dbraw/zinc/85/14/26/951851426.db2.gz YQIFQWISXMSLME-LBPRGKRZSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCCn1cncn1 ZINC001575101060 951851434 /nfs/dbraw/zinc/85/14/34/951851434.db2.gz YQIFQWISXMSLME-LBPRGKRZSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101087 951853548 /nfs/dbraw/zinc/85/35/48/951853548.db2.gz ZGHKFEWPBPOSNA-NEPJUHHUSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101087 951853555 /nfs/dbraw/zinc/85/35/55/951853555.db2.gz ZGHKFEWPBPOSNA-NEPJUHHUSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cccn(C)c1=O ZINC001575101688 951861731 /nfs/dbraw/zinc/86/17/31/951861731.db2.gz IKOHDXZGTSENJP-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cccn(C)c1=O ZINC001575101688 951861736 /nfs/dbraw/zinc/86/17/36/951861736.db2.gz IKOHDXZGTSENJP-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575102733 951871861 /nfs/dbraw/zinc/87/18/61/951871861.db2.gz PPSMLOOWIKZINA-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccn(C)c(=O)c1 ZINC001575102733 951871868 /nfs/dbraw/zinc/87/18/68/951871868.db2.gz PPSMLOOWIKZINA-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cccc(=O)n1C ZINC001575104346 951885790 /nfs/dbraw/zinc/88/57/90/951885790.db2.gz ZUURKGNBVKSVDX-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cccc(=O)n1C ZINC001575104346 951885797 /nfs/dbraw/zinc/88/57/97/951885797.db2.gz ZUURKGNBVKSVDX-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CNCc1nn(C)cc1Cl)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116534 951970915 /nfs/dbraw/zinc/97/09/15/951970915.db2.gz DKJGKDALLVQDTK-SECBINFHSA-N 0 1 377.840 0.737 20 0 GCADMN C[C@@H](CNCc1ncnn1C(C)(C)C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116547 951972769 /nfs/dbraw/zinc/97/27/69/951972769.db2.gz DREXDWQMLQXIMR-NSHDSACASA-N 0 1 386.464 0.697 20 0 GCADMN C[C@@H](CNCc1ncnn1C(C)(C)C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575116846 951975491 /nfs/dbraw/zinc/97/54/91/951975491.db2.gz JFRVJBWUEHUBGW-NSHDSACASA-N 0 1 386.464 0.697 20 0 GCADMN C[C@H](CNCc1nnnn1C(C)(C)C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575119610 951988994 /nfs/dbraw/zinc/98/89/94/951988994.db2.gz YNIXSENWEBSYFD-SNVBAGLBSA-N 0 1 387.452 0.092 20 0 GCADMN O=C([O-])Cn1cc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)nn1 ZINC001595143250 952098868 /nfs/dbraw/zinc/09/88/68/952098868.db2.gz XACVNBQACHSQIU-UHFFFAOYSA-N 0 1 386.456 0.300 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575133292 952102804 /nfs/dbraw/zinc/10/28/04/952102804.db2.gz DIPCORZVTULUEG-UGSOOPFHSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCCOCC1)C1CC1 ZINC001575137440 952138854 /nfs/dbraw/zinc/13/88/54/952138854.db2.gz ZFDOCBSZNXLFHA-XIKOKIGWSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575139713 952140402 /nfs/dbraw/zinc/14/04/02/952140402.db2.gz BDSVKAWKNUKTPE-KRWDZBQOSA-N 0 1 383.391 0.623 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001575139754 952140658 /nfs/dbraw/zinc/14/06/58/952140658.db2.gz BNCROBXYJOCRMF-UONOGXRCSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139754 952140660 /nfs/dbraw/zinc/14/06/60/952140660.db2.gz BNCROBXYJOCRMF-UONOGXRCSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139754 952140663 /nfs/dbraw/zinc/14/06/63/952140663.db2.gz BNCROBXYJOCRMF-UONOGXRCSA-N 0 1 387.492 0.600 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575139784 952142498 /nfs/dbraw/zinc/14/24/98/952142498.db2.gz CAZGCPBCHMPVLB-OLZOCXBDSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575143379 952152472 /nfs/dbraw/zinc/15/24/72/952152472.db2.gz AAZSEQIEFAICNC-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(c2ccccn2)CC1 ZINC001575143412 952153631 /nfs/dbraw/zinc/15/36/31/952153631.db2.gz PJKLUUBIZAPDJF-LBPRGKRZSA-N 0 1 379.428 0.464 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575143688 952155794 /nfs/dbraw/zinc/15/57/94/952155794.db2.gz CCBRQGAGVANRRV-JTQLQIEISA-N 0 1 382.432 0.262 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575143814 952158123 /nfs/dbraw/zinc/15/81/23/952158123.db2.gz CSSTWKBSNUXRHN-SNVBAGLBSA-N 0 1 383.416 0.592 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1coc(C2CCC2)n1 ZINC001575144044 952161187 /nfs/dbraw/zinc/16/11/87/952161187.db2.gz FSVMCSNVVJDLLF-SNVBAGLBSA-N 0 1 383.416 0.907 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CO[C@H]1CCOC1)C1CC1 ZINC001575144625 952169364 /nfs/dbraw/zinc/16/93/64/952169364.db2.gz JPVPZYNTCYRXAV-SCLBCKFNSA-N 0 1 387.444 0.186 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575144797 952172584 /nfs/dbraw/zinc/17/25/84/952172584.db2.gz LSMDMZLEYLMHAS-JTQLQIEISA-N 0 1 382.432 0.262 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575144875 952173942 /nfs/dbraw/zinc/17/39/42/952173942.db2.gz MYXOFBWEXQIGKX-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2cncn2C1 ZINC001575145016 952177379 /nfs/dbraw/zinc/17/73/79/952177379.db2.gz 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MTEZUXYHXHBDHC-NWDGAFQWSA-N 0 1 380.416 0.224 20 0 GCADMN C[C@@]12CN(C(=O)c3ccn[nH]3)C[C@]1(C)CN(c1cncc(-c3nn[nH]n3)n1)C2 ZINC001571162454 952744473 /nfs/dbraw/zinc/74/44/73/952744473.db2.gz UPUDEKOWCKVHTH-CALCHBBNSA-N 0 1 380.416 0.368 20 0 GCADMN Cc1ncc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)[nH]1 ZINC001571165001 952745898 /nfs/dbraw/zinc/74/58/98/952745898.db2.gz AQNKPBJOZDBVAH-NEPJUHHUSA-N 0 1 380.416 0.263 20 0 GCADMN Cc1ncc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)[nH]1 ZINC001571165004 952746122 /nfs/dbraw/zinc/74/61/22/952746122.db2.gz AQNKPBJOZDBVAH-RYUDHWBXSA-N 0 1 380.416 0.263 20 0 GCADMN Cc1nccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)n1 ZINC001571165160 952748644 /nfs/dbraw/zinc/74/86/44/952748644.db2.gz DLOBDYOFOWTGFX-JQWIXIFHSA-N 0 1 380.416 0.282 20 0 GCADMN Cc1nn[nH]c1C(=O)N1[C@@H]2CC[C@H]1CN(c1ccc(-c3nn[nH]n3)c(C)n1)C2 ZINC001571165506 952751923 /nfs/dbraw/zinc/75/19/23/952751923.db2.gz IOFZQRNVLMWEKJ-TXEJJXNPSA-N 0 1 380.416 0.490 20 0 GCADMN Cc1nc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2nc[nH]n2)ccc1-c1nn[nH]n1 ZINC001571166184 952758866 /nfs/dbraw/zinc/75/88/66/952758866.db2.gz PMJYTBOKEBRIFU-RYUDHWBXSA-N 0 1 380.416 0.111 20 0 GCADMN Cc1ncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c(C)n1 ZINC001571166260 952760145 /nfs/dbraw/zinc/76/01/45/952760145.db2.gz QKSOBNBITRTLKK-GWCFXTLKSA-N 0 1 380.416 0.201 20 0 GCADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCc2n[nH]cc21 ZINC001571166482 952761919 /nfs/dbraw/zinc/76/19/19/952761919.db2.gz SHWWPIJRZMECKX-WDEREUQCSA-N 0 1 380.416 0.195 20 0 GCADMN Cc1cnn(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571166982 952767351 /nfs/dbraw/zinc/76/73/51/952767351.db2.gz ZUUNAZMHAGAZJK-WOPDTQHZSA-N 0 1 380.416 0.238 20 0 GCADMN C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(CCO[C@H]2CC2(F)F)C1 ZINC001571170351 952784718 /nfs/dbraw/zinc/78/47/18/952784718.db2.gz HHMOHFOTDDTHEU-RNCFNFMXSA-N 0 1 381.387 0.669 20 0 GCADMN CCc1noc(C)c1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571170701 952788730 /nfs/dbraw/zinc/78/87/30/952788730.db2.gz KQWKZIJNLOYOKP-QWRGUYRKSA-N 0 1 381.400 0.619 20 0 GCADMN CCc1ocnc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571171109 952791832 /nfs/dbraw/zinc/79/18/32/952791832.db2.gz OXTBTQNRHDCITD-PHIMTYICSA-N 0 1 381.400 0.416 20 0 GCADMN Cc1nn[nH]c1C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571171520 952793836 /nfs/dbraw/zinc/79/38/36/952793836.db2.gz BJGKMCRZTOZFAO-LURJTMIESA-N 0 1 380.825 0.412 20 0 GCADMN C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(CCO[C@H]2CC2(F)F)C1 ZINC001571171885 952798911 /nfs/dbraw/zinc/79/89/11/952798911.db2.gz YSHAPOZYNMTQGJ-ZANVPECISA-N 0 1 381.387 0.669 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001571172001 952800269 /nfs/dbraw/zinc/80/02/69/952800269.db2.gz ZZZKCPAJHPDKII-GXSJLCMTSA-N 0 1 381.400 0.659 20 0 GCADMN O=S(=O)(c1cccc(-c2nn[nH]n2)c1Cl)N1CC[C@@H](c2nc[nH]n2)C1 ZINC001571172216 952803740 /nfs/dbraw/zinc/80/37/40/952803740.db2.gz PMAFAXFIYWKCOP-MRVPVSSYSA-N 0 1 380.821 0.816 20 0 GCADMN O=C(Cc1cnoc1)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571172518 952807199 /nfs/dbraw/zinc/80/71/99/952807199.db2.gz WAJXPPLSOHEKEA-QMMMGPOBSA-N 0 1 380.821 0.902 20 0 GCADMN Cn1nccc1C[C@@H]1CCCN1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC001571172563 952807850 /nfs/dbraw/zinc/80/78/50/952807850.db2.gz XFQPOQWCRQMYAW-KRWDZBQOSA-N 0 1 380.456 0.924 20 0 GCADMN COc1cnc(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)nc1 ZINC001571174912 952816735 /nfs/dbraw/zinc/81/67/35/952816735.db2.gz MRIMNWQEMMLQME-UHFFFAOYSA-N 0 1 381.400 0.197 20 0 GCADMN Cc1cc(N2CC[C@@H](N(C)C(=O)c3cn[nH]c(=O)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175309 952820150 /nfs/dbraw/zinc/82/01/50/952820150.db2.gz SAVCCCLYVWIQIR-GFCCVEGCSA-N 0 1 381.400 0.417 20 0 GCADMN O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)c1ccon1 ZINC001571175350 952820455 /nfs/dbraw/zinc/82/04/55/952820455.db2.gz BDFGDHWHGXGNPS-IJLUTSLNSA-N 0 1 381.400 0.680 20 0 GCADMN O=C(N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccc(=O)[nH]1 ZINC001571175395 952820516 /nfs/dbraw/zinc/82/05/16/952820516.db2.gz BZVHYXIYJGKRDA-GHMZBOCLSA-N 0 1 381.400 0.190 20 0 GCADMN O=C(N[C@H]1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1ccc(=O)[nH]n1 ZINC001571175372 952821232 /nfs/dbraw/zinc/82/12/32/952821232.db2.gz BNDCZJKESJMCCG-PWSUYJOCSA-N 0 1 381.400 0.190 20 0 GCADMN COc1cccc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571175578 952822070 /nfs/dbraw/zinc/82/20/70/952822070.db2.gz VPLSNJUNEUONAY-UHFFFAOYSA-N 0 1 381.400 0.103 20 0 GCADMN CN(C[C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571175637 952824086 /nfs/dbraw/zinc/82/40/86/952824086.db2.gz XZLQWRLXXWXRRC-LLVKDONJSA-N 0 1 381.400 0.356 20 0 GCADMN Cc1nocc1C(=O)N[C@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571175903 952826547 /nfs/dbraw/zinc/82/65/47/952826547.db2.gz HJQOISPPCVGXKF-SJCJKPOMSA-N 0 1 381.400 0.885 20 0 GCADMN COc1cccnc1C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571175781 952827113 /nfs/dbraw/zinc/82/71/13/952827113.db2.gz ZRBBJAABJISZTN-NSHDSACASA-N 0 1 381.400 0.459 20 0 GCADMN Cc1noc(C)c1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571176161 952828966 /nfs/dbraw/zinc/82/89/66/952828966.db2.gz MVHODINTIWWXAV-TXEJJXNPSA-N 0 1 381.400 0.470 20 0 GCADMN Cc1noc(C)c1CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571176295 952829230 /nfs/dbraw/zinc/82/92/30/952829230.db2.gz OHTNPUPNNOWJCA-JYAVWHMHSA-N 0 1 381.400 0.055 20 0 GCADMN Cc1conc1C(=O)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571176584 952833005 /nfs/dbraw/zinc/83/30/05/952833005.db2.gz VGYXUMRPGOUIIU-VXGBXAGGSA-N 0 1 381.400 0.837 20 0 GCADMN O=C(NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1ncoc1C1CC1 ZINC001571176921 952836037 /nfs/dbraw/zinc/83/60/37/952836037.db2.gz ZSNPYEBALAXQBG-LLVKDONJSA-N 0 1 381.400 0.921 20 0 GCADMN O=C(c1ccon1)N1C[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C1 ZINC001571178287 952837522 /nfs/dbraw/zinc/83/75/22/952837522.db2.gz FIELRGRWPMBQON-QJPTWQEYSA-N 0 1 381.400 0.419 20 0 GCADMN O=C([C@@H]1CCC(=O)N1)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571179376 952852195 /nfs/dbraw/zinc/85/21/95/952852195.db2.gz CETFYXBKYJMIOO-XHSDSOJGSA-N 0 1 381.440 0.321 20 0 GCADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1)n1cccc1 ZINC001571179424 952853930 /nfs/dbraw/zinc/85/39/30/952853930.db2.gz DNSXKEMUVDQBDB-HZSPNIEDSA-N 0 1 381.444 0.648 20 0 GCADMN CC(C)c1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n(C)n1 ZINC001571180938 952861477 /nfs/dbraw/zinc/86/14/77/952861477.db2.gz ROTXPMUQLFPXAL-GFCCVEGCSA-N 0 1 381.444 0.867 20 0 GCADMN CCCn1nccc1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571183535 952880133 /nfs/dbraw/zinc/88/01/33/952880133.db2.gz CWPOBCPXZUHXBX-ZDUSSCGKSA-N 0 1 381.444 0.925 20 0 GCADMN CCCc1[nH]ccc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571183732 952882617 /nfs/dbraw/zinc/88/26/17/952882617.db2.gz IHEHYVHNYWXFPI-HAQNSBGRSA-N 0 1 381.444 0.980 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571183871 952884930 /nfs/dbraw/zinc/88/49/30/952884930.db2.gz LLRMMJRCWMIVQF-DOMZBBRYSA-N 0 1 381.444 0.901 20 0 GCADMN CCc1c(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571183919 952885696 /nfs/dbraw/zinc/88/56/96/952885696.db2.gz MUNHEFRGTKBLKX-GFCCVEGCSA-N 0 1 381.444 0.909 20 0 GCADMN C[C@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571184109 952887790 /nfs/dbraw/zinc/88/77/90/952887790.db2.gz QQQOFCLHIWJQDH-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN CCc1cc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nn1C ZINC001571184213 952889493 /nfs/dbraw/zinc/88/94/93/952889493.db2.gz UCSKDSBFLLCEGI-NWDGAFQWSA-N 0 1 381.444 0.695 20 0 GCADMN CCCn1cc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571184208 952889602 /nfs/dbraw/zinc/88/96/02/952889602.db2.gz TWNBETXRUUQKNK-CYBMUJFWSA-N 0 1 381.444 0.864 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001571184359 952892754 /nfs/dbraw/zinc/89/27/54/952892754.db2.gz XMVXZWDUQXFPBS-LRDDRELGSA-N 0 1 381.444 0.912 20 0 GCADMN Cc1c(C(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)nnn1C ZINC001571184817 952897345 /nfs/dbraw/zinc/89/73/45/952897345.db2.gz DMTRVXXCOAYSEV-CQSZACIVSA-N 0 1 381.444 0.698 20 0 GCADMN Cc1c(CC(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cnn1C ZINC001571185032 952900312 /nfs/dbraw/zinc/90/03/12/952900312.db2.gz GYOARAGIZQFGDQ-CQSZACIVSA-N 0 1 381.444 0.371 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c(C)[nH]1 ZINC001571185484 952901875 /nfs/dbraw/zinc/90/18/75/952901875.db2.gz MGPVKNVYYARKGC-GXFFZTMASA-N 0 1 381.444 0.844 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c(C)[nH]1 ZINC001571185469 952901889 /nfs/dbraw/zinc/90/18/89/952901889.db2.gz MGPVKNVYYARKGC-GWCFXTLKSA-N 0 1 381.444 0.844 20 0 GCADMN CCn1cnc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C(C)(C)C2)c1 ZINC001571185831 952903972 /nfs/dbraw/zinc/90/39/72/952903972.db2.gz QIKWACKXTBDNEE-OAHLLOKOSA-N 0 1 381.444 0.863 20 0 GCADMN CCn1ncc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1C ZINC001571185800 952904453 /nfs/dbraw/zinc/90/44/53/952904453.db2.gz PZXXOQFOBAKXAS-CYBMUJFWSA-N 0 1 381.444 0.843 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@H](CCNc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571187668 952908958 /nfs/dbraw/zinc/90/89/58/952908958.db2.gz ALZAAGJVRPFMFD-AWEZNQCLSA-N 0 1 381.444 0.539 20 0 GCADMN Cc1cc(N[C@@H]2CCCC[C@H]2NC(=O)c2cn(C)cn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187735 952909826 /nfs/dbraw/zinc/90/98/26/952909826.db2.gz BHTGQGLDJDZXSP-ZIAGYGMSSA-N 0 1 381.444 0.879 20 0 GCADMN Cc1cc(N[C@H](C)[C@H]2CCN(C(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187786 952910240 /nfs/dbraw/zinc/91/02/40/952910240.db2.gz BZSNTJLOZXXLGM-KGLIPLIRSA-N 0 1 381.444 0.538 20 0 GCADMN Cc1cc(NC[C@H]2CCCN(C(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188115 952910888 /nfs/dbraw/zinc/91/08/88/952910888.db2.gz FQHRBSJVNPQUMI-CQSZACIVSA-N 0 1 381.444 0.539 20 0 GCADMN Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)c2cncn2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188366 952913793 /nfs/dbraw/zinc/91/37/93/952913793.db2.gz JIUYNANUTLABDA-TZMCWYRMSA-N 0 1 381.444 0.736 20 0 GCADMN Cc1cnc(CNC[C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)nc1 ZINC001571188338 952913798 /nfs/dbraw/zinc/91/37/98/952913798.db2.gz IXNHRJWXWWYDCE-GXTWGEPZSA-N 0 1 381.444 0.791 20 0 GCADMN Cc1cc(N(C)C[C@@H]2CCN(C(=O)c3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188422 952914193 /nfs/dbraw/zinc/91/41/93/952914193.db2.gz KMWZLVRTGQZMDQ-ZDUSSCGKSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1cnn(CC(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571188444 952915020 /nfs/dbraw/zinc/91/50/20/952915020.db2.gz KVYRIGZVUWEOLX-HDJSIYSDSA-N 0 1 381.444 0.504 20 0 GCADMN Cc1ccc(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)n1C ZINC001571188567 952917685 /nfs/dbraw/zinc/91/76/85/952917685.db2.gz LFKQFECHGNGPIH-ZDUSSCGKSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C)n1C ZINC001571188868 952921776 /nfs/dbraw/zinc/92/17/76/952921776.db2.gz OLPBUDISUFNMQZ-BETUJISGSA-N 0 1 381.444 0.654 20 0 GCADMN Cn1cncc1CC(=O)N[C@@H]1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571188984 952922494 /nfs/dbraw/zinc/92/24/94/952922494.db2.gz LECBHLQERHGVON-SWLSCSKDSA-N 0 1 381.444 0.357 20 0 GCADMN Cc1cc(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571189107 952923598 /nfs/dbraw/zinc/92/35/98/952923598.db2.gz SEIGMAKRAQRRRB-ZDUSSCGKSA-N 0 1 381.444 0.963 20 0 GCADMN Cc1cc(NC[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189095 952923839 /nfs/dbraw/zinc/92/38/39/952923839.db2.gz RVWKEXPRFSEADG-WCQYABFASA-N 0 1 381.444 0.546 20 0 GCADMN Cc1nn(C)cc1C(=O)N1CCC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189274 952927985 /nfs/dbraw/zinc/92/79/85/952927985.db2.gz UIWKCQQKGWKTJW-CYBMUJFWSA-N 0 1 381.444 0.751 20 0 GCADMN Cc1cc(C(=O)N(C)C2CC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n(C)n1 ZINC001571189354 952928881 /nfs/dbraw/zinc/92/88/81/952928881.db2.gz VJXQLBFZQAAPRP-UHFFFAOYSA-N 0 1 381.444 0.749 20 0 GCADMN Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571189383 952929235 /nfs/dbraw/zinc/92/92/35/952929235.db2.gz VWYOOEZJMSLKPL-BETUJISGSA-N 0 1 381.444 0.683 20 0 GCADMN Cn1nccc1CN1CC[C@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@H]12 ZINC001571189404 952929546 /nfs/dbraw/zinc/92/95/46/952929546.db2.gz QZHPFYDTCNCTEV-MAUKXSAKSA-N 0 1 381.444 0.855 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)Cc3ncc[nH]3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189493 952929653 /nfs/dbraw/zinc/92/96/53/952929653.db2.gz WAIFHOCXIPEOGI-AWEZNQCLSA-N 0 1 381.444 0.607 20 0 GCADMN Cc1cc(NC[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189554 952930704 /nfs/dbraw/zinc/93/07/04/952930704.db2.gz XDWORQCURARXSE-ZDUSSCGKSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1cc(C)n(CC(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)n1 ZINC001571189647 952932213 /nfs/dbraw/zinc/93/22/13/952932213.db2.gz ZOUPQKPFRZVQGF-JSGCOSHPSA-N 0 1 381.444 0.598 20 0 GCADMN Cn1nncc1C(=O)NC[C@H]1CCCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571189826 952935944 /nfs/dbraw/zinc/93/59/44/952935944.db2.gz WEOPOXFGOAQYBH-CQSZACIVSA-N 0 1 381.444 0.780 20 0 GCADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@@H]1CNCc1cc2n(n1)CCC2 ZINC001571189830 952936048 /nfs/dbraw/zinc/93/60/48/952936048.db2.gz WFWBOVZMCHXKLG-OAHLLOKOSA-N 0 1 381.444 0.732 20 0 GCADMN Cn1cc(CCC(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571189891 952936439 /nfs/dbraw/zinc/93/64/39/952936439.db2.gz YOBMHMSZJLDZEA-CQSZACIVSA-N 0 1 381.444 0.453 20 0 GCADMN O=C(CCc1ccccc1F)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571196946 952986257 /nfs/dbraw/zinc/98/62/57/952986257.db2.gz QPUWOCDCWXWFJM-CYBMUJFWSA-N 0 1 382.403 0.863 20 0 GCADMN COc1ccnc(CN[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)c1 ZINC001571198726 952992270 /nfs/dbraw/zinc/99/22/70/952992270.db2.gz DWWPOUZXASOBRN-LBPRGKRZSA-N 0 1 382.428 0.993 20 0 GCADMN CCOc1cc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]n1 ZINC001571199686 953003423 /nfs/dbraw/zinc/00/34/23/953003423.db2.gz ZBEFJLFMNVQUFL-AWEZNQCLSA-N 0 1 382.428 0.993 20 0 GCADMN C[C@@H]1CN(C(=O)Cc2ccco2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571202516 953026808 /nfs/dbraw/zinc/02/68/08/953026808.db2.gz ZSJSVYFKKBBNJS-OLZOCXBDSA-N 0 1 382.428 0.811 20 0 GCADMN Cc1cc(NC[C@@H]2CCN(C(=O)CCc3ccon3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202629 953027832 /nfs/dbraw/zinc/02/78/32/953027832.db2.gz WPEXXAOZONMYHB-ZDUSSCGKSA-N 0 1 382.428 0.873 20 0 GCADMN C[C@H]1CN(C(=O)c2cnn(C)c2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571204546 953030373 /nfs/dbraw/zinc/03/03/73/953030373.db2.gz ASPUCLWWAAFWDD-NWDGAFQWSA-N 0 1 382.432 0.022 20 0 GCADMN CCCn1nccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571204563 953030495 /nfs/dbraw/zinc/03/04/95/953030495.db2.gz BEYLDOFRUGCCBJ-GFCCVEGCSA-N 0 1 382.432 0.662 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)[nH]n1 ZINC001571204613 953030896 /nfs/dbraw/zinc/03/08/96/953030896.db2.gz BMYUQNYWAIRHNQ-ZYHUDNBSSA-N 0 1 382.432 0.730 20 0 GCADMN CC(C)c1nc(CN2C[C@@H]3C[C@H]2CN3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 ZINC001571204664 953031143 /nfs/dbraw/zinc/03/11/43/953031143.db2.gz BEDBESBDXSBLDP-QWRGUYRKSA-N 0 1 382.432 0.535 20 0 GCADMN Cc1nnc(CC(=O)N[C@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)o1 ZINC001571205374 953037469 /nfs/dbraw/zinc/03/74/69/953037469.db2.gz IJMULHADHZBUHV-HNNXBMFYSA-N 0 1 382.428 0.881 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205514 953038674 /nfs/dbraw/zinc/03/86/74/953038674.db2.gz KYTRLNAPHFNJMF-KRWDZBQOSA-N 0 1 382.432 0.328 20 0 GCADMN CCn1nncc1C(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571205758 953042653 /nfs/dbraw/zinc/04/26/53/953042653.db2.gz ALKQRSWNHJUHCI-UHFFFAOYSA-N 0 1 382.432 0.224 20 0 GCADMN CN(c1ncccc1-c1nn[nH]n1)C1CCN(C(=O)CCc2nc[nH]n2)CC1 ZINC001571205869 953043606 /nfs/dbraw/zinc/04/36/06/953043606.db2.gz CMIWUEJVEKJCSG-UHFFFAOYSA-N 0 1 382.432 0.440 20 0 GCADMN CCc1nc[nH]c1C(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206010 953045657 /nfs/dbraw/zinc/04/56/57/953045657.db2.gz QSNBEFIMDACFJO-QWRGUYRKSA-N 0 1 382.432 0.517 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)c2cnn(C)c2C)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571206096 953047423 /nfs/dbraw/zinc/04/74/23/953047423.db2.gz RTQKCSFVZQLCNP-QWHCGFSZSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1noc(C)c1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H]1C ZINC001571206302 953049373 /nfs/dbraw/zinc/04/93/73/953049373.db2.gz OEMGMMXFDOUMID-XHDPSFHLSA-N 0 1 382.428 0.932 20 0 GCADMN C[C@@H](NC(=O)c1ccn(C)n1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571206423 953050817 /nfs/dbraw/zinc/05/08/17/953050817.db2.gz GUHUVVIWVYPPIW-LLVKDONJSA-N 0 1 382.432 0.425 20 0 GCADMN Cc1ncc(CC(=O)N2CC[C@H]([C@@H](C)Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571206572 953053203 /nfs/dbraw/zinc/05/32/03/953053203.db2.gz RACDWFVDDONZLP-YPMHNXCESA-N 0 1 382.428 0.872 20 0 GCADMN Cc1c(C(=O)N2CC[C@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)nnn1C ZINC001571206854 953056163 /nfs/dbraw/zinc/05/61/63/953056163.db2.gz LLBIPKDFUPGBRB-GFCCVEGCSA-N 0 1 382.432 0.297 20 0 GCADMN CCc1nc(-c2nn[nH]n2)cc(N(C)C[C@@H]2CCCN2C(=O)c2ccn[nH]2)n1 ZINC001571206893 953057120 /nfs/dbraw/zinc/05/71/20/953057120.db2.gz YTSDNBHTUGGRSG-NSHDSACASA-N 0 1 382.432 0.683 20 0 GCADMN C[C@H]1CN(C(=O)CCc2c[nH]nn2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571207019 953058246 /nfs/dbraw/zinc/05/82/46/953058246.db2.gz ZUBNNWDGDAPFBD-AAEUAGOBSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571207019 953058252 /nfs/dbraw/zinc/05/82/52/953058252.db2.gz ZUBNNWDGDAPFBD-AAEUAGOBSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571207020 953058327 /nfs/dbraw/zinc/05/83/27/953058327.db2.gz ZUBNNWDGDAPFBD-DGCLKSJQSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571207020 953058331 /nfs/dbraw/zinc/05/83/31/953058331.db2.gz ZUBNNWDGDAPFBD-DGCLKSJQSA-N 0 1 382.432 0.519 20 0 GCADMN CCn1ncc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1C ZINC001571207271 953060670 /nfs/dbraw/zinc/06/06/70/953060670.db2.gz PIWZUAOYOWZVJH-PWSUYJOCSA-N 0 1 382.432 0.319 20 0 GCADMN CCn1ncc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)c1C ZINC001571207269 953060735 /nfs/dbraw/zinc/06/07/35/953060735.db2.gz PIWZUAOYOWZVJH-CMPLNLGQSA-N 0 1 382.432 0.319 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(NC2(C)CCN(C(=O)Cc3ccn[nH]3)CC2)n1 ZINC001571207232 953060898 /nfs/dbraw/zinc/06/08/98/953060898.db2.gz OTXJRACJLQVABG-UHFFFAOYSA-N 0 1 382.432 0.724 20 0 GCADMN CCn1ccnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571207236 953061035 /nfs/dbraw/zinc/06/10/35/953061035.db2.gz OUHSBNZFIRMBSO-RYUDHWBXSA-N 0 1 382.432 0.660 20 0 GCADMN Cc1c[nH]nc1C(=O)NC[C@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571207256 953061124 /nfs/dbraw/zinc/06/11/24/953061124.db2.gz PBWWYKVVTKSVMT-GFCCVEGCSA-N 0 1 382.432 0.867 20 0 GCADMN Cc1n[nH]cc1C(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571207289 953061868 /nfs/dbraw/zinc/06/18/68/953061868.db2.gz PNTJWQYHOOOHDF-ZWNOBZJWSA-N 0 1 382.432 0.463 20 0 GCADMN O=C(C1=CCCC1)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001571207363 953062835 /nfs/dbraw/zinc/06/28/35/953062835.db2.gz YQLJQWDLINZUJT-GOSISDBHSA-N 0 1 382.428 0.575 20 0 GCADMN CN(c1ccc(-c2nn[nH]n2)cn1)C1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC001571207615 953065165 /nfs/dbraw/zinc/06/51/65/953065165.db2.gz XYCPBFQNHHTKBH-UHFFFAOYSA-N 0 1 382.432 0.440 20 0 GCADMN CN(c1ccc(-c2nn[nH]n2)cn1)C1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC001571207615 953065168 /nfs/dbraw/zinc/06/51/68/953065168.db2.gz XYCPBFQNHHTKBH-UHFFFAOYSA-N 0 1 382.432 0.440 20 0 GCADMN CN(Cc1n[nH]c(C2CC2)n1)[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571207626 953065405 /nfs/dbraw/zinc/06/54/05/953065405.db2.gz YICNPSPRKZIUFZ-LLVKDONJSA-N 0 1 382.432 0.537 20 0 GCADMN CCn1nc(C)c(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571207607 953065412 /nfs/dbraw/zinc/06/54/12/953065412.db2.gz XUOZBLILNTWMGZ-LBPRGKRZSA-N 0 1 382.432 0.499 20 0 GCADMN O=C(CCc1nc[nH]n1)N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571209643 953066275 /nfs/dbraw/zinc/06/62/75/953066275.db2.gz AEWWCIQDTUGZCU-ZDUSSCGKSA-N 0 1 382.432 0.806 20 0 GCADMN O=C(CCc1nc[nH]n1)N1CC[C@H](CCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571209974 953069657 /nfs/dbraw/zinc/06/96/57/953069657.db2.gz KKKIVSWSQYEQSU-LBPRGKRZSA-N 0 1 382.432 0.663 20 0 GCADMN Cn1nncc1CN1CC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 ZINC001571210144 953070506 /nfs/dbraw/zinc/07/05/06/953070506.db2.gz MIKAPWWERXXUAJ-ABAIWWIYSA-N 0 1 382.432 0.060 20 0 GCADMN Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)nn1 ZINC001571210589 953072782 /nfs/dbraw/zinc/07/27/82/953072782.db2.gz TUNRECYZRXTTDQ-JYAVWHMHSA-N 0 1 382.453 0.887 20 0 GCADMN Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)nn1 ZINC001571210589 953072785 /nfs/dbraw/zinc/07/27/85/953072785.db2.gz TUNRECYZRXTTDQ-JYAVWHMHSA-N 0 1 382.453 0.887 20 0 GCADMN Cc1cc(N2CCC[C@H](CNC(=O)c3ncn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211446 953076680 /nfs/dbraw/zinc/07/66/80/953076680.db2.gz ATZRGLOJFGUKMZ-GFCCVEGCSA-N 0 1 382.432 0.345 20 0 GCADMN Cc1nc(CN2CC[C@H]3[C@H]2CCCN3C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001571211500 953077736 /nfs/dbraw/zinc/07/77/36/953077736.db2.gz BYLSEHWJOUGASF-KGLIPLIRSA-N 0 1 382.432 0.500 20 0 GCADMN Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211686 953079627 /nfs/dbraw/zinc/07/96/27/953079627.db2.gz FRMHLPCWJYLOIN-CHWSQXEVSA-N 0 1 382.432 0.460 20 0 GCADMN Cc1cc(N(C)[C@@H]2CCN(C(=O)CCn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211829 953081647 /nfs/dbraw/zinc/08/16/47/953081647.db2.gz GRRSGSUIOQZHEC-CYBMUJFWSA-N 0 1 382.432 0.289 20 0 GCADMN Cc1ncn(C)c1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571212115 953083360 /nfs/dbraw/zinc/08/33/60/953083360.db2.gz JCVGGEACEYRLIU-NEPJUHHUSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nc(N2CC[C@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)ccc1-c1nn[nH]n1 ZINC001571213043 953092589 /nfs/dbraw/zinc/09/25/89/953092589.db2.gz PZNFDOSRARDIOZ-LBPRGKRZSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1nc(N2CC[C@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)ccc1-c1nn[nH]n1 ZINC001571213043 953092594 /nfs/dbraw/zinc/09/25/94/953092594.db2.gz PZNFDOSRARDIOZ-LBPRGKRZSA-N 0 1 382.432 0.723 20 0 GCADMN Cn1cc(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571213187 953093732 /nfs/dbraw/zinc/09/37/32/953093732.db2.gz RRTFLUQAQMUXFZ-CYBMUJFWSA-N 0 1 382.432 0.309 20 0 GCADMN CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[nH]n3)nc1)CC2 ZINC001571213258 953094681 /nfs/dbraw/zinc/09/46/81/953094681.db2.gz QLAHIUAYKZFGIH-GPMSIDNRSA-N 0 1 382.472 0.974 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[nH]n2)cn1 ZINC001571213481 953095443 /nfs/dbraw/zinc/09/54/43/953095443.db2.gz UVYPADRJCKRLRZ-ZDUSSCGKSA-N 0 1 382.432 0.819 20 0 GCADMN Cc1ccnn1CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001571214130 953099800 /nfs/dbraw/zinc/09/98/00/953099800.db2.gz YJMRMKVSAUMSTP-GFCCVEGCSA-N 0 1 382.432 0.193 20 0 GCADMN Cc1cc(NC2(C)CCN(C(=O)c3ncn(C)n3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214237 953100298 /nfs/dbraw/zinc/10/02/98/953100298.db2.gz ZQQHUZRYQCCTJS-UHFFFAOYSA-N 0 1 382.432 0.227 20 0 GCADMN Cc1cc(NC[C@H]2CC[C@@H](NC(=O)c3cn(C)nn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214239 953100420 /nfs/dbraw/zinc/10/04/20/953100420.db2.gz ZQWAPWZXTIDGLP-NWDGAFQWSA-N 0 1 382.432 0.131 20 0 GCADMN Cc1nc(CN2CC[C@@]3(NC(=O)c4c[nH]c(-c5nn[nH]n5)c4)CCC[C@H]23)n[nH]1 ZINC001571214195 953100663 /nfs/dbraw/zinc/10/06/63/953100663.db2.gz ZCUOZPJUBBUEGT-GUYCJALGSA-N 0 1 382.432 0.548 20 0 GCADMN Cc1nc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)c(C)n3)C2)n[nH]1 ZINC001571214210 953100670 /nfs/dbraw/zinc/10/06/70/953100670.db2.gz ZGRLZUYGCNIQHQ-LBPRGKRZSA-N 0 1 382.432 0.324 20 0 GCADMN C[C@@H](C(=O)Nc1cccc([C@]2(C)COC(=O)N2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001571217640 953109995 /nfs/dbraw/zinc/10/99/95/953109995.db2.gz GQPSZRUKIOYSPL-FVMDXXJSSA-N 0 1 383.372 0.613 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571218033 953113110 /nfs/dbraw/zinc/11/31/10/953113110.db2.gz KLZMRUBRBYGNEB-IUCAKERBSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571218033 953113112 /nfs/dbraw/zinc/11/31/12/953113112.db2.gz KLZMRUBRBYGNEB-IUCAKERBSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571218033 953113116 /nfs/dbraw/zinc/11/31/16/953113116.db2.gz KLZMRUBRBYGNEB-IUCAKERBSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N2CC[C@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571218033 953113117 /nfs/dbraw/zinc/11/31/17/953113117.db2.gz KLZMRUBRBYGNEB-IUCAKERBSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571218032 953113309 /nfs/dbraw/zinc/11/33/09/953113309.db2.gz KLZMRUBRBYGNEB-DTWKUNHWSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nnn[n-]3)C2)C1 ZINC001571218032 953113311 /nfs/dbraw/zinc/11/33/11/953113311.db2.gz KLZMRUBRBYGNEB-DTWKUNHWSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571218032 953113315 /nfs/dbraw/zinc/11/33/15/953113315.db2.gz KLZMRUBRBYGNEB-DTWKUNHWSA-N 0 1 382.881 0.941 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3snc(Cl)c3-c3nn[n-]n3)C2)C1 ZINC001571218032 953113316 /nfs/dbraw/zinc/11/33/16/953113316.db2.gz KLZMRUBRBYGNEB-DTWKUNHWSA-N 0 1 382.881 0.941 20 0 GCADMN O=C(c1cc(F)c[nH]1)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571218933 953120983 /nfs/dbraw/zinc/12/09/83/953120983.db2.gz HKCHQWBJVLEVAX-QGZVFWFLSA-N 0 1 383.391 0.867 20 0 GCADMN COc1ccc(CN2CC[C@@H](NC(=O)Cc3cnoc3)C2)cc1-c1nn[nH]n1 ZINC001571218980 953121684 /nfs/dbraw/zinc/12/16/84/953121684.db2.gz IPKNTWLQCPIZHA-CQSZACIVSA-N 0 1 383.412 0.797 20 0 GCADMN CCCc1cc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001571222094 953130553 /nfs/dbraw/zinc/13/05/53/953130553.db2.gz CCLRRYHWMLBQAY-ZWNOBZJWSA-N 0 1 383.416 0.592 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001571222072 953130931 /nfs/dbraw/zinc/13/09/31/953130931.db2.gz BEJZHYBSEDOPQL-WCQYABFASA-N 0 1 383.416 0.348 20 0 GCADMN CCc1nc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571222115 953131660 /nfs/dbraw/zinc/13/16/60/953131660.db2.gz CNQUUGDYEBXKLW-LLVKDONJSA-N 0 1 383.416 0.866 20 0 GCADMN CCc1nc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571222116 953131817 /nfs/dbraw/zinc/13/18/17/953131817.db2.gz CNQUUGDYEBXKLW-NSHDSACASA-N 0 1 383.416 0.866 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn[nH]2)[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571222481 953134835 /nfs/dbraw/zinc/13/48/35/953134835.db2.gz GJMQFBGNULHRIZ-PWSUYJOCSA-N 0 1 383.416 0.589 20 0 GCADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)c1[nH]cnc1C ZINC001571222678 953137769 /nfs/dbraw/zinc/13/77/69/953137769.db2.gz ISSCAWCCBNKSPP-TZMCWYRMSA-N 0 1 383.416 0.235 20 0 GCADMN CCc1oncc1C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222707 953137992 /nfs/dbraw/zinc/13/79/92/953137992.db2.gz JSCZDAHFADOTIN-KRWDZBQOSA-N 0 1 383.416 0.593 20 0 GCADMN CCc1nc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571222902 953139518 /nfs/dbraw/zinc/13/95/18/953139518.db2.gz NBKZTCZQNMALEM-WDEREUQCSA-N 0 1 383.416 0.449 20 0 GCADMN CCc1ocnc1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001571222868 953139709 /nfs/dbraw/zinc/13/97/09/953139709.db2.gz NDOMSHUUWPBYBT-LLVKDONJSA-N 0 1 383.416 0.592 20 0 GCADMN CCc1nc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571222900 953139979 /nfs/dbraw/zinc/13/99/79/953139979.db2.gz NBKZTCZQNMALEM-MNOVXSKESA-N 0 1 383.416 0.449 20 0 GCADMN CCc1oncc1C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222956 953140393 /nfs/dbraw/zinc/14/03/93/953140393.db2.gz OFJRVSGVJWPHGS-NSHDSACASA-N 0 1 383.416 0.593 20 0 GCADMN COc1ccc(CNC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001571222999 953140776 /nfs/dbraw/zinc/14/07/76/953140776.db2.gz OXDXGTKFLFBFFK-CYBMUJFWSA-N 0 1 383.416 0.388 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571223290 953143255 /nfs/dbraw/zinc/14/32/55/953143255.db2.gz SKQZLZFJJWDPEN-CABZTGNLSA-N 0 1 383.416 0.383 20 0 GCADMN CC[C@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001571223432 953144627 /nfs/dbraw/zinc/14/46/27/953144627.db2.gz RBVHWYBHHDFORI-NSHDSACASA-N 0 1 383.416 0.303 20 0 GCADMN CCc1nc(C)c(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571223819 953146724 /nfs/dbraw/zinc/14/67/24/953146724.db2.gz XUFYQUBCXMCKJX-NSHDSACASA-N 0 1 383.416 0.654 20 0 GCADMN CCc1oncc1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571223842 953146768 /nfs/dbraw/zinc/14/67/68/953146768.db2.gz YGRXQKGDDXQCMQ-UHFFFAOYSA-N 0 1 383.416 0.736 20 0 GCADMN CCc1nc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)co1 ZINC001571223794 953146783 /nfs/dbraw/zinc/14/67/83/953146783.db2.gz VQLVUTTUUOMVKR-QWRGUYRKSA-N 0 1 383.416 0.734 20 0 GCADMN CCc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571223776 953147155 /nfs/dbraw/zinc/14/71/55/953147155.db2.gz VGTCEUKLRYMQIC-MNOVXSKESA-N 0 1 383.416 0.782 20 0 GCADMN CCc1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)co1 ZINC001571223795 953147222 /nfs/dbraw/zinc/14/72/22/953147222.db2.gz VQLVUTTUUOMVKR-WDEREUQCSA-N 0 1 383.416 0.734 20 0 GCADMN COc1cncc(CNC2CC(N(C)C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571223840 953147281 /nfs/dbraw/zinc/14/72/81/953147281.db2.gz YGFXWCBLBNFFTG-UHFFFAOYSA-N 0 1 383.416 0.386 20 0 GCADMN COc1c(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cnn1C ZINC001571223886 953147651 /nfs/dbraw/zinc/14/76/51/953147651.db2.gz ZINYXVJPTJWJJB-LLVKDONJSA-N 0 1 383.416 0.142 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)no1 ZINC001571224135 953149360 /nfs/dbraw/zinc/14/93/60/953149360.db2.gz YXKXGMYOIWWWHM-ZBFHGGJFSA-N 0 1 383.412 0.528 20 0 GCADMN C[C@H]1CN(C(=O)C2=NC(=O)N(C)C2)CC[C@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571224128 953149526 /nfs/dbraw/zinc/14/95/26/953149526.db2.gz YVKRUMCTRGTBDO-CMPLNLGQSA-N 0 1 383.416 0.664 20 0 GCADMN Cc1cc(C)c(C(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)[nH]1 ZINC001571225273 953152964 /nfs/dbraw/zinc/15/29/64/953152964.db2.gz IZGSSMNFQKFEES-LBPRGKRZSA-N 0 1 383.416 0.237 20 0 GCADMN Cc1cc(NCC[C@@H]2CCCN(C(=O)c3cnon3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571225614 953153478 /nfs/dbraw/zinc/15/34/78/953153478.db2.gz LPTUYOYPWOQXLL-LBPRGKRZSA-N 0 1 383.416 0.729 20 0 GCADMN Cc1cc(CC(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001571225914 953154170 /nfs/dbraw/zinc/15/41/70/953154170.db2.gz OEYOBCRTRYRNBK-GFCCVEGCSA-N 0 1 383.416 0.268 20 0 GCADMN Cc1nc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571225674 953154479 /nfs/dbraw/zinc/15/44/79/953154479.db2.gz NGMNHWHYIZQMOS-JOYOIKCWSA-N 0 1 383.416 0.504 20 0 GCADMN Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C)[nH]n1 ZINC001571226666 953156909 /nfs/dbraw/zinc/15/69/09/953156909.db2.gz VKGURUXSPSMMFJ-ZWNOBZJWSA-N 0 1 383.416 0.188 20 0 GCADMN Cc1ncc(CC(=O)N[C@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571226979 953157534 /nfs/dbraw/zinc/15/75/34/953157534.db2.gz YGJFXTBPOWYYJQ-NEPJUHHUSA-N 0 1 383.416 0.457 20 0 GCADMN Cc1cnoc1C(=O)N[C@@H](C)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571227103 953158280 /nfs/dbraw/zinc/15/82/80/953158280.db2.gz YPKLOYGLPWQGMC-RYUDHWBXSA-N 0 1 383.416 0.988 20 0 GCADMN Cc1nonc1C(=O)N1CC[C@@H]([C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571227116 953158313 /nfs/dbraw/zinc/15/83/13/953158313.db2.gz ZEQUKMINAZGTLE-CMPLNLGQSA-N 0 1 383.416 0.646 20 0 GCADMN CN1CC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)CC2)=NC1=O ZINC001571228035 953161620 /nfs/dbraw/zinc/16/16/20/953161620.db2.gz GSSLJXYYRKIMGY-GFCCVEGCSA-N 0 1 383.416 0.490 20 0 GCADMN CN(CCC1CCN(C(=O)c2cn[nH]n2)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571228821 953166818 /nfs/dbraw/zinc/16/68/18/953166818.db2.gz VZENOVSNSAVWHK-UHFFFAOYSA-N 0 1 383.420 0.154 20 0 GCADMN Cn1c(C(=O)N[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c[nH]c1=O ZINC001571229035 953167940 /nfs/dbraw/zinc/16/79/40/953167940.db2.gz YTXPIPPKSOZXSI-GHMZBOCLSA-N 0 1 383.416 0.276 20 0 GCADMN Cc1nc(CC(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)cs1 ZINC001571230463 953177607 /nfs/dbraw/zinc/17/76/07/953177607.db2.gz DPCQVUOKGDJTTP-YABSGUDNSA-N 0 1 383.441 0.215 20 0 GCADMN CO[C@H](C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C1)C1CC1 ZINC001571231024 953182429 /nfs/dbraw/zinc/18/24/29/953182429.db2.gz QIGQTBKIIZXPQY-VBQJREDUSA-N 0 1 383.456 0.890 20 0 GCADMN 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ZINC001598611587 993785545 /nfs/dbraw/zinc/78/55/45/993785545.db2.gz YJDRIWWNMMVOMN-HNNXBMFYSA-N 0 1 383.470 0.389 20 0 GCADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599599560 993795410 /nfs/dbraw/zinc/79/54/10/993795410.db2.gz WJOLYEPYUXQMCY-SUHUHFCYSA-N 0 1 379.413 0.748 20 0 GCADMN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC001599599560 993795420 /nfs/dbraw/zinc/79/54/20/993795420.db2.gz WJOLYEPYUXQMCY-SUHUHFCYSA-N 0 1 379.413 0.748 20 0 GCADMN Cn1cc(I)c(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)[O-])C2)n1 ZINC001598612652 993809854 /nfs/dbraw/zinc/80/98/54/993809854.db2.gz VXXHKNWTGNZTCZ-MRVPVSSYSA-N 0 1 392.197 0.113 20 0 GCADMN C[NH+]1CCN([C@H](CNS(=O)(=O)CC2(C(=O)[O-])CC2)c2cccs2)CC1 ZINC001598612648 993810382 /nfs/dbraw/zinc/81/03/82/993810382.db2.gz VWZDPHYDUQSMPV-CYBMUJFWSA-N 0 1 387.527 0.821 20 0 GCADMN C[NH+]1CCN([C@@H](CNC(=O)NC[C@H]2CCO[C@H]2C(=O)[O-])c2cccs2)CC1 ZINC001598612825 993813060 /nfs/dbraw/zinc/81/30/60/993813060.db2.gz YYPWUMBWDLVORN-IJEWVQPXSA-N 0 1 396.513 0.826 20 0 GCADMN C[N@H+]1CCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)C[C@H](C(=O)[O-])C1 ZINC001598613498 993831259 /nfs/dbraw/zinc/83/12/59/993831259.db2.gz WBNVAJZOUPYBKF-CYBMUJFWSA-N 0 1 393.444 0.590 20 0 GCADMN C[NH+]1CCN(CC2(C)CCN(S(=O)(=O)c3n[nH]cc3C(=O)[O-])CC2)CC1 ZINC001598613896 993841815 /nfs/dbraw/zinc/84/18/15/993841815.db2.gz HEXDHJXVVFQLGO-UHFFFAOYSA-N 0 1 385.490 0.146 20 0 GCADMN C[N@H+]1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@@H](C(=O)[O-])C1 ZINC001598615177 993865121 /nfs/dbraw/zinc/86/51/21/993865121.db2.gz IKIBVJXVCAZZJS-HNNXBMFYSA-N 0 1 378.448 0.423 20 0 GCADMN CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001598616854 993899220 /nfs/dbraw/zinc/89/92/20/993899220.db2.gz OHPPXAOIXJUURJ-UHFFFAOYSA-N 0 1 380.420 0.558 20 0 GCADMN COc1ccc(S(=O)(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c(C(=O)[O-])c1 ZINC001599610641 993948660 /nfs/dbraw/zinc/94/86/60/993948660.db2.gz DTZUENDVWYWDGD-LBPRGKRZSA-N 0 1 386.470 0.859 20 0 GCADMN COc1ccc(S(=O)(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c(C(=O)[O-])c1 ZINC001599610641 993948667 /nfs/dbraw/zinc/94/86/67/993948667.db2.gz DTZUENDVWYWDGD-LBPRGKRZSA-N 0 1 386.470 0.859 20 0 GCADMN COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c2ncccc12 ZINC001599610891 993951580 /nfs/dbraw/zinc/95/15/80/993951580.db2.gz PGMXZHYGBYMTMZ-LBPRGKRZSA-N 0 1 379.438 0.880 20 0 GCADMN C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001598618930 993957585 /nfs/dbraw/zinc/95/75/85/993957585.db2.gz BCEXFBLQICEQIJ-QGZVFWFLSA-N 0 1 398.463 0.479 20 0 GCADMN C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)Cn2cccc(C(=O)[O-])c2=O)C1 ZINC001598618930 993957594 /nfs/dbraw/zinc/95/75/94/993957594.db2.gz BCEXFBLQICEQIJ-QGZVFWFLSA-N 0 1 398.463 0.479 20 0 GCADMN C[NH+]1CCN(Cc2ccc(C(=O)NCCC(=O)NCCC(=O)[O-])s2)CC1 ZINC001598619543 993975861 /nfs/dbraw/zinc/97/58/61/993975861.db2.gz MIQVUKHPKMFKKY-UHFFFAOYSA-N 0 1 382.486 0.206 20 0 GCADMN C[N@@H+]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@H](C(=O)[O-])C1 ZINC001598619791 993980961 /nfs/dbraw/zinc/98/09/61/993980961.db2.gz LFKCPJBJFLGAMW-CYBMUJFWSA-N 0 1 381.454 0.450 20 0 GCADMN C[N@H+]1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C[C@H](C(=O)[O-])C1 ZINC001598619791 993980968 /nfs/dbraw/zinc/98/09/68/993980968.db2.gz LFKCPJBJFLGAMW-CYBMUJFWSA-N 0 1 381.454 0.450 20 0 GCADMN COc1ccc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)c(CC(=O)[O-])c1 ZINC001599615336 994006916 /nfs/dbraw/zinc/00/69/16/994006916.db2.gz AGVMIJUPIHJZLK-UHFFFAOYSA-N 0 1 399.513 0.628 20 0 GCADMN COc1ccc(S(=O)(=O)NCC[N@@H+](C)CC(=O)[O-])cc1Br ZINC001599615804 994012736 /nfs/dbraw/zinc/01/27/36/994012736.db2.gz UBSMMASCZGGDBX-UHFFFAOYSA-N 0 1 381.248 0.752 20 0 GCADMN C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccc4cnn(CC(=O)[O-])c4c3)[C@@H]2C1 ZINC001598628775 994141809 /nfs/dbraw/zinc/14/18/09/994141809.db2.gz VRJSOTHTCFBRKF-XJKSGUPXSA-N 0 1 385.424 0.612 20 0 GCADMN C[N@H+]1C[C@H]2CN(C(=O)c3ccc(-n4[nH]c(CC(=O)[O-])cc4=O)cc3)C[C@@]2(C)C1 ZINC001598628897 994144612 /nfs/dbraw/zinc/14/46/12/994144612.db2.gz FBXPAYALTHICRC-VBKZILBWSA-N 0 1 384.436 0.816 20 0 GCADMN C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OCCCC(=O)[O-])cc3)C[C@H]2C1 ZINC001598629108 994149406 /nfs/dbraw/zinc/14/94/06/994149406.db2.gz PGIUYSNVFPARFO-OKILXGFUSA-N 0 1 375.425 0.889 20 0 GCADMN C[N@H+]1C[C@H](C(=O)N2CCN([C@]3(C(=O)[O-])CCOC3)CC2)[C@@H](c2ccccc2)C1 ZINC001598629263 994151581 /nfs/dbraw/zinc/15/15/81/994151581.db2.gz YCFFMALZIWXDAN-LVCYWYKZSA-N 0 1 387.480 0.720 20 0 GCADMN CNC(=O)[C@@H](NC(=O)C[N@H+](CCC(=O)[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC001598631574 994180656 /nfs/dbraw/zinc/18/06/56/994180656.db2.gz FJDYRKHGODQDGD-YJBOKZPZSA-N 0 1 377.441 0.546 20 0 GCADMN CNC(=O)[C@@H](NC(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCCO1)c1ccccc1 ZINC001598631574 994180658 /nfs/dbraw/zinc/18/06/58/994180658.db2.gz FJDYRKHGODQDGD-YJBOKZPZSA-N 0 1 377.441 0.546 20 0 GCADMN CNC(=O)C[NH+]1CCC(NC(=O)c2cc(C(=O)[O-])nn2-c2ccccc2)CC1 ZINC001598643592 994349799 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FYBOXQQERBPMHK-AWEZNQCLSA-N 0 1 395.481 0.864 20 0 GCADMN COc1cccc(CNC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)c1OC ZINC001599672816 994844435 /nfs/dbraw/zinc/84/44/35/994844435.db2.gz FGZDGELPUBRVLI-IBGZPJMESA-N 0 1 393.440 0.775 20 0 GCADMN C[C@@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC001593339430 994934291 /nfs/dbraw/zinc/93/42/91/994934291.db2.gz NUDLRNZPUGSBGN-CZUORRHYSA-N 0 1 385.486 0.453 20 0 GCADMN C[C@@H](NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1)[C@H]1C[N@@H+](C)CCN1C ZINC001593339430 994934304 /nfs/dbraw/zinc/93/43/04/994934304.db2.gz NUDLRNZPUGSBGN-CZUORRHYSA-N 0 1 385.486 0.453 20 0 GCADMN C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)[C@@H](C)C1 ZINC001593464276 995397868 /nfs/dbraw/zinc/39/78/68/995397868.db2.gz ZXPVCCQQQZAPKA-KBPBESRZSA-N 0 1 392.456 0.810 20 0 GCADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC001598763384 995802611 /nfs/dbraw/zinc/80/26/11/995802611.db2.gz QTJZUDWFHTXNLF-UKMLZYKCSA-N 0 1 392.456 0.320 20 0 GCADMN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)CCO2 ZINC001598765123 995821975 /nfs/dbraw/zinc/82/19/75/995821975.db2.gz NKEXWMGOEXCRJV-RQMAVPSVSA-N 0 1 397.472 0.678 20 0 GCADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC001598779025 995962190 /nfs/dbraw/zinc/96/21/90/995962190.db2.gz QRTVXXGGJWEEOC-IUODEOHRSA-N 0 1 385.438 0.807 20 0 GCADMN COC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](C(=O)[O-])C[C@@H]2[C@@H]2CCCO2)CC1 ZINC001598793155 996090635 /nfs/dbraw/zinc/09/06/35/996090635.db2.gz INCMZOXYYYHXAJ-XHSDSOJGSA-N 0 1 382.457 0.742 20 0 GCADMN COC(=O)[C@@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C(=O)[O-])C1 ZINC001598804982 996176751 /nfs/dbraw/zinc/17/67/51/996176751.db2.gz VGTAJRWABPKLOL-HIFRSBDPSA-N 0 1 384.454 0.775 20 0 GCADMN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@H](C(=O)[O-])C1 ZINC001598804982 996176756 /nfs/dbraw/zinc/17/67/56/996176756.db2.gz VGTAJRWABPKLOL-HIFRSBDPSA-N 0 1 384.454 0.775 20 0 GCADMN C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC[C@@H](O)[C@H]2C(=O)[O-])CC1 ZINC001593713706 996224457 /nfs/dbraw/zinc/22/44/57/996224457.db2.gz MYNCJXSPBCRDPB-SUMDDJOVSA-N 0 1 375.469 0.802 20 0 GCADMN C[C@H](c1cccnc1)N1C(=O)C[C@H]([NH+]2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001593719610 996244439 /nfs/dbraw/zinc/24/44/39/996244439.db2.gz PUEFYWPITLZYKB-WBMJQRKESA-N 0 1 398.423 0.897 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C[C@@H]1C(=O)[O-] ZINC001598817213 996283083 /nfs/dbraw/zinc/28/30/83/996283083.db2.gz UCNOFICPXPIMGS-GBJTYRQASA-N 0 1 395.456 0.145 20 0 GCADMN COC(=O)[C@@H]1C[N@H+](CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598819531 996309258 /nfs/dbraw/zinc/30/92/58/996309258.db2.gz DSKMLMKFEGPUAH-MRVWCRGKSA-N 0 1 375.381 0.607 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598819531 996309265 /nfs/dbraw/zinc/30/92/65/996309265.db2.gz DSKMLMKFEGPUAH-MRVWCRGKSA-N 0 1 375.381 0.607 20 0 GCADMN 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CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000829069891 601940805 /nfs/dbraw/zinc/94/08/05/601940805.db2.gz VGANOGNEOMSPCO-RBUKOAKNSA-N 0 1 388.424 0.672 20 0 GCADMN Cc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000832943516 601945138 /nfs/dbraw/zinc/94/51/38/601945138.db2.gz DHWLXARWAVQFCY-QGZVFWFLSA-N 0 1 383.470 0.980 20 0 GCADMN COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1OC ZINC000831886744 601977130 /nfs/dbraw/zinc/97/71/30/601977130.db2.gz GPBWWTQTOBHPCZ-IINYFYTJSA-N 0 1 391.424 0.939 20 0 GCADMN COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1OC ZINC000831886745 601977333 /nfs/dbraw/zinc/97/73/33/601977333.db2.gz GPBWWTQTOBHPCZ-QMTHXVAHSA-N 0 1 391.424 0.939 20 0 GCADMN CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000829780421 601990621 /nfs/dbraw/zinc/99/06/21/601990621.db2.gz GTRUTLJUGNYMMD-OAHLLOKOSA-N 0 1 384.454 0.023 20 0 GCADMN CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000829780421 601990623 /nfs/dbraw/zinc/99/06/23/601990623.db2.gz GTRUTLJUGNYMMD-OAHLLOKOSA-N 0 1 384.454 0.023 20 0 GCADMN C[N@H+]1CCC[C@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000830935002 602062517 /nfs/dbraw/zinc/06/25/17/602062517.db2.gz OEERGMBWZXFSCC-HNNXBMFYSA-N 0 1 383.470 0.579 20 0 GCADMN C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC000830929411 602068298 /nfs/dbraw/zinc/06/82/98/602068298.db2.gz ZREOVQALNVESLU-INIZCTEOSA-N 0 1 397.497 0.827 20 0 GCADMN CC[N@@H+]1C[C@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)[C@@H](C)C1 ZINC000829745585 602088660 /nfs/dbraw/zinc/08/86/60/602088660.db2.gz RNYYLDSQOVWZSL-BBRMVZONSA-N 0 1 397.497 0.825 20 0 GCADMN O=C([O-])CS(=O)(=O)Cc1ccc(CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000833263781 602092749 /nfs/dbraw/zinc/09/27/49/602092749.db2.gz TUSLTIUFWFLTTB-INIZCTEOSA-N 0 1 395.481 0.676 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@@H+]1CCOC ZINC000737789199 602128451 /nfs/dbraw/zinc/12/84/51/602128451.db2.gz WZBFYAVHMRYZMR-MRXNPFEDSA-N 0 1 377.441 0.821 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)CC[N@H+]1CCOC ZINC000737789199 602128453 /nfs/dbraw/zinc/12/84/53/602128453.db2.gz WZBFYAVHMRYZMR-MRXNPFEDSA-N 0 1 377.441 0.821 20 0 GCADMN O=C([O-])CC[N@@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)C[C@H]1CCCO1 ZINC000833231929 602205831 /nfs/dbraw/zinc/20/58/31/602205831.db2.gz FVJIHUPOKCYTMI-CYBMUJFWSA-N 0 1 392.391 0.696 20 0 GCADMN O=C([O-])CC[N@H+](CC(=O)Nc1cc(-n2cnnn2)ccc1F)C[C@H]1CCCO1 ZINC000833231929 602205833 /nfs/dbraw/zinc/20/58/33/602205833.db2.gz FVJIHUPOKCYTMI-CYBMUJFWSA-N 0 1 392.391 0.696 20 0 GCADMN CC(=O)N1CCC[N@@H+]([C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C[C@@H]2C)CC1 ZINC000825834078 602212224 /nfs/dbraw/zinc/21/22/24/602212224.db2.gz JJTIXUXHGAPCGW-JSGCOSHPSA-N 0 1 399.469 0.541 20 0 GCADMN CC(=O)N1CCC[N@H+]([C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C[C@@H]2C)CC1 ZINC000825834078 602212225 /nfs/dbraw/zinc/21/22/25/602212225.db2.gz JJTIXUXHGAPCGW-JSGCOSHPSA-N 0 1 399.469 0.541 20 0 GCADMN CC(=O)N1CCC[N@@H+]([C@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C[C@H]2C)CC1 ZINC000825834375 602212230 /nfs/dbraw/zinc/21/22/30/602212230.db2.gz NRDBSOCQIOIZSG-WBMJQRKESA-N 0 1 398.485 0.276 20 0 GCADMN CC(=O)N1CCC[N@H+]([C@H]2CN(S(=O)(=O)c3c[nH]c(C(=O)[O-])c3)C[C@H]2C)CC1 ZINC000825834375 602212231 /nfs/dbraw/zinc/21/22/31/602212231.db2.gz NRDBSOCQIOIZSG-WBMJQRKESA-N 0 1 398.485 0.276 20 0 GCADMN CC(=O)N1CCC[N@@H+]([C@@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@H]2C)CC1 ZINC000825834391 602212266 /nfs/dbraw/zinc/21/22/66/602212266.db2.gz OROMEGARYGWSQQ-UKRRQHHQSA-N 0 1 375.491 0.056 20 0 GCADMN CC(=O)N1CCC[N@H+]([C@@H]2CN(S(=O)(=O)CCCC(=O)[O-])C[C@H]2C)CC1 ZINC000825834391 602212267 /nfs/dbraw/zinc/21/22/67/602212267.db2.gz OROMEGARYGWSQQ-UKRRQHHQSA-N 0 1 375.491 0.056 20 0 GCADMN CC(=O)N1CCC[N@@H+]([C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C[C@H]2C)CC1 ZINC000825834079 602212321 /nfs/dbraw/zinc/21/23/21/602212321.db2.gz JJTIXUXHGAPCGW-OCCSQVGLSA-N 0 1 399.469 0.541 20 0 GCADMN CC(=O)N1CCC[N@H+]([C@H]2CN(S(=O)(=O)c3ccc(C(=O)[O-])o3)C[C@H]2C)CC1 ZINC000825834079 602212324 /nfs/dbraw/zinc/21/23/24/602212324.db2.gz JJTIXUXHGAPCGW-OCCSQVGLSA-N 0 1 399.469 0.541 20 0 GCADMN C[C@@H](CNC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1)C[NH+]1CCOCC1 ZINC000827479188 602214810 /nfs/dbraw/zinc/21/48/10/602214810.db2.gz WQQYLLWZFLAUPW-LBPRGKRZSA-N 0 1 399.469 0.878 20 0 GCADMN CC[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000829785626 602218710 /nfs/dbraw/zinc/21/87/10/602218710.db2.gz CHFUUAPAAPKLMW-CYBMUJFWSA-N 0 1 385.442 0.631 20 0 GCADMN CC[N@H+]1CCO[C@H](CNC(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)C1 ZINC000829785626 602218712 /nfs/dbraw/zinc/21/87/12/602218712.db2.gz CHFUUAPAAPKLMW-CYBMUJFWSA-N 0 1 385.442 0.631 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC1 ZINC000830934272 602221788 /nfs/dbraw/zinc/22/17/88/602221788.db2.gz CRNRNOZSXYSWNS-INIZCTEOSA-N 0 1 395.481 0.241 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2C(=O)[O-])CC1 ZINC000830934768 602221896 /nfs/dbraw/zinc/22/18/96/602221896.db2.gz KJWFQUCFPQSYQH-INIZCTEOSA-N 0 1 395.481 0.453 20 0 GCADMN CN(C)C(=O)CCN1CC[NH+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000830547395 602238807 /nfs/dbraw/zinc/23/88/07/602238807.db2.gz OJOWRPBXGARPTD-MRXNPFEDSA-N 0 1 379.457 0.220 20 0 GCADMN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)C(=O)[O-] ZINC000737518985 602283982 /nfs/dbraw/zinc/28/39/82/602283982.db2.gz VJLKHMVMKRQISI-UHFFFAOYSA-N 0 1 384.458 0.561 20 0 GCADMN CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)C(=O)[O-] ZINC000737518985 602283986 /nfs/dbraw/zinc/28/39/86/602283986.db2.gz VJLKHMVMKRQISI-UHFFFAOYSA-N 0 1 384.458 0.561 20 0 GCADMN COc1cc(F)c(NC(=O)C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)cc1F ZINC000832003863 602287511 /nfs/dbraw/zinc/28/75/11/602287511.db2.gz ACAIENYPEDPWNN-SNVBAGLBSA-N 0 1 385.367 0.919 20 0 GCADMN CCn1nc(NC(=O)C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)cc1C1CC1 ZINC000830445556 602287617 /nfs/dbraw/zinc/28/76/17/602287617.db2.gz NWVFASHNNRDJAW-LBPRGKRZSA-N 0 1 377.445 0.726 20 0 GCADMN CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)C[C@@H]2C)CC1 ZINC000825839709 602368645 /nfs/dbraw/zinc/36/86/45/602368645.db2.gz GLWNWRWFRJMRPS-BLLLJJGKSA-N 0 1 377.445 0.740 20 0 GCADMN Cn1cc(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1C(=O)[O-] ZINC000830945880 602371353 /nfs/dbraw/zinc/37/13/53/602371353.db2.gz BLBOMUILQAQMRI-UHFFFAOYSA-N 0 1 377.445 0.741 20 0 GCADMN COCCN1CCC[C@@H]1CNS(=O)(=O)c1cccc(C)c1-c1nn[nH]n1 ZINC000826159918 607606523 /nfs/dbraw/zinc/60/65/23/607606523.db2.gz XPUBAELKVBGGTQ-CYBMUJFWSA-N 0 1 380.474 0.564 20 0 GCADMN C[NH+](C)C1(CNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCOCC1 ZINC000825848908 607616776 /nfs/dbraw/zinc/61/67/76/607616776.db2.gz HHMZQUVZXFEROE-UHFFFAOYSA-N 0 1 384.437 0.395 20 0 GCADMN C[NH+](C)C1(CNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCOCC1 ZINC000825848908 607616778 /nfs/dbraw/zinc/61/67/78/607616778.db2.gz HHMZQUVZXFEROE-UHFFFAOYSA-N 0 1 384.437 0.395 20 0 GCADMN O=S(=O)(NCCSCCCO)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826491373 607632694 /nfs/dbraw/zinc/63/26/94/607632694.db2.gz GSMAKMDRZGTNSX-UHFFFAOYSA-N 0 1 379.414 0.539 20 0 GCADMN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000825577388 607667590 /nfs/dbraw/zinc/66/75/90/607667590.db2.gz VXBMNQDNKONYRC-LLVKDONJSA-N 0 1 386.453 0.641 20 0 GCADMN CCO[C@H](CC[NH+](C)C)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000825577388 607667592 /nfs/dbraw/zinc/66/75/92/607667592.db2.gz VXBMNQDNKONYRC-LLVKDONJSA-N 0 1 386.453 0.641 20 0 GCADMN CC(=O)N1CC[NH+]([C@H]2CN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)C[C@H]2C)CC1 ZINC000825840371 604333920 /nfs/dbraw/zinc/33/39/20/604333920.db2.gz KHMNVPZCJRSDQN-ABAIWWIYSA-N 0 1 376.457 0.954 20 0 GCADMN C[N@@H+]1CCO[C@H](C(=O)N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000830960631 604343658 /nfs/dbraw/zinc/34/36/58/604343658.db2.gz VJPCHBCZCIBQFU-HOTGVXAUSA-N 0 1 381.860 0.941 20 0 GCADMN C[N@H+]1CCO[C@H](C(=O)N2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)C1 ZINC000830960631 604343661 /nfs/dbraw/zinc/34/36/61/604343661.db2.gz VJPCHBCZCIBQFU-HOTGVXAUSA-N 0 1 381.860 0.941 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935250 604372086 /nfs/dbraw/zinc/37/20/86/604372086.db2.gz TYLVMACVDKXUQJ-SJLPKXTDSA-N 0 1 391.468 0.363 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000830934613 604410153 /nfs/dbraw/zinc/41/01/53/604410153.db2.gz IQMTVDXGKKYOMX-MRXNPFEDSA-N 0 1 375.425 0.529 20 0 GCADMN C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3C[C@@H](C(=O)[O-])Oc4ccccc43)CC[C@@H]21 ZINC000830940519 604416865 /nfs/dbraw/zinc/41/68/65/604416865.db2.gz GRTXUTHKWRMMLN-KEYYUXOJSA-N 0 1 387.436 0.808 20 0 GCADMN C[C@H](NC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)[C@H]1C[N@H+](C)CCO1 ZINC000827659049 604432995 /nfs/dbraw/zinc/43/29/95/604432995.db2.gz NUBDBEWQCMPHNX-CYZMBNFOSA-N 0 1 396.469 0.570 20 0 GCADMN C[C@H](NC(=O)N[C@@H]1CCN(c2sccc2C(=O)[O-])C1=O)[C@H]1C[N@@H+](C)CCO1 ZINC000827659049 604432998 /nfs/dbraw/zinc/43/29/98/604432998.db2.gz NUBDBEWQCMPHNX-CYZMBNFOSA-N 0 1 396.469 0.570 20 0 GCADMN COc1cccc(CN(C)C(=O)C[NH2+]C2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC000832549882 604438318 /nfs/dbraw/zinc/43/83/18/604438318.db2.gz VCVKAQPZTAATOK-UHFFFAOYSA-N 0 1 384.454 0.275 20 0 GCADMN C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000828251042 604438537 /nfs/dbraw/zinc/43/85/37/604438537.db2.gz AEVWYETUCWBSBI-KBPBESRZSA-N 0 1 390.502 0.320 20 0 GCADMN Cc1cccc(C)c1OCCNC(=O)C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000832966100 604439925 /nfs/dbraw/zinc/43/99/25/604439925.db2.gz RCVYOOYMTGKVAK-UHFFFAOYSA-N 0 1 398.481 0.420 20 0 GCADMN CN(Cc1ccc(Cl)s1)C(=O)C[NH2+]C1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000830825198 604440159 /nfs/dbraw/zinc/44/01/59/604440159.db2.gz GWAZGMJNMHGJNX-UHFFFAOYSA-N 0 1 394.902 0.982 20 0 GCADMN CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000827000091 604451062 /nfs/dbraw/zinc/45/10/62/604451062.db2.gz ASINQIZFIHKTHX-HZPDHXFCSA-N 0 1 399.488 0.036 20 0 GCADMN CN1C[C@@H](Nc2nc[nH+]c(N[C@H]3CCC(=O)N(C)C3)c2C(=O)[O-])CCC1=O ZINC000830918444 604460462 /nfs/dbraw/zinc/46/04/62/604460462.db2.gz YSHUYBCURXNFQU-QWRGUYRKSA-N 0 1 376.417 0.240 20 0 GCADMN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000833702768 604483520 /nfs/dbraw/zinc/48/35/20/604483520.db2.gz ZPDMJTCMGVEJQG-IAGOWNOFSA-N 0 1 389.452 0.837 20 0 GCADMN C[NH+]1CCN(C(=O)[C@H]2CCc3ccccc3N2Cn2cc(C(=O)[O-])nn2)CC1 ZINC000833698067 604502602 /nfs/dbraw/zinc/50/26/02/604502602.db2.gz XWFBKSSHDNGYMR-QGZVFWFLSA-N 0 1 384.440 0.529 20 0 GCADMN Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000832916010 604503176 /nfs/dbraw/zinc/50/31/76/604503176.db2.gz MUDCDOVQJYRCRU-QGZVFWFLSA-N 0 1 388.468 0.870 20 0 GCADMN Cc1[nH]c(C(=O)CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)c1C(=O)[O-] ZINC000832844728 604503379 /nfs/dbraw/zinc/50/33/79/604503379.db2.gz WHVIELGHNBMSFJ-AWEZNQCLSA-N 0 1 376.457 0.751 20 0 GCADMN Cc1[nH]c(C(=O)CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(C)c1C(=O)[O-] ZINC000832844728 604503380 /nfs/dbraw/zinc/50/33/80/604503380.db2.gz WHVIELGHNBMSFJ-AWEZNQCLSA-N 0 1 376.457 0.751 20 0 GCADMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O ZINC000827015610 604512855 /nfs/dbraw/zinc/51/28/55/604512855.db2.gz FUYTXHATRMXJFM-CYBMUJFWSA-N 0 1 398.460 0.472 20 0 GCADMN COC(=O)c1cc(NC(=O)C[N@@H+](C)C[C@@H]2CCN(C(C)=O)C2)cc(C(=O)[O-])c1 ZINC000833712550 604520219 /nfs/dbraw/zinc/52/02/19/604520219.db2.gz FVKNCBYFBGVQOW-ZDUSSCGKSA-N 0 1 391.424 0.910 20 0 GCADMN COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1OC ZINC000831887012 604562101 /nfs/dbraw/zinc/56/21/01/604562101.db2.gz ICQKCZCTHYUMMS-HZMBPMFUSA-N 0 1 395.412 0.176 20 0 GCADMN COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1OC ZINC000831887012 604562106 /nfs/dbraw/zinc/56/21/06/604562106.db2.gz ICQKCZCTHYUMMS-HZMBPMFUSA-N 0 1 395.412 0.176 20 0 GCADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000832901561 604562982 /nfs/dbraw/zinc/56/29/82/604562982.db2.gz TZSZHMFYCBLXTM-DOMZBBRYSA-N 0 1 379.413 0.232 20 0 GCADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000832901561 604562988 /nfs/dbraw/zinc/56/29/88/604562988.db2.gz TZSZHMFYCBLXTM-DOMZBBRYSA-N 0 1 379.413 0.232 20 0 GCADMN O=C([O-])CCNC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000819473631 604643501 /nfs/dbraw/zinc/64/35/01/604643501.db2.gz RSCKJJUJQNRDIZ-HNNXBMFYSA-N 0 1 385.424 0.860 20 0 GCADMN COC(=O)c1cc(NC(=O)[C@@H](C)[NH+]2CCC(OCCO)CC2)cc(C(=O)[O-])c1 ZINC000833712868 604647106 /nfs/dbraw/zinc/64/71/06/604647106.db2.gz JKSPELICUGVBEE-GFCCVEGCSA-N 0 1 394.424 0.972 20 0 GCADMN C[C@H](C[N@@H+](CC(=O)NN1C(=O)NC2(CCC(C)CC2)C1=O)C1CC1)C(=O)[O-] ZINC000828232145 604740167 /nfs/dbraw/zinc/74/01/67/604740167.db2.gz BJTCHKFUWBKOIG-BJCXPLBRSA-N 0 1 380.445 0.703 20 0 GCADMN CN(C)C(=O)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)[O-])cc2)CC1 ZINC000827954307 604752070 /nfs/dbraw/zinc/75/20/70/604752070.db2.gz RBQQVJXIFVEGFK-UHFFFAOYSA-N 0 1 391.428 0.338 20 0 GCADMN C[N@@H+](CCO)C1CCN(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])CC1 ZINC000830788892 604756495 /nfs/dbraw/zinc/75/64/95/604756495.db2.gz FXLPBTYFWVHIEX-GOSISDBHSA-N 0 1 375.469 0.413 20 0 GCADMN Cc1ccc(NC(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)cc1S(N)(=O)=O ZINC000832943579 604771625 /nfs/dbraw/zinc/77/16/25/604771625.db2.gz HPCRXTZJXAEDIS-UHFFFAOYSA-N 0 1 385.442 0.147 20 0 GCADMN Cc1ccc(NC(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)cc1S(N)(=O)=O ZINC000832943579 604771628 /nfs/dbraw/zinc/77/16/28/604771628.db2.gz HPCRXTZJXAEDIS-UHFFFAOYSA-N 0 1 385.442 0.147 20 0 GCADMN CC[C@@H]1C[N@@H+](CCCN2C(=O)CS/C2=C\C(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000829151955 604799200 /nfs/dbraw/zinc/79/92/00/604799200.db2.gz UZKHQWGUIQEXIO-NFMLXDHJSA-N 0 1 383.514 0.921 20 0 GCADMN C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000827609813 604831239 /nfs/dbraw/zinc/83/12/39/604831239.db2.gz VNPBTSUCNNBTHF-YGRLFVJLSA-N 0 1 399.831 0.577 20 0 GCADMN C[C@@H](NC(=O)C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000827609813 604831242 /nfs/dbraw/zinc/83/12/42/604831242.db2.gz VNPBTSUCNNBTHF-YGRLFVJLSA-N 0 1 399.831 0.577 20 0 GCADMN CC(C)CCn1nccc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC(=O)[O-])CC1 ZINC000833485496 604862857 /nfs/dbraw/zinc/86/28/57/604862857.db2.gz VELNOHMTMSUPIC-CQSZACIVSA-N 0 1 379.461 0.875 20 0 GCADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)c2cnccc2C(=O)[O-])C1 ZINC000826885619 604875203 /nfs/dbraw/zinc/87/52/03/604875203.db2.gz FALDINLNCCIQBM-CYBMUJFWSA-N 0 1 379.413 0.410 20 0 GCADMN CC(C)[N@H+](CC(=O)[O-])CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000833497290 604920852 /nfs/dbraw/zinc/92/08/52/604920852.db2.gz BGHIDPYVYYTAPV-UHFFFAOYSA-N 0 1 394.447 0.703 20 0 GCADMN CC(C)[N@@H+](CC(=O)[O-])CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000833497290 604920854 /nfs/dbraw/zinc/92/08/54/604920854.db2.gz BGHIDPYVYYTAPV-UHFFFAOYSA-N 0 1 394.447 0.703 20 0 GCADMN O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000833170134 604962478 /nfs/dbraw/zinc/96/24/78/604962478.db2.gz FNORLNPNNFYNST-QZTJIDSGSA-N 0 1 397.903 0.776 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833403911 604979125 /nfs/dbraw/zinc/97/91/25/604979125.db2.gz FKRFORQNHIIPME-SUYBPPKGSA-N 0 1 378.425 0.489 20 0 GCADMN C[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000833632687 605028915 /nfs/dbraw/zinc/02/89/15/605028915.db2.gz XPPXIFICODSUAM-MAUKXSAKSA-N 0 1 395.525 0.960 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)NCCNC(=O)c1c(F)cccc1F ZINC000833627389 605051972 /nfs/dbraw/zinc/05/19/72/605051972.db2.gz XBLRBOCUPDGMBV-GFCCVEGCSA-N 0 1 398.410 0.885 20 0 GCADMN C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000833624220 605055250 /nfs/dbraw/zinc/05/52/50/605055250.db2.gz JSBMJXHSKOPHRC-JKSUJKDBSA-N 0 1 397.520 0.120 20 0 GCADMN C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000833624220 605055253 /nfs/dbraw/zinc/05/52/53/605055253.db2.gz JSBMJXHSKOPHRC-JKSUJKDBSA-N 0 1 397.520 0.120 20 0 GCADMN CC(=O)NCCc1ccc(S(=O)(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833397032 605061677 /nfs/dbraw/zinc/06/16/77/605061677.db2.gz FMSSTXXGTBAIHG-CQSZACIVSA-N 0 1 397.497 0.535 20 0 GCADMN CC(=O)NCCc1ccc(S(=O)(=O)N2CC[N@H+](CCC(=O)[O-])C[C@H]2C)cc1 ZINC000833397032 605061682 /nfs/dbraw/zinc/06/16/82/605061682.db2.gz FMSSTXXGTBAIHG-CQSZACIVSA-N 0 1 397.497 0.535 20 0 GCADMN CC(C)C[N@H+]1CCO[C@H](CNC(=O)COC(=O)C2CCC(C(=O)[O-])CC2)C1 ZINC000833487287 605071610 /nfs/dbraw/zinc/07/16/10/605071610.db2.gz IEMFEGSGVNQDEM-UYSNPLJNSA-N 0 1 384.473 0.894 20 0 GCADMN CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000833653975 605093198 /nfs/dbraw/zinc/09/31/98/605093198.db2.gz SGVFYXIJWDVZEC-UHFFFAOYSA-N 0 1 398.504 0.454 20 0 GCADMN CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2(C(=O)[O-])CCOCC2)CC1 ZINC000833653975 605093204 /nfs/dbraw/zinc/09/32/04/605093204.db2.gz SGVFYXIJWDVZEC-UHFFFAOYSA-N 0 1 398.504 0.454 20 0 GCADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000833618528 605114312 /nfs/dbraw/zinc/11/43/12/605114312.db2.gz CCSISAPMBONFRJ-RDJZCZTQSA-N 0 1 388.468 0.941 20 0 GCADMN CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1)C(=O)[O-] ZINC000833640180 605122252 /nfs/dbraw/zinc/12/22/52/605122252.db2.gz VDNDRQCZWZQAPF-MKBNYLNASA-N 0 1 385.486 0.861 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccccc1OCC(=O)N(C)C ZINC000833625193 605155787 /nfs/dbraw/zinc/15/57/87/605155787.db2.gz KBRYNIYOLIKIPB-CQSZACIVSA-N 0 1 377.441 0.775 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000833627264 605159748 /nfs/dbraw/zinc/15/97/48/605159748.db2.gz VUZAWBLPMYKHSB-CYBMUJFWSA-N 0 1 384.436 0.964 20 0 GCADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000833627265 605160162 /nfs/dbraw/zinc/16/01/62/605160162.db2.gz VUZAWBLPMYKHSB-ZDUSSCGKSA-N 0 1 384.436 0.964 20 0 GCADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000833618370 605168230 /nfs/dbraw/zinc/16/82/30/605168230.db2.gz BCPGHIIRCCDPHG-FXAWDEMLSA-N 0 1 388.512 0.983 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1CCC(=O)NC(=O)NCc1ccccc1 ZINC000833629156 605188753 /nfs/dbraw/zinc/18/87/53/605188753.db2.gz RQDFCDTYRAUZII-OAHLLOKOSA-N 0 1 376.457 0.883 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000833628261 605196758 /nfs/dbraw/zinc/19/67/58/605196758.db2.gz FBWCLHBDNOFBHJ-ZBFHGGJFSA-N 0 1 390.440 0.345 20 0 GCADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000833628731 605200508 /nfs/dbraw/zinc/20/05/08/605200508.db2.gz OSRZYIZZQCRECQ-LBPRGKRZSA-N 0 1 391.407 0.221 20 0 GCADMN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC000833523884 605203232 /nfs/dbraw/zinc/20/32/32/605203232.db2.gz ZULCAGIDXOXCGR-NWDGAFQWSA-N 0 1 389.499 0.422 20 0 GCADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000833625290 605205902 /nfs/dbraw/zinc/20/59/02/605205902.db2.gz KRBSKLRJZFKBFV-BUXKBTBVSA-N 0 1 388.424 0.362 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)C1=NN(c2ccccc2)C(=O)[C@H](C)N1 ZINC000833634154 605209240 /nfs/dbraw/zinc/20/92/40/605209240.db2.gz KPGXUNKVZYDYFI-KGLIPLIRSA-N 0 1 387.440 0.332 20 0 GCADMN C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-])N1CC[NH+](C)CC1 ZINC000833408661 605215141 /nfs/dbraw/zinc/21/51/41/605215141.db2.gz HOWFANDDZMFKBA-CQSZACIVSA-N 0 1 376.457 0.796 20 0 GCADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2C[C@@H](C(=O)[O-])Oc3ccccc32)C1 ZINC000833489229 605245465 /nfs/dbraw/zinc/24/54/65/605245465.db2.gz YEWZZFZNWGWJAE-YJBOKZPZSA-N 0 1 391.468 0.812 20 0 GCADMN CC(C)NS(=O)(=O)c1cccc(C(=O)N2CC[N@@H+](CCC(=O)[O-])[C@@H](C)C2)c1 ZINC000833504867 605250765 /nfs/dbraw/zinc/25/07/65/605250765.db2.gz QXFKZAZUTMGROQ-AWEZNQCLSA-N 0 1 397.497 0.994 20 0 GCADMN C[C@H]1CN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@H+]1CCC(=O)[O-] ZINC000833620870 605253978 /nfs/dbraw/zinc/25/39/78/605253978.db2.gz YHPNLZNQSVHTLJ-WMZOPIPTSA-N 0 1 375.469 0.895 20 0 GCADMN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC[N@H+]1CCC(=O)[O-] ZINC000833618663 605254367 /nfs/dbraw/zinc/25/43/67/605254367.db2.gz QJMFLJJMFTXCRW-CJNGLKHVSA-N 0 1 387.440 0.114 20 0 GCADMN Cc1sc2ncc(C(=O)N3CC[N@H+](CCC(=O)[O-])C[C@@H]3C)c(=O)n2c1C ZINC000833758617 605268263 /nfs/dbraw/zinc/26/82/63/605268263.db2.gz HTSDUDRBMUUGGT-JTQLQIEISA-N 0 1 378.454 0.994 20 0 GCADMN C[C@@H]1CN(C(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC[N@H+]1CCC(=O)[O-] ZINC000833632947 605279947 /nfs/dbraw/zinc/27/99/47/605279947.db2.gz BAIMBFHBUBUARY-ZIAGYGMSSA-N 0 1 387.440 0.332 20 0 GCADMN C[C@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC[N@@H+]1CCC(=O)[O-] ZINC000833620840 605280309 /nfs/dbraw/zinc/28/03/09/605280309.db2.gz HNEAINFGLKVMFS-ZDUSSCGKSA-N 0 1 385.424 0.592 20 0 GCADMN C[C@H]1CN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC[N@H+]1CCC(=O)[O-] ZINC000833620840 605280313 /nfs/dbraw/zinc/28/03/13/605280313.db2.gz HNEAINFGLKVMFS-ZDUSSCGKSA-N 0 1 385.424 0.592 20 0 GCADMN CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)c3ccc(C(=O)[O-])nc3)CC2)C1 ZINC000604961805 605306037 /nfs/dbraw/zinc/30/60/37/605306037.db2.gz ILXCJEKNFVGMHX-INIZCTEOSA-N 0 1 376.457 0.647 20 0 GCADMN CN(CC(C)(C)CN1CCOCC1)[C@@H](C(N)=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825897686 607751089 /nfs/dbraw/zinc/75/10/89/607751089.db2.gz LMWHAJBHPYHIEJ-MRXNPFEDSA-N 0 1 387.488 0.683 20 0 GCADMN CC[C@H](C)[C@H](NC(=O)CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(=O)[O-] ZINC000833637015 605503922 /nfs/dbraw/zinc/50/39/22/605503922.db2.gz BIXQLUYSCMAPDD-KEOQEEGVSA-N 0 1 380.533 0.845 20 0 GCADMN C[C@@H]1CN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC[N@H+]1CCC(=O)[O-] ZINC000833618223 605528736 /nfs/dbraw/zinc/52/87/36/605528736.db2.gz MEXLFVMOGQZYHO-RLCCDNCMSA-N 0 1 393.465 0.698 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)[O-])CCN1C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 ZINC000833618905 605532921 /nfs/dbraw/zinc/53/29/21/605532921.db2.gz GJORKFBNULNVSY-XFBWCDHKSA-N 0 1 393.465 0.698 20 0 GCADMN COC(=O)[C@H]1CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000833708160 605680978 /nfs/dbraw/zinc/68/09/78/605680978.db2.gz OAOLZPKKQUUKHJ-DTWKUNHWSA-N 0 1 383.323 0.103 20 0 GCADMN COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000833707542 605691810 /nfs/dbraw/zinc/69/18/10/605691810.db2.gz LSKMVSOUYTVXAB-JSGCOSHPSA-N 0 1 377.397 0.452 20 0 GCADMN COC(=O)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000833710584 605697541 /nfs/dbraw/zinc/69/75/41/605697541.db2.gz WZJDPBFECIRROT-SNPRPXQTSA-N 0 1 385.438 0.462 20 0 GCADMN COC(=O)[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(S(C)(=O)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000833710584 605697544 /nfs/dbraw/zinc/69/75/44/605697544.db2.gz WZJDPBFECIRROT-SNPRPXQTSA-N 0 1 385.438 0.462 20 0 GCADMN C/C(=C\C[NH+]1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C(=O)[O-] ZINC000833383784 605710765 /nfs/dbraw/zinc/71/07/65/605710765.db2.gz PQYCCDDLGODISS-CQMBDMNQSA-N 0 1 375.473 0.872 20 0 GCADMN COCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)cc1C(=O)[O-] ZINC000833724988 605919452 /nfs/dbraw/zinc/91/94/52/605919452.db2.gz WJNPLCBOVFBVPH-LBPRGKRZSA-N 0 1 379.413 0.559 20 0 GCADMN Cc1sc(NC(=O)CN2CCN(CC(C)(C)O)CC2)c(-c2nn[nH]n2)c1C ZINC000822559196 606110801 /nfs/dbraw/zinc/11/08/01/606110801.db2.gz XVXUDVGAWFWGIX-UHFFFAOYSA-N 0 1 393.517 0.872 20 0 GCADMN Cc1sc(NC(=O)CN2CCN(CCCCO)CC2)c(-c2nn[nH]n2)c1C ZINC000822556549 606113866 /nfs/dbraw/zinc/11/38/66/606113866.db2.gz CQEXKIQNJKFEIN-UHFFFAOYSA-N 0 1 393.517 0.874 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CC3(C)C)CC2)o1 ZINC000822422939 606114631 /nfs/dbraw/zinc/11/46/31/606114631.db2.gz GGNAZTWZYKVMPJ-GFCCVEGCSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)CC3(C)C)CC2)o1 ZINC000822422939 606114637 /nfs/dbraw/zinc/11/46/37/606114637.db2.gz GGNAZTWZYKVMPJ-GFCCVEGCSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CC3(C)C)CC2)o1 ZINC000822422939 606114639 /nfs/dbraw/zinc/11/46/39/606114639.db2.gz GGNAZTWZYKVMPJ-GFCCVEGCSA-N 0 1 388.476 0.932 20 0 GCADMN CCC1(C(=O)OCC(=O)N2CCN(c3oc(C)nc3-c3nn[nH]n3)CC2)CC1 ZINC000820944168 606148763 /nfs/dbraw/zinc/14/87/63/606148763.db2.gz IZFLQFUXFRPHMQ-UHFFFAOYSA-N 0 1 389.416 0.545 20 0 GCADMN C[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[nH]n2)cc1)N(C)C ZINC000821988146 606155474 /nfs/dbraw/zinc/15/54/74/606155474.db2.gz CEPQXRSUFUQBIB-GXFFZTMASA-N 0 1 375.458 0.657 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000822614881 606166548 /nfs/dbraw/zinc/16/65/48/606166548.db2.gz VWRUHKKIKGUQRJ-NSHDSACASA-N 0 1 375.437 0.223 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000822614881 606166549 /nfs/dbraw/zinc/16/65/49/606166549.db2.gz VWRUHKKIKGUQRJ-NSHDSACASA-N 0 1 375.437 0.223 20 0 GCADMN CN(CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCN(C)C1 ZINC000821623641 606189926 /nfs/dbraw/zinc/18/99/26/606189926.db2.gz PEPZPVOAJDNTPW-CQSZACIVSA-N 0 1 378.502 0.914 20 0 GCADMN COC1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000821679679 606195256 /nfs/dbraw/zinc/19/52/56/606195256.db2.gz HQTIZQYYXBOBSE-UHFFFAOYSA-N 0 1 391.407 0.171 20 0 GCADMN COc1ccc(S(=O)(=O)Nc2cc(-c3nn[nH]n3)ccc2O)cc1C(N)=O ZINC000821846655 606210474 /nfs/dbraw/zinc/21/04/74/606210474.db2.gz WZVMQMMMZAUQCZ-UHFFFAOYSA-N 0 1 390.381 0.481 20 0 GCADMN O=S(=O)(CCNCc1cc(-c2nn[nH]n2)cs1)NC[C@@H]1CCCCO1 ZINC000823561645 606218815 /nfs/dbraw/zinc/21/88/15/606218815.db2.gz HKHVCDHCKSTIOD-LBPRGKRZSA-N 0 1 386.503 0.506 20 0 GCADMN CCN1CCN(c2ccc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)cn2)CC1 ZINC000821276922 606258535 /nfs/dbraw/zinc/25/85/35/606258535.db2.gz PHNMWHDLBUTSJG-UHFFFAOYSA-N 0 1 381.444 0.662 20 0 GCADMN COCC[N@H+]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)CC1 ZINC000821691263 606280824 /nfs/dbraw/zinc/28/08/24/606280824.db2.gz OEVFHDNYRKVNFI-UHFFFAOYSA-N 0 1 393.473 0.484 20 0 GCADMN COCC[N@@H+]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000821691263 606280826 /nfs/dbraw/zinc/28/08/26/606280826.db2.gz OEVFHDNYRKVNFI-UHFFFAOYSA-N 0 1 393.473 0.484 20 0 GCADMN COCC[N@H+]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c(SC)[nH]c2=O)CC1 ZINC000821691263 606280828 /nfs/dbraw/zinc/28/08/28/606280828.db2.gz OEVFHDNYRKVNFI-UHFFFAOYSA-N 0 1 393.473 0.484 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1-c1nnn[n-]1 ZINC000821970147 606286115 /nfs/dbraw/zinc/28/61/15/606286115.db2.gz IZDNRPRRHPJLTL-UWVGGRQHSA-N 0 1 393.473 0.216 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1-c1nn[n-]n1 ZINC000821979722 606300895 /nfs/dbraw/zinc/30/08/95/606300895.db2.gz VNUSGZZEKLABOP-HNNXBMFYSA-N 0 1 395.514 0.856 20 0 GCADMN CC(C)(CO)N1CCN([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000819988254 606321757 /nfs/dbraw/zinc/32/17/57/606321757.db2.gz VTIFUTKBQPSNNN-CYBMUJFWSA-N 0 1 391.501 0.422 20 0 GCADMN CC[C@H](CO)N1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820907771 606330239 /nfs/dbraw/zinc/33/02/39/606330239.db2.gz HAAVHKFLMWHYGL-OCCSQVGLSA-N 0 1 391.501 0.422 20 0 GCADMN O=C1COc2ccc(S(=O)(=O)Nc3cc(-c4nn[nH]n4)ccc3O)cc2N1 ZINC000823542627 606338283 /nfs/dbraw/zinc/33/82/83/606338283.db2.gz XDVQSCLKGISDNH-UHFFFAOYSA-N 0 1 388.365 0.704 20 0 GCADMN CN(CCC(=O)Nc1sccc1-c1nn[nH]n1)CCN1CCCS1(=O)=O ZINC000821598255 606453789 /nfs/dbraw/zinc/45/37/89/606453789.db2.gz WFZABRHXXNNUMK-UHFFFAOYSA-N 0 1 399.502 0.224 20 0 GCADMN CN(CCC(=O)Nc1cccc(-c2nn[nH]n2)c1)CCN1CCCS1(=O)=O ZINC000821598103 606505790 /nfs/dbraw/zinc/50/57/90/606505790.db2.gz QUOMDXDRNBQIMT-UHFFFAOYSA-N 0 1 393.473 0.163 20 0 GCADMN O=C1CC2(CN1)CCN([C@H]1CCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000823519761 606507106 /nfs/dbraw/zinc/50/71/06/606507106.db2.gz IGGVTWSQDQNCNH-HNNXBMFYSA-N 0 1 381.440 0.574 20 0 GCADMN O=C(CCN1CCN2C(=O)NC[C@H]2C1)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000822968832 606523067 /nfs/dbraw/zinc/52/30/67/606523067.db2.gz BCMKUQYXNHIVFN-NSHDSACASA-N 0 1 390.835 0.558 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@H+](C)[C@@H](C)C3(C)CC3)CC2)o1 ZINC000822422883 606527755 /nfs/dbraw/zinc/52/77/55/606527755.db2.gz FJKLNMHPQYQBDB-LBPRGKRZSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)C3(C)CC3)CC2)o1 ZINC000822422883 606527761 /nfs/dbraw/zinc/52/77/61/606527761.db2.gz FJKLNMHPQYQBDB-LBPRGKRZSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+](C)[C@@H](C)C3(C)CC3)CC2)o1 ZINC000822422883 606527763 /nfs/dbraw/zinc/52/77/63/606527763.db2.gz FJKLNMHPQYQBDB-LBPRGKRZSA-N 0 1 388.476 0.932 20 0 GCADMN C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2ccc(-c3nn[n-]n3)s2)cn1 ZINC000821587175 606572860 /nfs/dbraw/zinc/57/28/60/606572860.db2.gz KGZWBIGCIAHVPD-UHFFFAOYSA-N 0 1 389.445 0.055 20 0 GCADMN CN(C)CC(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC(F)F)CC1 ZINC000821583258 606598961 /nfs/dbraw/zinc/59/89/61/606598961.db2.gz OCUXJYFMUPSIIX-UHFFFAOYSA-N 0 1 395.414 0.674 20 0 GCADMN CN(C)CCN(C)S(=O)(=O)c1cc(Br)cc(-c2nn[nH]n2)c1 ZINC000821584915 606639322 /nfs/dbraw/zinc/63/93/22/606639322.db2.gz XWICMCLCDBUIOU-UHFFFAOYSA-N 0 1 389.279 0.811 20 0 GCADMN COCCCn1c(C)c(C)c(-c2nn[nH]n2)c1NC(=O)CN(CCO)C(C)C ZINC000821688149 606646507 /nfs/dbraw/zinc/64/65/07/606646507.db2.gz ACNMAEWWKSDZRV-UHFFFAOYSA-N 0 1 393.492 0.963 20 0 GCADMN Cc1nc([C@@H]2CN(C(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)CCO2)n[nH]1 ZINC000822414368 606687739 /nfs/dbraw/zinc/68/77/39/606687739.db2.gz CTYJURDBEUEDCU-NSHDSACASA-N 0 1 376.327 0.785 20 0 GCADMN C[C@@H](C(=O)NCC(F)(F)F)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857818 606699748 /nfs/dbraw/zinc/69/97/48/606699748.db2.gz VPJDWNUTCSTOOW-ZETCQYMHSA-N 0 1 375.359 0.103 20 0 GCADMN C[C@@H](C(=O)NCC(F)(F)F)[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000819857818 606699749 /nfs/dbraw/zinc/69/97/49/606699749.db2.gz VPJDWNUTCSTOOW-ZETCQYMHSA-N 0 1 375.359 0.103 20 0 GCADMN O=c1c(-c2nn[nH]n2)cn(CC2(CO)COC2)c2ccc(Br)cc12 ZINC000823658059 606795514 /nfs/dbraw/zinc/79/55/14/606795514.db2.gz ZMGALLLGMAAZBJ-UHFFFAOYSA-N 0 1 392.213 0.953 20 0 GCADMN C[C@@H](C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000819856761 606830823 /nfs/dbraw/zinc/83/08/23/606830823.db2.gz LKGGQLJZBJDCNU-GJZGRUSLSA-N 0 1 399.503 0.958 20 0 GCADMN C[C@@H](C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000819856761 606830825 /nfs/dbraw/zinc/83/08/25/606830825.db2.gz LKGGQLJZBJDCNU-GJZGRUSLSA-N 0 1 399.503 0.958 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCCCO[C@@H]2CCOC2)cc1-c1nn[nH]n1 ZINC000821979284 606853585 /nfs/dbraw/zinc/85/35/85/606853585.db2.gz QPOADVWMCFDILJ-SECBINFHSA-N 0 1 380.430 0.615 20 0 GCADMN NC(=O)c1ccc(N2CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000822885929 606862702 /nfs/dbraw/zinc/86/27/02/606862702.db2.gz VTKNHLUPAAQKDW-GOSISDBHSA-N 0 1 393.451 0.821 20 0 GCADMN O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)S(=O)(=O)CC2 ZINC000477429008 606870086 /nfs/dbraw/zinc/87/00/86/606870086.db2.gz UEHYSAWZSOVCLE-UHFFFAOYSA-N 0 1 391.434 0.997 20 0 GCADMN CS(=O)(=O)NC[C@H]1CCCCN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821931739 606885279 /nfs/dbraw/zinc/88/52/79/606885279.db2.gz GXGIQVSFQZSZNU-HUUCEWRRSA-N 0 1 380.474 0.304 20 0 GCADMN C[C@@H](CN1CCCC1=O)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820254751 606885800 /nfs/dbraw/zinc/88/58/00/606885800.db2.gz WDIMSRZGASNNSX-QMMMGPOBSA-N 0 1 386.384 0.434 20 0 GCADMN CCc1nc(CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)no1 ZINC000821505002 606890421 /nfs/dbraw/zinc/89/04/21/606890421.db2.gz NZNRDSCGVZHSKS-UHFFFAOYSA-N 0 1 385.356 0.611 20 0 GCADMN O=S(=O)(NCCOC[C@H]1CCOC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578257 606890975 /nfs/dbraw/zinc/89/09/75/606890975.db2.gz KLNVBPMBJMPWBM-VIFPVBQESA-N 0 1 389.384 0.476 20 0 GCADMN CC(C)(C)[S@@](=O)CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000819951800 606891447 /nfs/dbraw/zinc/89/14/47/606891447.db2.gz WTRKTQSLHJDHBG-DEOSSOPVSA-N 0 1 393.441 0.970 20 0 GCADMN CC(C)(C)[S@](=O)CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000819951807 606891768 /nfs/dbraw/zinc/89/17/68/606891768.db2.gz WTRKTQSLHJDHBG-XMMPIXPASA-N 0 1 393.441 0.970 20 0 GCADMN NC(=O)C1(CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCCC1 ZINC000822850722 606893033 /nfs/dbraw/zinc/89/30/33/606893033.db2.gz OIGNUFCIVJMDTD-UHFFFAOYSA-N 0 1 386.384 0.469 20 0 GCADMN C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1=O ZINC000820678695 606893548 /nfs/dbraw/zinc/89/35/48/606893548.db2.gz 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GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000823125999 607213841 /nfs/dbraw/zinc/21/38/41/607213841.db2.gz FAGSGJPIVQXXSD-GFCCVEGCSA-N 0 1 382.384 0.593 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(CN2CCc3ccccc32)CC1 ZINC000823123442 607216216 /nfs/dbraw/zinc/21/62/16/607216216.db2.gz ZXPQNTMCPSHTTD-UHFFFAOYSA-N 0 1 393.455 0.760 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(Br)cc1F ZINC000823132029 607216312 /nfs/dbraw/zinc/21/63/12/607216312.db2.gz WBZZMVMOQIZNCJ-UHFFFAOYSA-N 0 1 381.169 0.676 20 0 GCADMN C[S@@](=O)Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1Cl ZINC000821941120 607217486 /nfs/dbraw/zinc/21/74/86/607217486.db2.gz CJWLHINJXICWCH-RUZDIDTESA-N 0 1 380.821 0.629 20 0 GCADMN Cc1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)ccc1OC1CCOCC1 ZINC000822208315 607219165 /nfs/dbraw/zinc/21/91/65/607219165.db2.gz LZLOUUJWBSWNLH-UHFFFAOYSA-N 0 1 384.400 0.963 20 0 GCADMN Cc1ccc(NC(=O)N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000822248722 607219522 /nfs/dbraw/zinc/21/95/22/607219522.db2.gz KPFBHEXALYIXGX-UHFFFAOYSA-N 0 1 396.415 0.143 20 0 GCADMN Cc1cccc(C2(O)CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)c1C ZINC000822299511 607219528 /nfs/dbraw/zinc/21/95/28/607219528.db2.gz LGRJQLHKRVKOIS-UHFFFAOYSA-N 0 1 382.428 0.585 20 0 GCADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(-c2cccc(F)c2)no1 ZINC000820335125 607220044 /nfs/dbraw/zinc/22/00/44/607220044.db2.gz TXESQOGDIGIJCY-QMMMGPOBSA-N 0 1 384.335 0.525 20 0 GCADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820721845 607220516 /nfs/dbraw/zinc/22/05/16/607220516.db2.gz CCVMYHXKBLHBOQ-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820721845 607220517 /nfs/dbraw/zinc/22/05/17/607220517.db2.gz CCVMYHXKBLHBOQ-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820721845 607220518 /nfs/dbraw/zinc/22/05/18/607220518.db2.gz CCVMYHXKBLHBOQ-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821198829 607220841 /nfs/dbraw/zinc/22/08/41/607220841.db2.gz WRVADWVWQIFECY-MRXNPFEDSA-N 0 1 395.471 0.829 20 0 GCADMN CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821198829 607220842 /nfs/dbraw/zinc/22/08/42/607220842.db2.gz WRVADWVWQIFECY-MRXNPFEDSA-N 0 1 395.471 0.829 20 0 GCADMN CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821198829 607220843 /nfs/dbraw/zinc/22/08/43/607220843.db2.gz WRVADWVWQIFECY-MRXNPFEDSA-N 0 1 395.471 0.829 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000823176583 607221168 /nfs/dbraw/zinc/22/11/68/607221168.db2.gz VRRZKSOFSHKITK-CQSZACIVSA-N 0 1 395.427 0.269 20 0 GCADMN C[NH+]1CCC(N(Cc2ccccc2)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821622041 607221583 /nfs/dbraw/zinc/22/15/83/607221583.db2.gz PVRWBFLOVUDMPE-UHFFFAOYSA-N 0 1 381.444 0.581 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000823127132 607221721 /nfs/dbraw/zinc/22/17/21/607221721.db2.gz UJPFECWWSDZUCY-NSHDSACASA-N 0 1 387.791 0.033 20 0 GCADMN Cc1ccnc(Oc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc2)n1 ZINC000822379758 607222347 /nfs/dbraw/zinc/22/23/47/607222347.db2.gz UADPQPXKTCWJAA-UHFFFAOYSA-N 0 1 378.356 0.988 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000823126327 607222665 /nfs/dbraw/zinc/22/26/65/607222665.db2.gz HZMGHKBSVNKLHY-SECBINFHSA-N 0 1 375.343 0.132 20 0 GCADMN CCCC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821043874 607223005 /nfs/dbraw/zinc/22/30/05/607223005.db2.gz UTTJVVRUYIMKHI-NSHDSACASA-N 0 1 393.452 0.658 20 0 GCADMN C[C@H](O)C[C@H]1CCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000824699297 607784510 /nfs/dbraw/zinc/78/45/10/607784510.db2.gz RHOYOGXMOABWBJ-DZGCQCFKSA-N 0 1 399.455 0.824 20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000826174601 607792372 /nfs/dbraw/zinc/79/23/72/607792372.db2.gz CMDGAGJYBCFZDW-LLVKDONJSA-N 0 1 385.388 0.173 20 0 GCADMN O=C(CN1CCC(Cn2ccnn2)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410617 607801967 /nfs/dbraw/zinc/80/19/67/607801967.db2.gz SPKOTHCHZXOYJI-UHFFFAOYSA-N 0 1 381.444 0.487 20 0 GCADMN C[C@H]1C[C@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C[N@H+]1Cc1ccccc1 ZINC000824874689 607802931 /nfs/dbraw/zinc/80/29/31/607802931.db2.gz FWFGDRZHVMCBGN-HOCLYGCPSA-N 0 1 395.471 0.875 20 0 GCADMN C[C@H]1C[C@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[N@@H+]1Cc1ccccc1 ZINC000824874689 607802932 /nfs/dbraw/zinc/80/29/32/607802932.db2.gz FWFGDRZHVMCBGN-HOCLYGCPSA-N 0 1 395.471 0.875 20 0 GCADMN C[C@H]1C[C@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[N@H+]1Cc1ccccc1 ZINC000824874689 607802933 /nfs/dbraw/zinc/80/29/33/607802933.db2.gz FWFGDRZHVMCBGN-HOCLYGCPSA-N 0 1 395.471 0.875 20 0 GCADMN CCN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C[C@@H]1C ZINC000825460485 607825832 /nfs/dbraw/zinc/82/58/32/607825832.db2.gz YRHLUVQOYTVQTM-LBPRGKRZSA-N 0 1 381.444 0.801 20 0 GCADMN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C1 ZINC000826146561 607858948 /nfs/dbraw/zinc/85/89/48/607858948.db2.gz XRTONFMFFBYLFA-HPBDAGMYSA-N 0 1 389.456 0.875 20 0 GCADMN CC(C)CN1CCO[C@@H](CNC(=O)COc2cccc(F)c2-c2nn[nH]n2)C1 ZINC000824261876 607864191 /nfs/dbraw/zinc/86/41/91/607864191.db2.gz SODHETSVINNKHW-ZDUSSCGKSA-N 0 1 392.435 0.858 20 0 GCADMN CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000826067085 607929289 /nfs/dbraw/zinc/92/92/89/607929289.db2.gz AKEKGARWERGYOH-JTQLQIEISA-N 0 1 379.446 0.580 20 0 GCADMN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1cccc(-c2nn[n-]n2)n1 ZINC000825870403 607934366 /nfs/dbraw/zinc/93/43/66/607934366.db2.gz KUIPZIOESXPFJP-INIZCTEOSA-N 0 1 380.456 0.963 20 0 GCADMN Cn1c(=O)c(-c2nnn[n-]2)c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n(C)c1=O ZINC000826029380 607968033 /nfs/dbraw/zinc/96/80/33/607968033.db2.gz RQRFICPNDRFIDH-OCCSQVGLSA-N 0 1 382.428 0.121 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n(C)c1=O ZINC000826029380 607968034 /nfs/dbraw/zinc/96/80/34/607968034.db2.gz RQRFICPNDRFIDH-OCCSQVGLSA-N 0 1 382.428 0.121 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n(C)c1=O ZINC000826029380 607968035 /nfs/dbraw/zinc/96/80/35/607968035.db2.gz RQRFICPNDRFIDH-OCCSQVGLSA-N 0 1 382.428 0.121 20 0 GCADMN CCn1cc(C(=O)C(=O)N(CCN(C)C)Cc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000825800010 607975951 /nfs/dbraw/zinc/97/59/51/607975951.db2.gz ZAFHFBZTRFGTME-UHFFFAOYSA-N 0 1 396.455 0.856 20 0 GCADMN CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826227848 608001059 /nfs/dbraw/zinc/00/10/59/608001059.db2.gz YPIVWWJIDKUGGM-LDWIPMOCSA-N 0 1 379.414 0.536 20 0 GCADMN O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000826485865 608002616 /nfs/dbraw/zinc/00/26/16/608002616.db2.gz GGJKXNPVMUNBRV-KGLIPLIRSA-N 0 1 396.448 0.288 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)CCO3)c1-c1nnn[n-]1 ZINC000826077169 608018892 /nfs/dbraw/zinc/01/88/92/608018892.db2.gz BWZGJZUPDYCAIE-UHFFFAOYSA-N 0 1 382.428 0.858 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)CCO3)c1-c1nn[n-]n1 ZINC000826077169 608018893 /nfs/dbraw/zinc/01/88/93/608018893.db2.gz BWZGJZUPDYCAIE-UHFFFAOYSA-N 0 1 382.428 0.858 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ncc3ccccc32)c1-c1nnn[n-]1 ZINC000826077795 608019561 /nfs/dbraw/zinc/01/95/61/608019561.db2.gz WHGQATJIAWJYCO-UHFFFAOYSA-N 0 1 380.416 0.730 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2ncc3ccccc32)c1-c1nn[n-]n1 ZINC000826077795 608019562 /nfs/dbraw/zinc/01/95/62/608019562.db2.gz WHGQATJIAWJYCO-UHFFFAOYSA-N 0 1 380.416 0.730 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c3ccccc3[nH]c2=O)c1-c1nnn[n-]1 ZINC000826077593 608019780 /nfs/dbraw/zinc/01/97/80/608019780.db2.gz NUHVKIGZSJJZSO-UHFFFAOYSA-N 0 1 396.415 0.436 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c3ccccc3[nH]c2=O)c1-c1nn[n-]n1 ZINC000826077593 608019781 /nfs/dbraw/zinc/01/97/81/608019781.db2.gz NUHVKIGZSJJZSO-UHFFFAOYSA-N 0 1 396.415 0.436 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(C(=O)OC)c2)c1-c1nnn[n-]1 ZINC000826077887 608019920 /nfs/dbraw/zinc/01/99/20/608019920.db2.gz YSEMIERGZZYVQX-UHFFFAOYSA-N 0 1 398.427 0.710 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(C(=O)OC)c2)c1-c1nn[n-]n1 ZINC000826077887 608019921 /nfs/dbraw/zinc/01/99/21/608019921.db2.gz YSEMIERGZZYVQX-UHFFFAOYSA-N 0 1 398.427 0.710 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826073540 608020269 /nfs/dbraw/zinc/02/02/69/608020269.db2.gz WNICHNQYABTKMI-GHMZBOCLSA-N 0 1 378.437 0.264 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826073540 608020270 /nfs/dbraw/zinc/02/02/70/608020270.db2.gz WNICHNQYABTKMI-GHMZBOCLSA-N 0 1 378.437 0.264 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c(C)c(C)sc2=O)c1-c1nnn[n-]1 ZINC000826077345 608020478 /nfs/dbraw/zinc/02/04/78/608020478.db2.gz DWXMEOKIIHXKBB-UHFFFAOYSA-N 0 1 391.461 0.221 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cn2c(C)c(C)sc2=O)c1-c1nn[n-]n1 ZINC000826077345 608020479 /nfs/dbraw/zinc/02/04/79/608020479.db2.gz DWXMEOKIIHXKBB-UHFFFAOYSA-N 0 1 391.461 0.221 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(-n3cccn3)c2)c1-c1nnn[n-]1 ZINC000826083090 608020755 /nfs/dbraw/zinc/02/07/55/608020755.db2.gz IJVKIYLQEBFLCL-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccnc(-n3cccn3)c2)c1-c1nn[n-]n1 ZINC000826083090 608020756 /nfs/dbraw/zinc/02/07/56/608020756.db2.gz IJVKIYLQEBFLCL-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)CC(C)C)c1-c1nnn[n-]1 ZINC000826077692 608021372 /nfs/dbraw/zinc/02/13/72/608021372.db2.gz QTNWIGIQZDAPBH-UHFFFAOYSA-N 0 1 377.453 0.233 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)CC(C)C)c1-c1nn[n-]n1 ZINC000826077692 608021373 /nfs/dbraw/zinc/02/13/73/608021373.db2.gz QTNWIGIQZDAPBH-UHFFFAOYSA-N 0 1 377.453 0.233 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1-c1nnn[n-]1 ZINC000826084251 608021551 /nfs/dbraw/zinc/02/15/51/608021551.db2.gz WDXKSCPHAUEOQK-UHFFFAOYSA-N 0 1 382.388 0.576 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1-c1nn[n-]n1 ZINC000826084251 608021552 /nfs/dbraw/zinc/02/15/52/608021552.db2.gz WDXKSCPHAUEOQK-UHFFFAOYSA-N 0 1 382.388 0.576 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC3CC3)nc2)c1-c1nnn[n-]1 ZINC000826084289 608021608 /nfs/dbraw/zinc/02/16/08/608021608.db2.gz XYEVUNLTHNUCGQ-UHFFFAOYSA-N 0 1 382.432 0.963 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(NC3CC3)nc2)c1-c1nn[n-]n1 ZINC000826084289 608021609 /nfs/dbraw/zinc/02/16/09/608021609.db2.gz XYEVUNLTHNUCGQ-UHFFFAOYSA-N 0 1 382.432 0.963 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc3nccn23)c1-c1nnn[n-]1 ZINC000826077522 608022040 /nfs/dbraw/zinc/02/20/40/608022040.db2.gz KYHOLPIRNAMORX-UHFFFAOYSA-N 0 1 386.445 0.632 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2csc3nccn23)c1-c1nn[n-]n1 ZINC000826077522 608022041 /nfs/dbraw/zinc/02/20/41/608022041.db2.gz KYHOLPIRNAMORX-UHFFFAOYSA-N 0 1 386.445 0.632 20 0 GCADMN NC(=O)c1n[nH]c2ccc(NC(=O)CNc3ccc(-c4nn[nH]n4)cc3)cc21 ZINC000826394134 608041513 /nfs/dbraw/zinc/04/15/13/608041513.db2.gz YBKCNYVWWBIFSJ-UHFFFAOYSA-N 0 1 377.368 0.893 20 0 GCADMN Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)NC[C@](C)(O)C(F)(F)F ZINC000826232850 608042336 /nfs/dbraw/zinc/04/23/36/608042336.db2.gz KTYTVDZEIKAGRZ-AWEZNQCLSA-N 0 1 388.350 0.946 20 0 GCADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826432949 608074986 /nfs/dbraw/zinc/07/49/86/608074986.db2.gz QCSLOZRHRVQHLB-YOEHRIQHSA-N 0 1 381.440 0.808 20 0 GCADMN COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000826187708 608087798 /nfs/dbraw/zinc/08/77/98/608087798.db2.gz BZLJIUGWHDJCGR-KDOFPFPSSA-N 0 1 398.427 0.366 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000825870628 608106522 /nfs/dbraw/zinc/10/65/22/608106522.db2.gz VPFLRUNAPMYXKK-UHFFFAOYSA-N 0 1 386.420 0.257 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000825870628 608106523 /nfs/dbraw/zinc/10/65/23/608106523.db2.gz VPFLRUNAPMYXKK-UHFFFAOYSA-N 0 1 386.420 0.257 20 0 GCADMN CCc1nc([C@H](C)NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC)n[nH]1 ZINC000825739448 608107468 /nfs/dbraw/zinc/10/74/68/608107468.db2.gz DIXWVPGCWVKBLZ-QMMMGPOBSA-N 0 1 385.388 0.372 20 0 GCADMN CN(CC(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[C@H]1CCSC1 ZINC000825892144 608108986 /nfs/dbraw/zinc/10/89/86/608108986.db2.gz GYPXGMATFSVRHB-ZDUSSCGKSA-N 0 1 388.501 0.348 20 0 GCADMN CCNS(=O)(=O)[C@H]1CCN(CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000825476388 608211986 /nfs/dbraw/zinc/21/19/86/608211986.db2.gz IKMBOAMKYDJPLH-LBPRGKRZSA-N 0 1 393.473 0.209 20 0 GCADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCOC[C@@H]1C1CC1 ZINC000826424361 608231613 /nfs/dbraw/zinc/23/16/13/608231613.db2.gz IXOZPBNUYZQQJZ-MRXNPFEDSA-N 0 1 380.408 0.819 20 0 GCADMN CNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826060746 608239975 /nfs/dbraw/zinc/23/99/75/608239975.db2.gz SCWXIOCEXTZRIW-KWQFWETISA-N 0 1 386.384 0.338 20 0 GCADMN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000826060280 608253960 /nfs/dbraw/zinc/25/39/60/608253960.db2.gz JRXQSCNAHNCMAZ-XVKPBYJWSA-N 0 1 377.430 0.334 20 0 GCADMN O=C(CN[C@@]1(CO)CCc2ccccc21)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412204 608254665 /nfs/dbraw/zinc/25/46/65/608254665.db2.gz GGYALFQPLHCNNA-HXUWFJFHSA-N 0 1 378.436 0.907 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[N@H+](C)C1CC1 ZINC000824422394 608352988 /nfs/dbraw/zinc/35/29/88/608352988.db2.gz ZDSWDTANEYLGFC-SNVBAGLBSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[N@@H+](C)C1CC1 ZINC000824422394 608352991 /nfs/dbraw/zinc/35/29/91/608352991.db2.gz ZDSWDTANEYLGFC-SNVBAGLBSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[N@H+](C)C1CC1 ZINC000824422394 608352993 /nfs/dbraw/zinc/35/29/93/608352993.db2.gz ZDSWDTANEYLGFC-SNVBAGLBSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[N@@H+](C)C1CC1 ZINC000824422394 608352995 /nfs/dbraw/zinc/35/29/95/608352995.db2.gz ZDSWDTANEYLGFC-SNVBAGLBSA-N 0 1 389.464 0.356 20 0 GCADMN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825860863 608353363 /nfs/dbraw/zinc/35/33/63/608353363.db2.gz ZOVNAHFYWVSSHY-NSHDSACASA-N 0 1 389.464 0.167 20 0 GCADMN C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825860863 608353365 /nfs/dbraw/zinc/35/33/65/608353365.db2.gz ZOVNAHFYWVSSHY-NSHDSACASA-N 0 1 389.464 0.167 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000824882370 608354772 /nfs/dbraw/zinc/35/47/72/608354772.db2.gz AQDFDNLMEYVKRT-GHMZBOCLSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000824882370 608354773 /nfs/dbraw/zinc/35/47/73/608354773.db2.gz AQDFDNLMEYVKRT-GHMZBOCLSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000824882370 608354775 /nfs/dbraw/zinc/35/47/75/608354775.db2.gz AQDFDNLMEYVKRT-GHMZBOCLSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000824882370 608354777 /nfs/dbraw/zinc/35/47/77/608354777.db2.gz AQDFDNLMEYVKRT-GHMZBOCLSA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000824967643 608356239 /nfs/dbraw/zinc/35/62/39/608356239.db2.gz LXSBAFQBTKDPTN-CMPLNLGQSA-N 0 1 389.464 0.165 20 0 GCADMN C[C@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000824967643 608356240 /nfs/dbraw/zinc/35/62/40/608356240.db2.gz LXSBAFQBTKDPTN-CMPLNLGQSA-N 0 1 389.464 0.165 20 0 GCADMN CCOC[C@@H](O)CN1CCN(Cc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000825590269 608359137 /nfs/dbraw/zinc/35/91/37/608359137.db2.gz RWPHFTLVASPMTQ-INIZCTEOSA-N 0 1 376.461 0.390 20 0 GCADMN Cc1nc([C@H]2CN(C(=O)C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CCO2)n[nH]1 ZINC000826322159 608363445 /nfs/dbraw/zinc/36/34/45/608363445.db2.gz APKZBBATMJVNCV-CYBMUJFWSA-N 0 1 397.399 0.140 20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1CN1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000826168842 608370463 /nfs/dbraw/zinc/37/04/63/608370463.db2.gz AFVFQPPPZSIWSB-GFCCVEGCSA-N 0 1 380.474 0.637 20 0 GCADMN O=C(NCCCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F)C(F)(F)F ZINC000826436818 608394353 /nfs/dbraw/zinc/39/43/53/608394353.db2.gz KEJXSYIVKALITJ-UHFFFAOYSA-N 0 1 381.311 0.848 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C[C@H]1N(C)C ZINC000826226508 608443667 /nfs/dbraw/zinc/44/36/67/608443667.db2.gz AXZDKWOLSFYZOF-CHWSQXEVSA-N 0 1 382.515 0.841 20 0 GCADMN CCOC(=O)N1CCN(C(=O)CN[C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825518019 608465634 /nfs/dbraw/zinc/46/56/34/608465634.db2.gz RXAMEPAHCCZHBY-ZDUSSCGKSA-N 0 1 387.444 0.818 20 0 GCADMN CCN(CC)CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)[C@@H]1CCS(=O)(=O)C1 ZINC000825411897 608472181 /nfs/dbraw/zinc/47/21/81/608472181.db2.gz GYCPZSVLZKKNJW-CYBMUJFWSA-N 0 1 395.489 0.166 20 0 GCADMN CCN(C(=O)CN[C@H](C)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825372326 608490061 /nfs/dbraw/zinc/49/00/61/608490061.db2.gz VRAUCHULGNWAOJ-IUODEOHRSA-N 0 1 392.485 0.553 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-c3nc[nH]n3)c2)c1-c1nn[n-]n1 ZINC000826083532 608528339 /nfs/dbraw/zinc/52/83/39/608528339.db2.gz MAEYKIJWNBZEBN-UHFFFAOYSA-N 0 1 393.415 0.779 20 0 GCADMN CCOC(=O)N1CCN(C(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000825518148 608532216 /nfs/dbraw/zinc/53/22/16/608532216.db2.gz SRWWUYUSYHWRFO-UHFFFAOYSA-N 0 1 399.455 0.746 20 0 GCADMN O=C(NCCN1CCC1)NC1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826437195 608626362 /nfs/dbraw/zinc/62/63/62/608626362.db2.gz AAZVWHYBLDYHGE-UHFFFAOYSA-N 0 1 386.460 0.957 20 0 GCADMN Cn1ccnc1CN1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826364516 608688590 /nfs/dbraw/zinc/68/85/90/608688590.db2.gz YQZAGAMZKDPIDX-UHFFFAOYSA-N 0 1 392.471 0.956 20 0 GCADMN CCOC[C@H](O)CN1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825590429 608689484 /nfs/dbraw/zinc/68/94/84/608689484.db2.gz UOVKLVITWGKTEQ-MRXNPFEDSA-N 0 1 386.460 0.029 20 0 GCADMN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C)CC1 ZINC000823980516 608746456 /nfs/dbraw/zinc/74/64/56/608746456.db2.gz DTNDSELOZMGQSF-WFASDCNBSA-N 0 1 375.502 0.913 20 0 GCADMN CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C)CC1 ZINC000823980516 608746458 /nfs/dbraw/zinc/74/64/58/608746458.db2.gz DTNDSELOZMGQSF-WFASDCNBSA-N 0 1 375.502 0.913 20 0 GCADMN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)CC1 ZINC000823980516 608746460 /nfs/dbraw/zinc/74/64/60/608746460.db2.gz DTNDSELOZMGQSF-WFASDCNBSA-N 0 1 375.502 0.913 20 0 GCADMN CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C)CC1 ZINC000823980516 608746462 /nfs/dbraw/zinc/74/64/62/608746462.db2.gz DTNDSELOZMGQSF-WFASDCNBSA-N 0 1 375.502 0.913 20 0 GCADMN COC[C@@H](C)NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826164409 608762560 /nfs/dbraw/zinc/76/25/60/608762560.db2.gz XWKBAOPTDMVBLH-SNVBAGLBSA-N 0 1 376.421 0.599 20 0 GCADMN CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC000825517802 608846979 /nfs/dbraw/zinc/84/69/79/608846979.db2.gz NAEZXDIDCQKLBK-UHFFFAOYSA-N 0 1 378.458 0.820 20 0 GCADMN CCOC(=O)CNC(=O)C1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC000825517802 608846980 /nfs/dbraw/zinc/84/69/80/608846980.db2.gz NAEZXDIDCQKLBK-UHFFFAOYSA-N 0 1 378.458 0.820 20 0 GCADMN Cc1cc(C(=O)NC[C@@H]2CN(C)CCN2C)nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000826259495 609155571 /nfs/dbraw/zinc/15/55/71/609155571.db2.gz UTMPMGKTUKIYNR-MRXNPFEDSA-N 0 1 395.471 0.336 20 0 GCADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826432612 609216765 /nfs/dbraw/zinc/21/67/65/609216765.db2.gz GKZPLFHJSQXLNW-RHSMWYFYSA-N 0 1 381.440 0.808 20 0 GCADMN O=C(N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826432613 609216848 /nfs/dbraw/zinc/21/68/48/609216848.db2.gz GKZPLFHJSQXLNW-WMLDXEAASA-N 0 1 381.440 0.808 20 0 GCADMN CCC[C@@H]1CN(C(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825253510 609257957 /nfs/dbraw/zinc/25/79/57/609257957.db2.gz NEOMJJACNKVBLZ-IAGOWNOFSA-N 0 1 388.472 0.859 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826425639 609267226 /nfs/dbraw/zinc/26/72/26/609267226.db2.gz MFYJNVKBNYQJRD-CYBMUJFWSA-N 0 1 382.432 0.964 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000825929832 609301119 /nfs/dbraw/zinc/30/11/19/609301119.db2.gz LDWAFDWTTCBHKW-LLVKDONJSA-N 0 1 388.480 0.230 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000825929832 609301120 /nfs/dbraw/zinc/30/11/20/609301120.db2.gz LDWAFDWTTCBHKW-LLVKDONJSA-N 0 1 388.480 0.230 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000825929832 609301122 /nfs/dbraw/zinc/30/11/22/609301122.db2.gz LDWAFDWTTCBHKW-LLVKDONJSA-N 0 1 388.480 0.230 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000825929832 609301124 /nfs/dbraw/zinc/30/11/24/609301124.db2.gz LDWAFDWTTCBHKW-LLVKDONJSA-N 0 1 388.480 0.230 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1-c1nnn[n-]1 ZINC000826229952 609301187 /nfs/dbraw/zinc/30/11/87/609301187.db2.gz XSWFNVAHTLNDDV-ZJUUUORDSA-N 0 1 375.458 0.998 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1-c1nn[n-]n1 ZINC000826229952 609301188 /nfs/dbraw/zinc/30/11/88/609301188.db2.gz XSWFNVAHTLNDDV-ZJUUUORDSA-N 0 1 375.458 0.998 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1-c1nn[n-]n1 ZINC000826229952 609301189 /nfs/dbraw/zinc/30/11/89/609301189.db2.gz XSWFNVAHTLNDDV-ZJUUUORDSA-N 0 1 375.458 0.998 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC000826229618 609301503 /nfs/dbraw/zinc/30/15/03/609301503.db2.gz KYAHRSBWHPXOSU-OIBJUYFYSA-N 0 1 377.430 0.463 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000825929855 609302780 /nfs/dbraw/zinc/30/27/80/609302780.db2.gz MOAKWTWXFPICMB-UHFFFAOYSA-N 0 1 390.496 0.620 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000825929855 609302781 /nfs/dbraw/zinc/30/27/81/609302781.db2.gz MOAKWTWXFPICMB-UHFFFAOYSA-N 0 1 390.496 0.620 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000825929855 609302783 /nfs/dbraw/zinc/30/27/83/609302783.db2.gz MOAKWTWXFPICMB-UHFFFAOYSA-N 0 1 390.496 0.620 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000825929855 609302785 /nfs/dbraw/zinc/30/27/85/609302785.db2.gz MOAKWTWXFPICMB-UHFFFAOYSA-N 0 1 390.496 0.620 20 0 GCADMN C[C@H](CNCc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)S(C)(=O)=O ZINC000824427825 609342511 /nfs/dbraw/zinc/34/25/11/609342511.db2.gz PQUXYIMZOXZMAT-LLVKDONJSA-N 0 1 375.458 0.790 20 0 GCADMN COC(=O)C1=C(C)O[C@@H](C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826129314 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CS(=O)(=O)N1CCN(CCN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)CC1 ZINC000645404073 1195794624 /nfs/dbraw/zinc/79/46/24/1195794624.db2.gz BIXNUXBPPVVHFM-OAHLLOKOSA-N 0 1 382.465 0.200 20 0 GCADMN O=C(CCc1nc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1Cc2ccccc2O1 ZINC001719885963 1195803126 /nfs/dbraw/zinc/80/31/26/1195803126.db2.gz NBGGHQSYPNWGGT-PNBKFKSVSA-N 0 1 381.436 0.989 20 0 GCADMN O=C(CCc1nc[nH]n1)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1nccn2ccnc12 ZINC001719886080 1195803300 /nfs/dbraw/zinc/80/33/00/1195803300.db2.gz QFCXMXBXUUKBOU-UPJWGTAASA-N 0 1 380.412 0.342 20 0 GCADMN COC(=O)[C@@H]1CCCN(CC2=Nc3ccccc3S(=O)(=O)N2)[C@H]1C(=O)OC ZINC000441641074 1195804652 /nfs/dbraw/zinc/80/46/52/1195804652.db2.gz YTXPJRJVOVARFC-IAQYHMDHSA-N 0 1 395.437 0.435 20 0 GCADMN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](CNC(=O)C2=NC(=O)N(C)C2)C1 ZINC000983946893 1195806842 /nfs/dbraw/zinc/80/68/42/1195806842.db2.gz ZTXODAXOVFKSJR-ULNKRNLDSA-N 0 1 388.468 0.906 20 0 GCADMN NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000520632987 1195807390 /nfs/dbraw/zinc/80/73/90/1195807390.db2.gz OYOCRFVDCSMZRR-KRWDZBQOSA-N 0 1 392.415 0.471 20 0 GCADMN C[C@@H]1OCC[C@@]12CN(C(=O)NCc1cccnc1N1CCN(C)CC1)CCO2 ZINC000280831470 1195809758 /nfs/dbraw/zinc/80/97/58/1195809758.db2.gz ODSNXJCMWCKLPV-OXJNMPFZSA-N 0 1 389.500 0.923 20 0 GCADMN C[C@H](C(=O)NC(N)=O)N1CCC(C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC001270892133 1195820820 /nfs/dbraw/zinc/82/08/20/1195820820.db2.gz CBJOWUHVMXQUGJ-JEWKUQAESA-N 0 1 378.473 0.212 20 0 GCADMN Cc1ncc(C(=O)N2CCC[C@H](N(C)C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)[nH]1 ZINC000983980527 1195821441 /nfs/dbraw/zinc/82/14/41/1195821441.db2.gz LIDYLUVTKVCMNU-QBYUYEEZSA-N 0 1 376.457 0.833 20 0 GCADMN CC(C)(O)CN1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]23)CC1 ZINC000520694215 1195824039 /nfs/dbraw/zinc/82/40/39/1195824039.db2.gz BGGBNBQZVRYQSI-IJEWVQPXSA-N 0 1 384.546 0.627 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000520702897 1195826652 /nfs/dbraw/zinc/82/66/52/1195826652.db2.gz ONKCRRUWRCNOFK-OAHLLOKOSA-N 0 1 394.520 0.176 20 0 GCADMN NS(=O)(=O)c1ccc(N2CCN(CCC(=O)N3CCCCC3)CC2)cc1 ZINC000097490707 1195832729 /nfs/dbraw/zinc/83/27/29/1195832729.db2.gz QIDYCVHWPUYNAQ-UHFFFAOYSA-N 0 1 380.514 0.859 20 0 GCADMN CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1CCN2CCCC[C@@H]2C1 ZINC001745885798 1195834029 /nfs/dbraw/zinc/83/40/29/1195834029.db2.gz JBJYZKQUNMMFPT-OAHLLOKOSA-N 0 1 384.488 0.888 20 0 GCADMN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c(NC(N)=O)c2)cn1C ZINC000487399509 1195834529 /nfs/dbraw/zinc/83/45/29/1195834529.db2.gz BVFBVSLVNHXPFX-UHFFFAOYSA-N 0 1 381.414 0.685 20 0 GCADMN O=C(NC[C@]1(O)CCOC1)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 ZINC000441747234 1195835456 /nfs/dbraw/zinc/83/54/56/1195835456.db2.gz FHOMNBMLPXFECZ-MRXNPFEDSA-N 0 1 393.425 0.550 20 0 GCADMN COCCOc1ccc(S(=O)(=O)N[C@H](C)CN2CCN(C)CC2)cc1C ZINC000520739398 1195841748 /nfs/dbraw/zinc/84/17/48/1195841748.db2.gz MIEHYIZQHKRZPC-MRXNPFEDSA-N 0 1 385.530 0.934 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000579610501 1195843315 /nfs/dbraw/zinc/84/33/15/1195843315.db2.gz CLGBQZORWSDBKU-GFCCVEGCSA-N 0 1 391.453 0.348 20 0 GCADMN CCN(C[C@@H](O)C(F)(F)F)C(=O)C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1 ZINC000441800922 1195851124 /nfs/dbraw/zinc/85/11/24/1195851124.db2.gz HXYFYVWSGBPDGP-SNVBAGLBSA-N 0 1 387.318 0.372 20 0 GCADMN CC(C)NC(=O)NCc1ccc(C(=O)NCCCN2CCC[C@@H]2C(N)=O)cc1 ZINC000520771739 1195851749 /nfs/dbraw/zinc/85/17/49/1195851749.db2.gz PEVLHWDTWHSSJU-QGZVFWFLSA-N 0 1 389.500 0.964 20 0 GCADMN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@H](c3n[nH]c(=O)o3)C1)C2=O ZINC000507876570 1195868535 /nfs/dbraw/zinc/86/85/35/1195868535.db2.gz XCEIRFQVUMQJPQ-SOZUMNATSA-N 0 1 391.428 0.982 20 0 GCADMN CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc2cn[nH]c2cc1C ZINC000427705638 1195868703 /nfs/dbraw/zinc/86/87/03/1195868703.db2.gz PQJPBVWKKYTAST-MNOVXSKESA-N 0 1 389.412 0.382 20 0 GCADMN CCn1cc(-c2[nH]ncc2C(=O)NCCN2C(=O)NC3(CCCC3)C2=O)cn1 ZINC000427831374 1195883219 /nfs/dbraw/zinc/88/32/19/1195883219.db2.gz JUOOTINMSKDOBY-UHFFFAOYSA-N 0 1 385.428 0.888 20 0 GCADMN CC(C)CN1CCO[C@H](CNC(=O)CNc2cccc(C(=O)NCCO)c2)C1 ZINC000487406497 1195890115 /nfs/dbraw/zinc/89/01/15/1195890115.db2.gz YQZHXNYNGJOZBV-GOSISDBHSA-N 0 1 392.500 0.294 20 0 GCADMN CNC(=O)c1cccc(CCNC(=O)C(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC000508041791 1195892815 /nfs/dbraw/zinc/89/28/15/1195892815.db2.gz FKBIPBJGGZGKCJ-GOSISDBHSA-N 0 1 386.496 0.838 20 0 GCADMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000427906649 1195895600 /nfs/dbraw/zinc/89/56/00/1195895600.db2.gz SHUWUJBMYYQXCN-UKRRQHHQSA-N 0 1 396.465 0.853 20 0 GCADMN Cc1ccc2c(=O)c(C(=O)NCCNS(=O)(=O)Cc3ccon3)c[n-]c2[nH+]1 ZINC000427988131 1195902847 /nfs/dbraw/zinc/90/28/47/1195902847.db2.gz NFSLRNGSZSUBPX-UHFFFAOYSA-N 0 1 391.409 0.481 20 0 GCADMN CC[C@H]1CN(CCNC(=O)CCN2CCN(c3ccccn3)CC2)CCO1 ZINC000428059686 1195906599 /nfs/dbraw/zinc/90/65/99/1195906599.db2.gz RIBKYEUIKCYOBC-SFHVURJKSA-N 0 1 375.517 0.821 20 0 GCADMN COc1cc(C(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)cc(NS(C)(=O)=O)c1OC ZINC000428132302 1195915300 /nfs/dbraw/zinc/91/53/00/1195915300.db2.gz TYYDWYBXLWGCDK-GXFFZTMASA-N 0 1 399.469 0.801 20 0 GCADMN COc1cc(C(=O)N2CC[C@H](C)C[C@H]2C(N)=O)cc(NS(C)(=O)=O)c1OC ZINC000428132301 1195915388 /nfs/dbraw/zinc/91/53/88/1195915388.db2.gz TYYDWYBXLWGCDK-GWCFXTLKSA-N 0 1 399.469 0.801 20 0 GCADMN CN(CC(=O)N1CCNCC1)C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000428174599 1195918347 /nfs/dbraw/zinc/91/83/47/1195918347.db2.gz IKKCEDGZJTUKQM-MRXNPFEDSA-N 0 1 387.484 0.821 20 0 GCADMN CN(CC(=O)N1CCNCC1)C(=O)[C@H]1CCCN(C(=O)NC2CCCC2)C1 ZINC000428177287 1195918639 /nfs/dbraw/zinc/91/86/39/1195918639.db2.gz QDTFSIPVKWMECB-HNNXBMFYSA-N 0 1 379.505 0.241 20 0 GCADMN Cc1cc(C)nc(-n2cc(C(=O)N(C)CC(=O)N3CCNCC3)c(C(C)C)n2)n1 ZINC000428199478 1195919939 /nfs/dbraw/zinc/91/99/39/1195919939.db2.gz NGCDKMFBYVJOPG-UHFFFAOYSA-N 0 1 399.499 0.906 20 0 GCADMN CN(CCN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1)S(C)(=O)=O ZINC001270974334 1195922341 /nfs/dbraw/zinc/92/23/41/1195922341.db2.gz MRPYWSNACCHJFI-ORVJBUBXSA-N 0 1 399.557 0.520 20 0 GCADMN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000520828292 1195924870 /nfs/dbraw/zinc/92/48/70/1195924870.db2.gz RTSNHRUJZAFHHR-CVEARBPZSA-N 0 1 379.501 0.916 20 0 GCADMN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)ccc1C ZINC000441959966 1195934672 /nfs/dbraw/zinc/93/46/72/1195934672.db2.gz RMGYNONPCBDZGG-ZDUSSCGKSA-N 0 1 380.470 0.195 20 0 GCADMN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000441980279 1195936086 /nfs/dbraw/zinc/93/60/86/1195936086.db2.gz RYTGSJALQUUQCL-QGZVFWFLSA-N 0 1 399.495 0.366 20 0 GCADMN CS(=O)(=O)NCc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000441998665 1195938237 /nfs/dbraw/zinc/93/82/37/1195938237.db2.gz DWYUWUQOQNPIQW-CQSZACIVSA-N 0 1 380.470 0.027 20 0 GCADMN COc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cc1-n1nnnc1C ZINC000441985408 1195938615 /nfs/dbraw/zinc/93/86/15/1195938615.db2.gz LXYPLMLPOHMBQL-ZDUSSCGKSA-N 0 1 385.428 0.271 20 0 GCADMN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCN1CCCC1)CC2 ZINC000441989059 1195939350 /nfs/dbraw/zinc/93/93/50/1195939350.db2.gz GVLQBINJTZTIMB-UHFFFAOYSA-N 0 1 394.497 0.086 20 0 GCADMN Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CC3)C2)cc1 ZINC000441985575 1195939418 /nfs/dbraw/zinc/93/94/18/1195939418.db2.gz MSANGHREMPCTQD-HNNXBMFYSA-N 0 1 381.436 0.943 20 0 GCADMN CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@H](C)CN2CCN(C)CC2)CC1 ZINC000520935743 1195939860 /nfs/dbraw/zinc/93/98/60/1195939860.db2.gz KUJCMZAKCBSUFQ-OAHLLOKOSA-N 0 1 389.566 0.078 20 0 GCADMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SCCC(N)=O)C1 ZINC000441993907 1195939952 /nfs/dbraw/zinc/93/99/52/1195939952.db2.gz HHPQTFSNQJHNEE-CYBMUJFWSA-N 0 1 394.497 0.430 20 0 GCADMN COCCN1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C(=O)N2CCCC2)C1 ZINC000441990618 1195939983 /nfs/dbraw/zinc/93/99/83/1195939983.db2.gz YHTAOFCKJPWZMF-OAHLLOKOSA-N 0 1 388.468 0.698 20 0 GCADMN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000441989745 1195940029 /nfs/dbraw/zinc/94/00/29/1195940029.db2.gz UOVVIHKVOOIPHR-INIZCTEOSA-N 0 1 386.452 0.450 20 0 GCADMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O ZINC000520959678 1195940524 /nfs/dbraw/zinc/94/05/24/1195940524.db2.gz GFCKGGOWYGQRMY-UHFFFAOYSA-N 0 1 386.456 0.718 20 0 GCADMN Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CC3)C2)c(OCC(=O)N(C)C)c1 ZINC000442006098 1195940830 /nfs/dbraw/zinc/94/08/30/1195940830.db2.gz YETAFLFWVTUWAM-CQSZACIVSA-N 0 1 388.468 0.753 20 0 GCADMN COCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 ZINC000442010033 1195941901 /nfs/dbraw/zinc/94/19/01/1195941901.db2.gz ZVMNQVOHIYLTAA-LBPRGKRZSA-N 0 1 390.362 0.798 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H](CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)C1 ZINC000984123405 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1197553126 /nfs/dbraw/zinc/55/31/26/1197553126.db2.gz ORICIBPFAQMREE-KRWDZBQOSA-N 0 1 382.468 0.610 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ccn3cncc3c2)CCN1C(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC000989117679 1197553454 /nfs/dbraw/zinc/55/34/54/1197553454.db2.gz OEJSJTMSWDAESC-UTJXIGIESA-N 0 1 383.452 0.968 20 0 GCADMN C[C@@H](NC(=O)c1[nH]nc2c1CCCCC2)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000476009933 1197553870 /nfs/dbraw/zinc/55/38/70/1197553870.db2.gz SWXSOVPVIHKDOE-VXGBXAGGSA-N 0 1 382.486 0.348 20 0 GCADMN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000428614277 1197554155 /nfs/dbraw/zinc/55/41/55/1197554155.db2.gz GFVYTKHPFXFZMT-RDJZCZTQSA-N 0 1 390.484 0.704 20 0 GCADMN O=C(c1cccc(N2CCCNC2=O)c1)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000428614900 1197554244 /nfs/dbraw/zinc/55/42/44/1197554244.db2.gz CWLKMOGZUAYIBD-KRWDZBQOSA-N 0 1 399.495 0.890 20 0 GCADMN O=C(c1cnc2sccn2c1=O)N1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000428619515 1197555190 /nfs/dbraw/zinc/55/51/90/1197555190.db2.gz 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/nfs/dbraw/zinc/95/59/76/1198955976.db2.gz OWFCEHWIBJLTQO-DYEKYZERSA-N 0 1 380.412 0.585 20 0 GCADMN CC(C)[C@H]1CNCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000627298592 1198956047 /nfs/dbraw/zinc/95/60/47/1198956047.db2.gz QYTAMJSYANNMPN-DOTOQJQBSA-N 0 1 390.459 0.894 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cc4ncccn4n2)C3)C1 ZINC000999634386 1198959762 /nfs/dbraw/zinc/95/97/62/1198959762.db2.gz OVDMOEWOQXMSSE-AIANPOQGSA-N 0 1 382.468 0.933 20 0 GCADMN C[C@@]1(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cccc4nc[nH]c42)C3)CNC(=O)C1 ZINC000999666294 1198961385 /nfs/dbraw/zinc/96/13/85/1198961385.db2.gz KELDFPNWFHZQJM-HZVRUGQBSA-N 0 1 381.436 0.951 20 0 GCADMN CC1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]2(C)CNC(=O)C2)CC1 ZINC000999713279 1198965401 /nfs/dbraw/zinc/96/54/01/1198965401.db2.gz ZXGLYNWGYZKELU-NARAOEGZSA-N 0 1 376.501 0.493 20 0 GCADMN CC1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000999709541 1198968621 /nfs/dbraw/zinc/96/86/21/1198968621.db2.gz AUSDGOFWSJDULV-YVSFHVDLSA-N 0 1 376.501 0.635 20 0 GCADMN CC1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2COCCN2C)CC1 ZINC000999713086 1198968858 /nfs/dbraw/zinc/96/88/58/1198968858.db2.gz XMSLKOLATXGFEY-OWSLCNJRSA-N 0 1 378.517 0.297 20 0 GCADMN O=C(Cc1ccn[nH]1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3[nH]c(=O)[nH]c3n1)C2 ZINC000999773208 1198969698 /nfs/dbraw/zinc/96/96/98/1198969698.db2.gz NGIPVCFHVAUGKH-SWHYSGLUSA-N 0 1 381.396 0.491 20 0 GCADMN Cc1nn[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc3c(cnn3C)c1)C2 ZINC000999752500 1198971500 /nfs/dbraw/zinc/97/15/00/1198971500.db2.gz YKNQYZYFJFHBBH-RDBSUJKOSA-N 0 1 380.412 0.570 20 0 GCADMN O=C(CCc1nc[nH]n1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(C(F)F)c1)C2 ZINC000999754537 1198972607 /nfs/dbraw/zinc/97/26/07/1198972607.db2.gz QKFKZCHKACQVDF-WOPDTQHZSA-N 0 1 379.371 0.891 20 0 GCADMN CN1CC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cnn(C(F)F)c2)C3)=NC1=O ZINC000999756683 1198972635 /nfs/dbraw/zinc/97/26/35/1198972635.db2.gz IHZWMXINGPGWKW-SCVCMEIPSA-N 0 1 380.355 0.893 20 0 GCADMN Cc1nccc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)n1 ZINC000999804738 1198973597 /nfs/dbraw/zinc/97/35/97/1198973597.db2.gz YDGCALIBPDSJPA-KNPMLCFXSA-N 0 1 381.440 0.885 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cccc(=O)[nH]1)[C@H]1CCCc2n[nH]nc21 ZINC000999810772 1198975388 /nfs/dbraw/zinc/97/53/88/1198975388.db2.gz ZKYVWHXJBJESRB-PKIAMQTDSA-N 0 1 382.424 0.887 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1[nH]nc2ccccc21)c1c[nH]c(=O)cn1 ZINC000999811783 1198975652 /nfs/dbraw/zinc/97/56/52/1198975652.db2.gz JMRHEPFYDYOJNQ-DGFSRKRXSA-N 0 1 378.392 0.822 20 0 GCADMN Cc1cc(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)n[nH]1 ZINC000671995255 1198978377 /nfs/dbraw/zinc/97/83/77/1198978377.db2.gz JVKDCCFGBLUGLK-UHFFFAOYSA-N 0 1 398.467 0.189 20 0 GCADMN O=C(CCc1nc[nH]n1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc3nonc3c1)C2 ZINC000999896325 1198982644 /nfs/dbraw/zinc/98/26/44/1198982644.db2.gz DLHJUBDLAUXPQQ-UGFHNGPFSA-N 0 1 381.396 0.835 20 0 GCADMN Cc1nc2ccnn2cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)Cc1ccn[nH]1 ZINC000999947482 1198988225 /nfs/dbraw/zinc/98/82/25/1198988225.db2.gz NPQBYVCSPOAWRA-KBMXLJTQSA-N 0 1 379.424 0.865 20 0 GCADMN CN1CCC[C@H]1C(=O)N1C[C@@H]2COC[C@H](C1)N2C(=O)Cn1cc(Cl)cn1 ZINC001272825406 1198989342 /nfs/dbraw/zinc/98/93/42/1198989342.db2.gz VCKNHYCNZRCKTC-ZNMIVQPWSA-N 0 1 381.864 0.069 20 0 GCADMN CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]ncc1F)C2)N1CCCC1=O ZINC001000108182 1198993151 /nfs/dbraw/zinc/99/31/51/1198993151.db2.gz GTFCEWXVFRAVGW-SAXRGWBVSA-N 0 1 377.420 0.812 20 0 GCADMN COCCN(C)CCNC(=O)C(=O)NCc1ccc(C)nc1N1CCCC1 ZINC000672004408 1198998303 /nfs/dbraw/zinc/99/83/03/1198998303.db2.gz HKNMLDFZPJFMDT-UHFFFAOYSA-N 0 1 377.489 0.301 20 0 GCADMN COc1ccc(S(=O)(=O)Nc2ncccn2)cc1[C@]1(C)NC(=O)NC1=O ZINC000542711227 1199012318 /nfs/dbraw/zinc/01/23/18/1199012318.db2.gz CJOMONBROHOGBX-HNNXBMFYSA-N 0 1 377.382 0.341 20 0 GCADMN CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCCC(N)=O)c2)cn1 ZINC000542728931 1199019443 /nfs/dbraw/zinc/01/94/43/1199019443.db2.gz MSQDFHBWDYTKDM-UHFFFAOYSA-N 0 1 392.437 0.886 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)C[C@H]1C ZINC000298754011 1199024462 /nfs/dbraw/zinc/02/44/62/1199024462.db2.gz PZBSMXOVQHZYFO-MRVWCRGKSA-N 0 1 389.456 0.656 20 0 GCADMN CC(=O)N[C@@H](CO)C(=O)N1CCC[C@@]2(CC[N@@H+](Cc3scnc3C)C2)C1 ZINC001272856664 1199031992 /nfs/dbraw/zinc/03/19/92/1199031992.db2.gz ZVEKWVIJYVSBTN-YJBOKZPZSA-N 0 1 380.514 0.763 20 0 GCADMN O=C(CSc1n[nH]c(=S)s1)N1CC2(C[C@H]2C(=O)NCC2COC2)C1 ZINC001272864230 1199036885 /nfs/dbraw/zinc/03/68/85/1199036885.db2.gz CVLMZAFJECDXOG-VIFPVBQESA-N 0 1 386.524 0.530 20 0 GCADMN Cn1nnnc1NC(=O)[C@]12C[C@H]1CCN2C(=O)CSc1n[nH]c(=S)s1 ZINC001272865603 1199038801 /nfs/dbraw/zinc/03/88/01/1199038801.db2.gz YLDLNVDOWAAMTB-INWYIAFRSA-N 0 1 398.499 0.072 20 0 GCADMN 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C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571266815 945554983 /nfs/dbraw/zinc/55/49/83/945554983.db2.gz ZPDZNROPEIBPSG-STQMWFEESA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCCC1 ZINC001571266808 945555288 /nfs/dbraw/zinc/55/52/88/945555288.db2.gz ZOAIEKRIHYYPEO-ZIAGYGMSSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCCC1 ZINC001571266808 945555295 /nfs/dbraw/zinc/55/52/95/945555295.db2.gz ZOAIEKRIHYYPEO-ZIAGYGMSSA-N 0 1 385.476 0.616 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCc3nc[nH]c(=O)c3C2)cc1-c1nn[nH]n1 ZINC001571267672 945574862 /nfs/dbraw/zinc/57/48/62/945574862.db2.gz BMPHFIMATCOYLA-UHFFFAOYSA-N 0 1 386.397 0.383 20 0 GCADMN Cc1nocc1CNC[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1 ZINC001571268151 945588153 /nfs/dbraw/zinc/58/81/53/945588153.db2.gz BIYBHGIEBDJYDV-AWEZNQCLSA-N 0 1 386.416 0.512 20 0 GCADMN Cc1nn(C)c(F)c1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571268310 945591438 /nfs/dbraw/zinc/59/14/38/945591438.db2.gz RDJVTBDQIFTART-SNVBAGLBSA-N 0 1 386.395 0.189 20 0 GCADMN Cc1nocc1CNC[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCO1 ZINC001571268523 945597223 /nfs/dbraw/zinc/59/72/23/945597223.db2.gz GLFPVJZVFULEKE-AWEZNQCLSA-N 0 1 386.416 0.512 20 0 GCADMN O=C(CCc1nc[nH]n1)N1CC[C@H](CNc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571268854 945605438 /nfs/dbraw/zinc/60/54/38/945605438.db2.gz XWQHOBLMPFYPIM-SNVBAGLBSA-N 0 1 386.395 0.412 20 0 GCADMN O=C(N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1=COCCO1 ZINC001571269238 945615772 /nfs/dbraw/zinc/61/57/72/945615772.db2.gz STYWNSRSIUUZRG-VXGBXAGGSA-N 0 1 386.416 0.054 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21)[C@H]1CCCOC1 ZINC001571269452 945620676 /nfs/dbraw/zinc/62/06/76/945620676.db2.gz YSAIFVXDEKARTH-MKVSYHDVSA-N 0 1 386.431 0.979 20 0 GCADMN Cc1cc(N2CCOC[C@H]2CNC(=O)c2ccsn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571269646 945623794 /nfs/dbraw/zinc/62/37/94/945623794.db2.gz BNTVSCSSMLBFKM-LLVKDONJSA-N 0 1 386.441 0.662 20 0 GCADMN O=C(c1cn[nH]c(=O)c1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571269985 945629392 /nfs/dbraw/zinc/62/93/92/945629392.db2.gz JMCLQEBWCJUCNF-SNVBAGLBSA-N 0 1 386.441 0.676 20 0 GCADMN O=C(c1cn[nH]c(=O)c1)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571269985 945629393 /nfs/dbraw/zinc/62/93/93/945629393.db2.gz JMCLQEBWCJUCNF-SNVBAGLBSA-N 0 1 386.441 0.676 20 0 GCADMN C[C@@H](NC(=O)c1csnn1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571270235 945633796 /nfs/dbraw/zinc/63/37/96/945633796.db2.gz NZUZXTGPIFRWJA-SECBINFHSA-N 0 1 386.445 0.543 20 0 GCADMN COc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001571270612 945638336 /nfs/dbraw/zinc/63/83/36/945638336.db2.gz WQUXTYSFTPNWSN-PHIMTYICSA-N 0 1 386.441 0.777 20 0 GCADMN COc1ncc(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001571270612 945638340 /nfs/dbraw/zinc/63/83/40/945638340.db2.gz WQUXTYSFTPNWSN-PHIMTYICSA-N 0 1 386.441 0.777 20 0 GCADMN C[C@H]1CN(C(=O)c2cnns2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571270666 945640886 /nfs/dbraw/zinc/64/08/86/945640886.db2.gz YFQRLSQFWXCHPQ-UWVGGRQHSA-N 0 1 386.445 0.140 20 0 GCADMN Cn1ccnc1CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571271721 945647868 /nfs/dbraw/zinc/64/78/68/945647868.db2.gz IADWPUCPKCVYMG-GFCCVEGCSA-N 0 1 386.485 0.985 20 0 GCADMN Cn1ccnc1CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571271722 945648224 /nfs/dbraw/zinc/64/82/24/945648224.db2.gz IADWPUCPKCVYMG-LBPRGKRZSA-N 0 1 386.485 0.985 20 0 GCADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCOCC1 ZINC001571272637 945667122 /nfs/dbraw/zinc/66/71/22/945667122.db2.gz GRMYRGBKEIUMBS-CQSZACIVSA-N 0 1 386.460 0.806 20 0 GCADMN CN1CCC[C@H]1C(=O)N1CCC[C@@](CO)(Nc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571272650 945667553 /nfs/dbraw/zinc/66/75/53/945667553.db2.gz GXHFHBRVEBLYQT-KBXCAEBGSA-N 0 1 386.460 0.121 20 0 GCADMN O=C(CC[C@H]1CCCO1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571272881 945672972 /nfs/dbraw/zinc/67/29/72/945672972.db2.gz JZCOYPVTQPNCDZ-UONOGXRCSA-N 0 1 386.460 0.831 20 0 GCADMN CNC(=O)CN1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571273021 945677000 /nfs/dbraw/zinc/67/70/00/945677000.db2.gz NFAZQTXIUOMVNQ-GJZGRUSLSA-N 0 1 386.460 0.400 20 0 GCADMN CN(C(=O)C[C@@H]1CC(C)(C)CO1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571273157 945679970 /nfs/dbraw/zinc/67/99/70/945679970.db2.gz QTCJZJYFXLDVOG-QWHCGFSZSA-N 0 1 386.460 0.899 20 0 GCADMN O=C(N[C@@H]1CCC[N@@H+](C[C@@H]2CCNC(=O)CC2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571273235 945681169 /nfs/dbraw/zinc/68/11/69/945681169.db2.gz TUMWWBRAJDTHIA-GXTWGEPZSA-N 0 1 386.460 0.305 20 0 GCADMN CN(C(=O)C[C@H]1CC(C)(C)CO1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571273158 945682183 /nfs/dbraw/zinc/68/21/83/945682183.db2.gz QTCJZJYFXLDVOG-STQMWFEESA-N 0 1 386.460 0.899 20 0 GCADMN CNC(=O)CN1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571273263 945683155 /nfs/dbraw/zinc/68/31/55/945683155.db2.gz UGSHCDGCMABTNN-BYCMXARLSA-N 0 1 386.460 0.160 20 0 GCADMN CN1CCCC[C@H]1C(=O)NC[C@H]1CN(c2ncccc2-c2nn[nH]n2)CCO1 ZINC001571273452 945687747 /nfs/dbraw/zinc/68/77/47/945687747.db2.gz XPIKNZWAXGBQHJ-ZFWWWQNUSA-N 0 1 386.460 0.067 20 0 GCADMN CN(C(=O)[C@H]1CCCCN1C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571273399 945688813 /nfs/dbraw/zinc/68/88/13/945688813.db2.gz WZVZQYIGGWIPGZ-DZGCQCFKSA-N 0 1 386.460 0.352 20 0 GCADMN C[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571273514 945689675 /nfs/dbraw/zinc/68/96/75/945689675.db2.gz YVXFXNYQOUXYDR-MCIONIFRSA-N 0 1 386.460 0.544 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CCO[C@@H](CNc2cccc(F)c2-c2nn[nH]n2)C1 ZINC001571274103 945693339 /nfs/dbraw/zinc/69/33/39/945693339.db2.gz AZWNUJKWTIZAFK-JTQLQIEISA-N 0 1 387.379 0.385 20 0 GCADMN CN(C(=O)C1=NC(=O)N(C)C1)C1CC(Nc2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001571275148 945705037 /nfs/dbraw/zinc/70/50/37/945705037.db2.gz QRYKCEGNTDYMCN-UHFFFAOYSA-N 0 1 387.379 0.555 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001571275731 945713548 /nfs/dbraw/zinc/71/35/48/945713548.db2.gz BNEPFNGUSSRVDJ-OCCSQVGLSA-N 0 1 386.460 0.544 20 0 GCADMN CC1(C)C[C@H]1C(=O)N1CCC(N(CCO)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571275851 945716480 /nfs/dbraw/zinc/71/64/80/945716480.db2.gz DFUGRXAJKSLFBZ-ZDUSSCGKSA-N 0 1 386.460 0.493 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CN2CCCC2)CCCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571275837 945716596 /nfs/dbraw/zinc/71/65/96/945716596.db2.gz DDHWUANOQHOSIE-JSGCOSHPSA-N 0 1 386.460 0.400 20 0 GCADMN COc1ccc(CN2CC[C@H](NC(=O)[C@@]3(C)CCOC3)C2)cc1-c1nn[nH]n1 ZINC001571276126 945725950 /nfs/dbraw/zinc/72/59/50/945725950.db2.gz HLXVSFFMPLAHLX-LIRRHRJNSA-N 0 1 386.456 0.992 20 0 GCADMN CCC1(C(=O)N2CCC[C@H](N(CCO)c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571277576 945743106 /nfs/dbraw/zinc/74/31/06/945743106.db2.gz LUICKIGRNZBSBQ-ZDUSSCGKSA-N 0 1 386.460 0.637 20 0 GCADMN C[C@]1(C(=O)N2CC[C@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCCOC1 ZINC001571277522 945743258 /nfs/dbraw/zinc/74/32/58/945743258.db2.gz LFDBXCXCNRRLMQ-UGSOOPFHSA-N 0 1 386.460 0.546 20 0 GCADMN CC1CCC(OCC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571277641 945744716 /nfs/dbraw/zinc/74/47/16/945744716.db2.gz MRPKHFSIISYBHT-MOKVOYLWSA-N 0 1 386.460 0.687 20 0 GCADMN NC(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001571277798 945746403 /nfs/dbraw/zinc/74/64/03/945746403.db2.gz SXDYQZIBNGTGLL-KGLIPLIRSA-N 0 1 387.419 0.208 20 0 GCADMN CN1C[C@@H](NC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000821620680 945749596 /nfs/dbraw/zinc/74/95/96/945749596.db2.gz RSNMKHHEHICMMD-INIZCTEOSA-N 0 1 398.471 0.315 20 0 GCADMN CCO[C@@H]1CN(C(=O)[C@H]2CC2(C)C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571278490 945752992 /nfs/dbraw/zinc/75/29/92/945752992.db2.gz OFEQOUGWZANJHL-JHJVBQTASA-N 0 1 386.460 0.400 20 0 GCADMN CC[C@@H]1OCC[C@H]1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001571278528 945755542 /nfs/dbraw/zinc/75/55/42/945755542.db2.gz PASUNOCWPMSDHW-AGIUHOORSA-N 0 1 386.460 0.543 20 0 GCADMN O=C(C[C@@H]1CCCCO1)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001571278608 945755629 /nfs/dbraw/zinc/75/56/29/945755629.db2.gz PJSOSWVOLVSYGS-USXIJHARSA-N 0 1 386.456 0.487 20 0 GCADMN COCc1ncsc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571278717 945759000 /nfs/dbraw/zinc/75/90/00/945759000.db2.gz ASQBJJWMCSJLTC-SECBINFHSA-N 0 1 387.429 0.008 20 0 GCADMN CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CCCCC1 ZINC001571278974 945766879 /nfs/dbraw/zinc/76/68/79/945766879.db2.gz TXNUFZYHDHCUJQ-QWHCGFSZSA-N 0 1 386.460 0.683 20 0 GCADMN C[C@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571279343 945775852 /nfs/dbraw/zinc/77/58/52/945775852.db2.gz VHZQVPGYXVCIHE-JSGCOSHPSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)N1CC[C@H](N(C)[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1=O ZINC001571279670 945784441 /nfs/dbraw/zinc/78/44/41/945784441.db2.gz XUQXYKGSOVSOAV-DOMZBBRYSA-N 0 1 386.460 0.350 20 0 GCADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)CO[C@@H]2CCOC2)CC1 ZINC001571279952 945793030 /nfs/dbraw/zinc/79/30/30/945793030.db2.gz ZZKGAZNPHOCFSO-CYBMUJFWSA-N 0 1 387.444 0.282 20 0 GCADMN O=C(N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C1CCC(O)CC1 ZINC001571279957 945793568 /nfs/dbraw/zinc/79/35/68/945793568.db2.gz YENHWOSHNNVHKU-TVGUXLQWSA-N 0 1 386.456 0.079 20 0 GCADMN CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001571280019 945795907 /nfs/dbraw/zinc/79/59/07/945795907.db2.gz ZQNUHYVKSBMZKB-BZPMIXESSA-N 0 1 386.460 0.543 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573447128 945798629 /nfs/dbraw/zinc/79/86/29/945798629.db2.gz WKKLCWQKRDJPAZ-MEDUHNTESA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001573447818 945804171 /nfs/dbraw/zinc/80/41/71/945804171.db2.gz DCFJEWWZRUDCGL-CYBMUJFWSA-N 0 1 381.400 0.456 20 0 GCADMN Cn1ncc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)c1N ZINC001571281705 945808713 /nfs/dbraw/zinc/80/87/13/945808713.db2.gz MFFYRWSRFCONIE-MGCOHNPYSA-N 0 1 387.473 0.542 20 0 GCADMN Cn1ncc(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)c1N ZINC001571281705 945808721 /nfs/dbraw/zinc/80/87/21/945808721.db2.gz MFFYRWSRFCONIE-MGCOHNPYSA-N 0 1 387.473 0.542 20 0 GCADMN CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001573452066 945842456 /nfs/dbraw/zinc/84/24/56/945842456.db2.gz AGGWNBDJECDIRN-GTNSWQLSSA-N 0 1 389.464 0.148 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)N[C@@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001573452064 945843031 /nfs/dbraw/zinc/84/30/31/945843031.db2.gz AGGWNBDJECDIRN-APPDUMDISA-N 0 1 389.464 0.148 20 0 GCADMN CC(=O)N[C@H](C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573452658 945854272 /nfs/dbraw/zinc/85/42/72/945854272.db2.gz GSPAIYORDNMJMD-INIZCTEOSA-N 0 1 386.460 0.249 20 0 GCADMN Cc1cc(-c2nn[n-]n2)c(=O)[nH]c1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC001571282712 945859017 /nfs/dbraw/zinc/85/90/17/945859017.db2.gz OHXBYGHGDSPCEA-MRVWCRGKSA-N 0 1 387.444 0.599 20 0 GCADMN CC(=O)N[C@](C)(C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573453620 945861863 /nfs/dbraw/zinc/86/18/63/945861863.db2.gz NBDBKGNIRGGVRF-XIKOKIGWSA-N 0 1 388.476 0.399 20 0 GCADMN CC(=O)N[C@](C)(C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)C(C)C ZINC001573453820 945870314 /nfs/dbraw/zinc/87/03/14/945870314.db2.gz QWZUVQFVBWQMFD-UGSOOPFHSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573455831 945884002 /nfs/dbraw/zinc/88/40/02/945884002.db2.gz GYCHUHZHDDILCC-UHFFFAOYSA-N 0 1 386.460 0.604 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573455850 945887449 /nfs/dbraw/zinc/88/74/49/945887449.db2.gz HIYQMWOZRPKNRX-UHFFFAOYSA-N 0 1 391.451 0.811 20 0 GCADMN CC[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nnn[n-]1)[NH+](C)C ZINC001571283680 945887646 /nfs/dbraw/zinc/88/76/46/945887646.db2.gz HCFPYIBFMDYWNM-KBPBESRZSA-N 0 1 387.492 0.814 20 0 GCADMN CC[C@@H](C(=O)N1CCCC[C@H]1CN(C)c1nccnc1-c1nn[n-]n1)[NH+](C)C ZINC001571283680 945887656 /nfs/dbraw/zinc/88/76/56/945887656.db2.gz HCFPYIBFMDYWNM-KBPBESRZSA-N 0 1 387.492 0.814 20 0 GCADMN CN(c1ncc(-c2nn[nH]n2)cc1Cl)[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C1 ZINC001571283721 945889323 /nfs/dbraw/zinc/88/93/23/945889323.db2.gz IHQPNXAZJAXUMR-GFCCVEGCSA-N 0 1 387.835 0.918 20 0 GCADMN CC(C)[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)[NH+](C)C ZINC001571283900 945893386 /nfs/dbraw/zinc/89/33/86/945893386.db2.gz KOGOSDYPHAWKCB-KSSFIOAISA-N 0 1 387.492 0.315 20 0 GCADMN CC(C)[C@H](C(=O)N1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C1)[NH+](C)C ZINC001571284139 945895609 /nfs/dbraw/zinc/89/56/09/945895609.db2.gz LYFUKSOSKSMNRK-GXTWGEPZSA-N 0 1 387.492 0.314 20 0 GCADMN CCc1nc(N[C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc(-c2nn[n-]n2)n1 ZINC001571284189 945896388 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GCADMN CC(=O)NC(C)(C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001573462206 945934305 /nfs/dbraw/zinc/93/43/05/945934305.db2.gz CHNJIBMBCJHDEW-UHFFFAOYSA-N 0 1 386.460 0.439 20 0 GCADMN CN(C(=O)C1=COCCO1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571286112 945937199 /nfs/dbraw/zinc/93/71/99/945937199.db2.gz YDCCPPXKVVDVPW-ZDUSSCGKSA-N 0 1 388.403 0.927 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573462750 945944644 /nfs/dbraw/zinc/94/46/44/945944644.db2.gz MTFVXQLAQFYLKT-OAHLLOKOSA-N 0 1 388.476 0.459 20 0 GCADMN COc1ncc(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1-c1nn[nH]n1 ZINC001571286421 945947782 /nfs/dbraw/zinc/94/77/82/945947782.db2.gz HJMJGOWECZNARU-KBPBESRZSA-N 0 1 388.432 0.333 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@@H](C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001573463175 945951630 /nfs/dbraw/zinc/95/16/30/945951630.db2.gz SFGJDPPXKMCRKE-SNVBAGLBSA-N 0 1 377.424 0.515 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001573463665 945958229 /nfs/dbraw/zinc/95/82/29/945958229.db2.gz ZFOPXCTWZKLCIJ-UHFFFAOYSA-N 0 1 391.501 0.971 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001573463665 945958234 /nfs/dbraw/zinc/95/82/34/945958234.db2.gz ZFOPXCTWZKLCIJ-UHFFFAOYSA-N 0 1 391.501 0.971 20 0 GCADMN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3c[nH]nc3-c3nn[nH]n3)ccc21 ZINC001571286870 945960574 /nfs/dbraw/zinc/96/05/74/945960574.db2.gz UGXCNNLUMXIIQA-UHFFFAOYSA-N 0 1 388.413 0.554 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)CCN(C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573467645 945984713 /nfs/dbraw/zinc/98/47/13/945984713.db2.gz GXSDOVBMUSDXHQ-LLVKDONJSA-N 0 1 377.424 0.421 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573468531 945996039 /nfs/dbraw/zinc/99/60/39/945996039.db2.gz ONOZIYIFEQGCRK-NKWVEPMBSA-N 0 1 386.869 0.760 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573468570 945997967 /nfs/dbraw/zinc/99/79/67/945997967.db2.gz PLVUKOGWPUOKTE-GFCCVEGCSA-N 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Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1-c1nn[n-]n1 ZINC001571290307 946037682 /nfs/dbraw/zinc/03/76/82/946037682.db2.gz AAHVFPXXNGEDDL-UUIJZJDISA-N 0 1 388.501 0.524 20 0 GCADMN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@@H]2CC[N@H+](C)C2)c1-c1nn[n-]n1 ZINC001571290307 946037698 /nfs/dbraw/zinc/03/76/98/946037698.db2.gz AAHVFPXXNGEDDL-UUIJZJDISA-N 0 1 388.501 0.524 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573472183 946061590 /nfs/dbraw/zinc/06/15/90/946061590.db2.gz UJBYMRGNHXFHGP-TZMCWYRMSA-N 0 1 386.460 0.522 20 0 GCADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)Cn2cc(Cl)cn2)C1 ZINC001571291049 946066265 /nfs/dbraw/zinc/06/62/65/946066265.db2.gz ZJGCNRWYUSRQKV-NSHDSACASA-N 0 1 388.823 0.244 20 0 GCADMN Cc1[nH]nc(Cl)c1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571291041 946066503 /nfs/dbraw/zinc/06/65/03/946066503.db2.gz ZBJRSRQKXLRVQA-KYZUINATSA-N 0 1 388.823 0.384 20 0 GCADMN 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CC(=O)N(C)CC(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573402825 948006946 /nfs/dbraw/zinc/00/69/46/948006946.db2.gz JCEOPRQBXJCRDO-UHFFFAOYSA-N 0 1 389.435 0.565 20 0 GCADMN Cc1onc(CC(=O)N[C@@H](C)C2(N3CCOCC3)CCCC2)c1-c1nn[nH]n1 ZINC000826345883 948030823 /nfs/dbraw/zinc/03/08/23/948030823.db2.gz XATRTNVMPSQDQN-ZDUSSCGKSA-N 0 1 389.460 0.855 20 0 GCADMN C[C@H](C(=O)NC1CC1)N1CCC(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573663300 948035393 /nfs/dbraw/zinc/03/53/93/948035393.db2.gz KXLUABVDWYAPSK-LLVKDONJSA-N 0 1 386.460 0.304 20 0 GCADMN C[C@@H](C(=O)NC1(Cc2ccccc2)CCOCC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573663516 948037565 /nfs/dbraw/zinc/03/75/65/948037565.db2.gz NJOUKHNILSNDOV-ZDUSSCGKSA-N 0 1 382.428 0.927 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573405329 948041560 /nfs/dbraw/zinc/04/15/60/948041560.db2.gz PGZPGVMMTNCNBP-AWEZNQCLSA-N 0 1 389.435 0.422 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573405329 948041568 /nfs/dbraw/zinc/04/15/68/948041568.db2.gz PGZPGVMMTNCNBP-AWEZNQCLSA-N 0 1 389.435 0.422 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C ZINC001573406349 948050714 /nfs/dbraw/zinc/05/07/14/948050714.db2.gz ASPUPTBVGKUQOW-BZNIZROVSA-N 0 1 389.435 0.563 20 0 GCADMN Cc1onc(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1-c1nnn[n-]1 ZINC000826347448 948052454 /nfs/dbraw/zinc/05/24/54/948052454.db2.gz RKRGPSWXZIWIMT-UHFFFAOYSA-N 0 1 375.433 0.467 20 0 GCADMN Cc1onc(CC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1-c1nn[n-]n1 ZINC000826347448 948052461 /nfs/dbraw/zinc/05/24/61/948052461.db2.gz RKRGPSWXZIWIMT-UHFFFAOYSA-N 0 1 375.433 0.467 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cncn1 ZINC001573664526 948054515 /nfs/dbraw/zinc/05/45/15/948054515.db2.gz FJXFUMINJPBFDO-XJKSGUPXSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@@H](C(=O)NC1CC1)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573664707 948059762 /nfs/dbraw/zinc/05/97/62/948059762.db2.gz XEOJUTFUHAJPKW-SMDDNHRTSA-N 0 1 386.460 0.398 20 0 GCADMN CC(=O)N(C)CC(=O)NCC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001573406903 948060391 /nfs/dbraw/zinc/06/03/91/948060391.db2.gz WAMIOGULRIMUJP-TZMCWYRMSA-N 0 1 386.460 0.319 20 0 GCADMN C[C@@H](C(=O)NC1CC1)N(C)[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573664875 948061649 /nfs/dbraw/zinc/06/16/49/948061649.db2.gz YSOPCFAIGPVVNP-SMDDNHRTSA-N 0 1 386.460 0.398 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001573413241 948079105 /nfs/dbraw/zinc/07/91/05/948079105.db2.gz AHLUQGWLVWZYQJ-UHFFFAOYSA-N 0 1 389.485 0.487 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CC2)C1 ZINC001573413241 948079114 /nfs/dbraw/zinc/07/91/14/948079114.db2.gz AHLUQGWLVWZYQJ-UHFFFAOYSA-N 0 1 389.485 0.487 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573667139 948094293 /nfs/dbraw/zinc/09/42/93/948094293.db2.gz YEJVVBDPYDSLGB-TZMCWYRMSA-N 0 1 379.428 0.940 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)C[C@H]2CCN2Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573414702 948097319 /nfs/dbraw/zinc/09/73/19/948097319.db2.gz NZUHWOSGMMEEDO-QGZVFWFLSA-N 0 1 383.456 0.378 20 0 GCADMN C[C@@H](C(=O)NC1CCN(c2ccncc2-c2nn[nH]n2)CC1)[C@@H]1CCC(=O)N1 ZINC001573672675 948110056 /nfs/dbraw/zinc/11/00/56/948110056.db2.gz ILWMWLIAPCWVEO-RISCZKNCSA-N 0 1 384.444 0.261 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)[C@H](C)CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573415571 948112532 /nfs/dbraw/zinc/11/25/32/948112532.db2.gz YETQPYBCBIQMSI-LLVKDONJSA-N 0 1 389.435 0.421 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573418629 948119301 /nfs/dbraw/zinc/11/93/01/948119301.db2.gz HPGXWWTUUNGSSB-VHSXEESVSA-N 0 1 377.474 0.389 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573418629 948119311 /nfs/dbraw/zinc/11/93/11/948119311.db2.gz HPGXWWTUUNGSSB-VHSXEESVSA-N 0 1 377.474 0.389 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)C1 ZINC001573419789 948128254 /nfs/dbraw/zinc/12/82/54/948128254.db2.gz SGUFGWMDEORHGC-CQSZACIVSA-N 0 1 389.485 0.391 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)C1 ZINC001573419789 948128257 /nfs/dbraw/zinc/12/82/57/948128257.db2.gz SGUFGWMDEORHGC-CQSZACIVSA-N 0 1 389.485 0.391 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C(C)C)C1 ZINC001573421549 948139667 /nfs/dbraw/zinc/13/96/67/948139667.db2.gz GVACERFBHLHXOG-CQSZACIVSA-N 0 1 391.501 0.637 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C(C)C)C1 ZINC001573421549 948139670 /nfs/dbraw/zinc/13/96/70/948139670.db2.gz GVACERFBHLHXOG-CQSZACIVSA-N 0 1 391.501 0.637 20 0 GCADMN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)C1 ZINC001573423068 948143973 /nfs/dbraw/zinc/14/39/73/948143973.db2.gz MTVCZOBFSQEYOB-UHFFFAOYSA-N 0 1 375.458 0.145 20 0 GCADMN CC(=O)N1CC(C(=O)NCC2(NCc3cc(-c4nn[nH]n4)ccc3F)CC2)C1 ZINC001573423934 948145110 /nfs/dbraw/zinc/14/51/10/948145110.db2.gz RMKYUTKFAVSXBK-UHFFFAOYSA-N 0 1 387.419 0.223 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(F)(F)F ZINC001573678282 948146904 /nfs/dbraw/zinc/14/69/04/948146904.db2.gz CJROINOLFIVPFK-WPRPVWTQSA-N 0 1 390.341 0.771 20 0 GCADMN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CCC2)C1 ZINC001573424007 948147853 /nfs/dbraw/zinc/14/78/53/948147853.db2.gz SQKYEWJPVQHPTB-UHFFFAOYSA-N 0 1 389.485 0.535 20 0 GCADMN CC(=O)N1CC(C(=O)NCC2([NH2+]Cc3ccc(-c4nn[n-]n4)s3)CCC2)C1 ZINC001573424007 948147860 /nfs/dbraw/zinc/14/78/60/948147860.db2.gz SQKYEWJPVQHPTB-UHFFFAOYSA-N 0 1 389.485 0.535 20 0 GCADMN CC(=O)N1CC(C(=O)NCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)C)C1 ZINC001573424295 948149497 /nfs/dbraw/zinc/14/94/97/948149497.db2.gz XUSGAXMHUVSLJL-OAHLLOKOSA-N 0 1 386.460 0.105 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573679223 948160166 /nfs/dbraw/zinc/16/01/66/948160166.db2.gz JZGZIKNNAHBYGO-KBPBESRZSA-N 0 1 387.492 0.862 20 0 GCADMN CC(=O)N1CCC(C(=O)N(C)CCN(C)c2ccncc2-c2nn[nH]n2)CC1 ZINC001573428942 948168611 /nfs/dbraw/zinc/16/86/11/948168611.db2.gz DUZLKLZDXQMBAM-UHFFFAOYSA-N 0 1 386.460 0.415 20 0 GCADMN CC(C)[C@H](CNC(=O)[C@H](C)c1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573679982 948169182 /nfs/dbraw/zinc/16/91/82/948169182.db2.gz KQAQWSGCUMUDQH-OCCSQVGLSA-N 0 1 381.444 0.830 20 0 GCADMN C[C@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)C(C)(F)F ZINC001573681064 948193590 /nfs/dbraw/zinc/19/35/90/948193590.db2.gz SCQGULCTISSXKX-MWLCHTKSSA-N 0 1 386.378 0.864 20 0 GCADMN C[C@H](C(=O)NCC(=O)c1ccc(F)cc1Cl)n1cnc(-c2nn[nH]n2)n1 ZINC001573681358 948200816 /nfs/dbraw/zinc/20/08/16/948200816.db2.gz WKVUJBBFSUMOMO-SSDOTTSWSA-N 0 1 378.755 0.811 20 0 GCADMN C[C@H](C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)c1ccccc1F ZINC001573681789 948215676 /nfs/dbraw/zinc/21/56/76/948215676.db2.gz XYVWAJFHRXRYQM-NWDGAFQWSA-N 0 1 385.403 0.515 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573435527 948230844 /nfs/dbraw/zinc/23/08/44/948230844.db2.gz YCAMAWIIHMXTBA-KZULUSFZSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N(C)C[C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573435540 948232204 /nfs/dbraw/zinc/23/22/04/948232204.db2.gz YLPBXIRXMSFCGM-KPZWWZAWSA-N 0 1 386.460 0.201 20 0 GCADMN O=C(CCc1nc[nH]n1)O[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826409795 948245718 /nfs/dbraw/zinc/24/57/18/948245718.db2.gz PMPRSDKPIAZECI-CYBMUJFWSA-N 0 1 382.384 0.656 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@@H]1CCC(=O)N1 ZINC001573693408 948283644 /nfs/dbraw/zinc/28/36/44/948283644.db2.gz XMWJCYGUPNFETC-YPMHNXCESA-N 0 1 384.444 0.049 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573442603 948295990 /nfs/dbraw/zinc/29/59/90/948295990.db2.gz IYBHFRSSZOIYLF-WCQYABFASA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573442603 948295998 /nfs/dbraw/zinc/29/59/98/948295998.db2.gz IYBHFRSSZOIYLF-WCQYABFASA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573696391 948324028 /nfs/dbraw/zinc/32/40/28/948324028.db2.gz PKULLXXPIUGOPX-LKSINWNRSA-N 0 1 379.428 0.584 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573446540 948331734 /nfs/dbraw/zinc/33/17/34/948331734.db2.gz IGDJYFSAPHQMDO-MLGOLLRUSA-N 0 1 386.460 0.262 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573446731 948334994 /nfs/dbraw/zinc/33/49/94/948334994.db2.gz OOUYUWALIGCXNG-SMDDNHRTSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573446731 948335000 /nfs/dbraw/zinc/33/50/00/948335000.db2.gz OOUYUWALIGCXNG-SMDDNHRTSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573447093 948341113 /nfs/dbraw/zinc/34/11/13/948341113.db2.gz VBWUSSDXRQKETE-IUODEOHRSA-N 0 1 386.460 0.522 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573703120 948351612 /nfs/dbraw/zinc/35/16/12/948351612.db2.gz IESJSYJITOCMHB-AAEUAGOBSA-N 0 1 382.432 0.279 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[nH]n2)n1 ZINC001573705427 948400166 /nfs/dbraw/zinc/40/01/66/948400166.db2.gz WQDYWVXOYPZLLW-VXGBXAGGSA-N 0 1 376.421 0.111 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[nH]n2)n1 ZINC001573705424 948400564 /nfs/dbraw/zinc/40/05/64/948400564.db2.gz WQDYWVXOYPZLLW-RYUDHWBXSA-N 0 1 376.421 0.111 20 0 GCADMN C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001573708271 948447014 /nfs/dbraw/zinc/44/70/14/948447014.db2.gz SNYZEIPKUSNSOG-QWHCGFSZSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573708670 948455632 /nfs/dbraw/zinc/45/56/32/948455632.db2.gz XAKXDNKLODNUCZ-SNVBAGLBSA-N 0 1 393.452 0.829 20 0 GCADMN C[C@H](C(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001573714673 948475026 /nfs/dbraw/zinc/47/50/26/948475026.db2.gz INMXOIGUVNWBNH-GFCCVEGCSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573714897 948478672 /nfs/dbraw/zinc/47/86/72/948478672.db2.gz KNZVYXUTYNIQMN-OLZOCXBDSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nnn[n-]2)s1)[C@H]1CCC(=O)N1 ZINC001573715506 948490881 /nfs/dbraw/zinc/49/08/81/948490881.db2.gz XNVOTJUWGGFFCS-CMPLNLGQSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](C(=O)NCCC[NH2+]Cc1ccc(-c2nn[n-]n2)s1)[C@H]1CCC(=O)N1 ZINC001573715506 948490883 /nfs/dbraw/zinc/49/08/83/948490883.db2.gz XNVOTJUWGGFFCS-CMPLNLGQSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](C(=O)NCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cnn(C)c1 ZINC001573718148 948515684 /nfs/dbraw/zinc/51/56/84/948515684.db2.gz HZJZNNMAJRSBDM-NSHDSACASA-N 0 1 382.432 0.279 20 0 GCADMN C[C@@H](C(=O)NCc1nc(Cc2ccccc2F)no1)n1cnc(-c2nn[nH]n2)n1 ZINC001573731717 948595228 /nfs/dbraw/zinc/59/52/28/948595228.db2.gz XYOXOHHXEQMYAN-VIFPVBQESA-N 0 1 398.362 0.449 20 0 GCADMN C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573739805 948624498 /nfs/dbraw/zinc/62/44/98/948624498.db2.gz HTPAYPKAZMGPPB-LPWJVIDDSA-N 0 1 380.416 0.340 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)C(C)(F)F ZINC001573741112 948650479 /nfs/dbraw/zinc/65/04/79/948650479.db2.gz SMMGBTGJYVRFCA-ZLKJLUDKSA-N 0 1 380.399 0.819 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C)c1cnn(C)c1 ZINC001573745684 948674593 /nfs/dbraw/zinc/67/45/93/948674593.db2.gz GSSHEITWHGEPAC-LOWVWBTDSA-N 0 1 382.432 0.277 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCCC1 ZINC001573746543 948683562 /nfs/dbraw/zinc/68/35/62/948683562.db2.gz OACIBLBPRQPGDU-KBPBESRZSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573746787 948684776 /nfs/dbraw/zinc/68/47/76/948684776.db2.gz LCLOYYKJZAKLHB-YRGRVCCFSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573746862 948686512 /nfs/dbraw/zinc/68/65/12/948686512.db2.gz MALUFDISEZEXFQ-YRGRVCCFSA-N 0 1 379.428 0.584 20 0 GCADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573747482 948692867 /nfs/dbraw/zinc/69/28/67/948692867.db2.gz VHCNNWJVHOMSJP-XUXIUFHCSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573747480 948693086 /nfs/dbraw/zinc/69/30/86/948693086.db2.gz VHCNNWJVHOMSJP-SYQHCUMBSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCCC1 ZINC001573752296 948712830 /nfs/dbraw/zinc/71/28/30/948712830.db2.gz MODAIBGBZFKECM-MGPQQGTHSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573752296 948712837 /nfs/dbraw/zinc/71/28/37/948712837.db2.gz MODAIBGBZFKECM-MGPQQGTHSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573752500 948713993 /nfs/dbraw/zinc/71/39/93/948713993.db2.gz NOPXEVUXTOFQMS-MQYQWHSLSA-N 0 1 379.428 0.945 20 0 GCADMN CC(C)c1ccc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)cn1 ZINC001574416613 948751557 /nfs/dbraw/zinc/75/15/57/948751557.db2.gz ZPUCQJVJOZPCIR-CYBMUJFWSA-N 0 1 382.428 0.405 20 0 GCADMN C[C@@H](CNC(=O)CCc1c[nH]nn1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574914485 948751871 /nfs/dbraw/zinc/75/18/71/948751871.db2.gz KPGINSHHMDGMDC-NSHDSACASA-N 0 1 387.423 0.693 20 0 GCADMN C[C@H](CNC(=O)CCc1c[nH]nn1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574915449 948769053 /nfs/dbraw/zinc/76/90/53/948769053.db2.gz UEWKGMILTXQBSX-SECBINFHSA-N 0 1 390.839 0.830 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn[nH]1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574915449 948769065 /nfs/dbraw/zinc/76/90/65/948769065.db2.gz UEWKGMILTXQBSX-SECBINFHSA-N 0 1 390.839 0.830 20 0 GCADMN C[C@@H](C(N)=O)N1CCC2(C[C@@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573755521 948770366 /nfs/dbraw/zinc/77/03/66/948770366.db2.gz RFJWVKHBBVJQKH-NEPJUHHUSA-N 0 1 386.460 0.385 20 0 GCADMN C[C@@H](CNC(=O)CCc1c[nH]nn1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574915830 948770874 /nfs/dbraw/zinc/77/08/74/948770874.db2.gz XQWAAQTVDIZUAV-LURJTMIESA-N 0 1 382.841 0.644 20 0 GCADMN C[C@@H](CNC(=O)CCc1ccc(=O)[nH]c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574915858 948771393 /nfs/dbraw/zinc/77/13/93/948771393.db2.gz YFUPIOHAJPNTME-NSHDSACASA-N 0 1 383.416 0.331 20 0 GCADMN CC(C)c1cccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574418477 948776728 /nfs/dbraw/zinc/77/67/28/948776728.db2.gz WUBKMBYJYMBKBS-LBPRGKRZSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@H](C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755828 948787354 /nfs/dbraw/zinc/78/73/54/948787354.db2.gz JCVJBTJFEHRAQI-MFKMUULPSA-N 0 1 381.400 0.999 20 0 GCADMN C[C@@H](CNC(=O)CCc1cn(C)nn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916834 948794936 /nfs/dbraw/zinc/79/49/36/948794936.db2.gz KTYRASTVPSPYGL-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](CNC(=O)CCc1cn(C)nn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574916834 948794947 /nfs/dbraw/zinc/79/49/47/948794947.db2.gz KTYRASTVPSPYGL-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN CC(C)c1cccc(CN[C@@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574420559 948802598 /nfs/dbraw/zinc/80/25/98/948802598.db2.gz YSCMQLMNKXUIMQ-CYBMUJFWSA-N 0 1 384.444 0.594 20 0 GCADMN CC(C)c1ccccc1OCC(=O)NCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001574420806 948804316 /nfs/dbraw/zinc/80/43/16/948804316.db2.gz ALMOKCNGZDXRQG-UHFFFAOYSA-N 0 1 382.428 0.809 20 0 GCADMN C[C@H](C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cnn(C)c1 ZINC001573756233 948806630 /nfs/dbraw/zinc/80/66/30/948806630.db2.gz OQCXXSNZUOONOZ-YZOIGVHSSA-N 0 1 379.428 0.350 20 0 GCADMN CC(C)c1nc([C@H](CO)NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cs1 ZINC001574425485 948874493 /nfs/dbraw/zinc/87/44/93/948874493.db2.gz GBEMPWZJETZHSY-BDAKNGLRSA-N 0 1 377.434 0.449 20 0 GCADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)Cc1nnc[nH]1 ZINC001574684663 948879559 /nfs/dbraw/zinc/87/95/59/948879559.db2.gz KGWOGLRWCSTWDC-QMMMGPOBSA-N 0 1 376.812 0.583 20 0 GCADMN CC(C)c1nc(CN2CC([C@H](C)NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001574426015 948884013 /nfs/dbraw/zinc/88/40/13/948884013.db2.gz PNQSXKVGSMCJRT-JTQLQIEISA-N 0 1 384.448 0.687 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001573764636 948889838 /nfs/dbraw/zinc/88/98/38/948889838.db2.gz PGPDNSQILJKRCU-ZDUSSCGKSA-N 0 1 385.476 0.356 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)CC(N)=O ZINC001574684870 948890488 /nfs/dbraw/zinc/89/04/88/948890488.db2.gz OBGJQOVTUAMCHB-RNFRBKRXSA-N 0 1 386.869 0.795 20 0 GCADMN CC(C)c1nc(CN2C[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@H](C)C2)n[nH]1 ZINC001574426544 948894141 /nfs/dbraw/zinc/89/41/41/948894141.db2.gz SEBOTXAEFLVCKY-VXGBXAGGSA-N 0 1 398.475 0.934 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684915 948897155 /nfs/dbraw/zinc/89/71/55/948897155.db2.gz PDVWPFYEADJDSU-XVMARJQXSA-N 0 1 384.853 0.405 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573765052 948897891 /nfs/dbraw/zinc/89/78/91/948897891.db2.gz VBSJDVWQTOKZRY-CYBMUJFWSA-N 0 1 385.476 0.356 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001573765226 948901021 /nfs/dbraw/zinc/90/10/21/948901021.db2.gz WZDGOAGPSOQUJZ-ZDUSSCGKSA-N 0 1 385.476 0.356 20 0 GCADMN CC(F)(F)CCC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234448 948903088 /nfs/dbraw/zinc/90/30/88/948903088.db2.gz CVOODJBOEHCWKX-JTQLQIEISA-N 0 1 382.375 0.153 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573765342 948904584 /nfs/dbraw/zinc/90/45/84/948904584.db2.gz ZAQNOUIMONUZOB-OLZOCXBDSA-N 0 1 386.460 0.687 20 0 GCADMN CC(C)c1ncc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)s1 ZINC001574427361 948904921 /nfs/dbraw/zinc/90/49/21/948904921.db2.gz CYDQWGXLPOYRIM-JTQLQIEISA-N 0 1 388.457 0.466 20 0 GCADMN C[C@@H](CNC(=O)CCc1nccn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920619 948905663 /nfs/dbraw/zinc/90/56/63/948905663.db2.gz NBQBRTSXHUOBER-LBPRGKRZSA-N 0 1 386.435 0.966 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCC1 ZINC001573765747 948923558 /nfs/dbraw/zinc/92/35/58/948923558.db2.gz CPMMBNNFDLWUSH-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCC1 ZINC001573765747 948923571 /nfs/dbraw/zinc/92/35/71/948923571.db2.gz CPMMBNNFDLWUSH-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573771032 948933380 /nfs/dbraw/zinc/93/33/80/948933380.db2.gz ABZPAJFEKPIMSI-UHFFFAOYSA-N 0 1 382.432 0.086 20 0 GCADMN CC(C)(C(=O)N[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573771686 948945429 /nfs/dbraw/zinc/94/54/29/948945429.db2.gz KXJCXJWNQWRFQH-ZDUSSCGKSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574433119 948945527 /nfs/dbraw/zinc/94/55/27/948945527.db2.gz HSBYBHRJNTUNTB-UHFFFAOYSA-N 0 1 382.432 0.310 20 0 GCADMN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574923384 948946743 /nfs/dbraw/zinc/94/67/43/948946743.db2.gz LAJVSYPWGGECRE-SNVBAGLBSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574923384 948946754 /nfs/dbraw/zinc/94/67/54/948946754.db2.gz LAJVSYPWGGECRE-SNVBAGLBSA-N 0 1 377.474 0.391 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573772055 948948733 /nfs/dbraw/zinc/94/87/33/948948733.db2.gz PNFVPTFBWUSPPQ-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NC1CC(CNc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCC1 ZINC001573772287 948954750 /nfs/dbraw/zinc/95/47/50/948954750.db2.gz SPNUFJHBCUJCCS-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC1CC(CNc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573772287 948954758 /nfs/dbraw/zinc/95/47/58/948954758.db2.gz SPNUFJHBCUJCCS-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)[C@@H]1C[C@@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089487 948955295 /nfs/dbraw/zinc/95/52/95/948955295.db2.gz HUEISKDCXLZJEM-KBPBESRZSA-N 0 1 385.476 0.187 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433610 948959651 /nfs/dbraw/zinc/95/96/51/948959651.db2.gz YXYZNRKLLKTSKT-LLVKDONJSA-N 0 1 380.416 0.579 20 0 GCADMN CC(C)(C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573772435 948961560 /nfs/dbraw/zinc/96/15/60/948961560.db2.gz BXZVWXSKMZHKTM-GFCCVEGCSA-N 0 1 391.451 0.769 20 0 GCADMN CC(F)(F)CCC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575239418 948962282 /nfs/dbraw/zinc/96/22/82/948962282.db2.gz RPNZLVURGGDSGD-SNVBAGLBSA-N 0 1 382.375 0.414 20 0 GCADMN CC(C)c1ncsc1C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001574433858 948966304 /nfs/dbraw/zinc/96/63/04/948966304.db2.gz SZSQSZYLGVMFNH-JTQLQIEISA-N 0 1 388.457 0.466 20 0 GCADMN CC(C)(C(=O)NC1CCN(c2nccnc2-c2nnn[n-]2)CC1)[NH+]1CCCC1 ZINC001573772768 948966322 /nfs/dbraw/zinc/96/63/22/948966322.db2.gz DUFKRSPMRBQKGZ-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NC1CCN(c2nccnc2-c2nn[n-]n2)CC1)[NH+]1CCCC1 ZINC001573772768 948966338 /nfs/dbraw/zinc/96/63/38/948966338.db2.gz DUFKRSPMRBQKGZ-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](CNC(=O)CCn1ccnn1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574924314 948970044 /nfs/dbraw/zinc/97/00/44/948970044.db2.gz ZJNQJFVEFBKVRP-LLVKDONJSA-N 0 1 375.462 0.547 20 0 GCADMN C[C@H](CNC(=O)CCn1ccnn1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574924314 948970061 /nfs/dbraw/zinc/97/00/61/948970061.db2.gz ZJNQJFVEFBKVRP-LLVKDONJSA-N 0 1 375.462 0.547 20 0 GCADMN CC(C)c1ncsc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433933 948970532 /nfs/dbraw/zinc/97/05/32/948970532.db2.gz WQHUVFFMFJEALO-SNVBAGLBSA-N 0 1 385.457 0.985 20 0 GCADMN CC(C)c1nc(CNS(=O)(=O)Cc2ccc(F)cc2-c2nn[nH]n2)n[nH]1 ZINC001574434661 948984786 /nfs/dbraw/zinc/98/47/86/948984786.db2.gz MAHNNBHIJJZTMT-UHFFFAOYSA-N 0 1 380.409 0.867 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574926190 948991659 /nfs/dbraw/zinc/99/16/59/948991659.db2.gz KIJKGFSYTGEBJY-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1ccc(-c2nn[n-]n2)nn1 ZINC001574926190 948991665 /nfs/dbraw/zinc/99/16/65/948991665.db2.gz KIJKGFSYTGEBJY-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)C1CC1)[NH+]1CCCC1 ZINC001573773731 948992796 /nfs/dbraw/zinc/99/27/96/948992796.db2.gz GABLWTLQKLNLEG-CYBMUJFWSA-N 0 1 385.476 0.260 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573774264 949004520 /nfs/dbraw/zinc/00/45/20/949004520.db2.gz LBGPXNLLJGFSPH-AWEZNQCLSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C1CCOCC1 ZINC001573774650 949017029 /nfs/dbraw/zinc/01/70/29/949017029.db2.gz PWCVZYNIAXNEOZ-ZDUSSCGKSA-N 0 1 389.460 0.025 20 0 GCADMN C[C@@](CNC(=O)CN1CCCC1)(NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001574926751 949021446 /nfs/dbraw/zinc/02/14/46/949021446.db2.gz WRROHWWNBZVVKS-SFHVURJKSA-N 0 1 386.460 0.305 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCCC1 ZINC001573774794 949021590 /nfs/dbraw/zinc/02/15/90/949021590.db2.gz WGKDBDVQDAXGNH-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCCC1 ZINC001573774794 949021609 /nfs/dbraw/zinc/02/16/09/949021609.db2.gz WGKDBDVQDAXGNH-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574926813 949023294 /nfs/dbraw/zinc/02/32/94/949023294.db2.gz XXOUIJFPYRIAFI-ZDUSSCGKSA-N 0 1 381.444 0.379 20 0 GCADMN CC(C)c1noc(CNC[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574440084 949023581 /nfs/dbraw/zinc/02/35/81/949023581.db2.gz MXWBDJPDCMVLDN-LLVKDONJSA-N 0 1 385.432 0.953 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575502290 949023907 /nfs/dbraw/zinc/02/39/07/949023907.db2.gz JXQGPDNLYJCMLX-RYUDHWBXSA-N 0 1 381.400 0.214 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575502287 949024038 /nfs/dbraw/zinc/02/40/38/949024038.db2.gz JXQGPDNLYJCMLX-NEPJUHHUSA-N 0 1 381.400 0.214 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001574691420 949025389 /nfs/dbraw/zinc/02/53/89/949025389.db2.gz XLJJBGDZPZLDIK-VHSXEESVSA-N 0 1 383.420 0.202 20 0 GCADMN CC(C)c1nnsc1C(=O)N[C@@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574440849 949036492 /nfs/dbraw/zinc/03/64/92/949036492.db2.gz WOOOBHFYPNXEAM-BDAKNGLRSA-N 0 1 388.461 0.672 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575246990 949038389 /nfs/dbraw/zinc/03/83/89/949038389.db2.gz HRRYELSQWPRMCJ-GHMZBOCLSA-N 0 1 389.464 0.148 20 0 GCADMN CC(C)(C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)[C@@H]1CCCCO1 ZINC001573775667 949048743 /nfs/dbraw/zinc/04/87/43/949048743.db2.gz ZRZZCMKRGGHDEK-WFASDCNBSA-N 0 1 389.460 0.168 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccncc1-c1nn[nH]n1 ZINC001574928268 949052870 /nfs/dbraw/zinc/05/28/70/949052870.db2.gz OAUPPHFIKQUTJT-JTQLQIEISA-N 0 1 386.441 0.092 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573779243 949055031 /nfs/dbraw/zinc/05/50/31/949055031.db2.gz DVZODPZYBBGSFC-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)c1cccs1)Nc1ccncc1-c1nn[nH]n1 ZINC001574928269 949055896 /nfs/dbraw/zinc/05/58/96/949055896.db2.gz OAUPPHFIKQUTJT-SNVBAGLBSA-N 0 1 386.441 0.092 20 0 GCADMN C[C@H](NC(=O)C(C)(C)C)C(=O)NCCN(C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575248187 949063902 /nfs/dbraw/zinc/06/39/02/949063902.db2.gz PGKNNFROUPJUBT-ZDUSSCGKSA-N 0 1 387.488 0.966 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)NC/C=C/CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575504480 949074100 /nfs/dbraw/zinc/07/41/00/949074100.db2.gz VMMUCUVOKYPSKO-QAVQXKDTSA-N 0 1 381.400 0.025 20 0 GCADMN C[C@@H](CNC(=O)COCc1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574929290 949087120 /nfs/dbraw/zinc/08/71/20/949087120.db2.gz CFVQCYOHYDHRMF-LBPRGKRZSA-N 0 1 383.416 0.209 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575249277 949093587 /nfs/dbraw/zinc/09/35/87/949093587.db2.gz YSVUBKBQMRFVED-RYUDHWBXSA-N 0 1 388.476 0.753 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573780428 949096185 /nfs/dbraw/zinc/09/61/85/949096185.db2.gz ZAAFDSQENFBHGB-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](CNC(=O)COCc1cccnc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574929559 949096574 /nfs/dbraw/zinc/09/65/74/949096574.db2.gz GKJAZQCMEGNJGV-ZDUSSCGKSA-N 0 1 382.428 0.460 20 0 GCADMN CC(C)c1nocc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574442737 949102763 /nfs/dbraw/zinc/10/27/63/949102763.db2.gz SRZPPONYMOVKHU-LLVKDONJSA-N 0 1 383.416 0.764 20 0 GCADMN CC(C)c1nocc1C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574442770 949102920 /nfs/dbraw/zinc/10/29/20/949102920.db2.gz UOMPJMKDMZYDTJ-NSHDSACASA-N 0 1 386.416 0.340 20 0 GCADMN CC(C)c1nocc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574442738 949104126 /nfs/dbraw/zinc/10/41/26/949104126.db2.gz SRZPPONYMOVKHU-NSHDSACASA-N 0 1 383.416 0.764 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(F)F ZINC001573781477 949109638 /nfs/dbraw/zinc/10/96/38/949109638.db2.gz HQCXCQSKGGAEGZ-VIFPVBQESA-N 0 1 382.375 0.269 20 0 GCADMN CC(C)c1nocc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574443309 949109999 /nfs/dbraw/zinc/10/99/99/949109999.db2.gz XNAZZSFFYSSMOS-UHFFFAOYSA-N 0 1 383.416 0.905 20 0 GCADMN C[C@H](CNC(=O)COC[C@@H]1CCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574931167 949114837 /nfs/dbraw/zinc/11/48/37/949114837.db2.gz OCDXLZXQBNKLEA-DOMZBBRYSA-N 0 1 392.435 0.796 20 0 GCADMN CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446169 949118849 /nfs/dbraw/zinc/11/88/49/949118849.db2.gz IZCDPUNUHLIJNL-MNOVXSKESA-N 0 1 383.416 0.763 20 0 GCADMN CC(C)[C@H]1C[C@@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001574094117 949127414 /nfs/dbraw/zinc/12/74/14/949127414.db2.gz XLZFATUVHHEERZ-OLZOCXBDSA-N 0 1 386.460 0.448 20 0 GCADMN C[C@@H](CNC(=O)COC[C@H]1CCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574932045 949129107 /nfs/dbraw/zinc/12/91/07/949129107.db2.gz UFFPERWWDDZHAV-SWLSCSKDSA-N 0 1 392.435 0.796 20 0 GCADMN CC(C)[C@@H]1C[C@@H]1C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001574094009 949129832 /nfs/dbraw/zinc/12/98/32/949129832.db2.gz UWJXEHGWXSIQGN-KBPBESRZSA-N 0 1 385.472 0.741 20 0 GCADMN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932373 949142601 /nfs/dbraw/zinc/14/26/01/949142601.db2.gz YNUJOYQPXHZRIT-VXGBXAGGSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](CNC(=O)CO[C@@H]1CCOC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932373 949142612 /nfs/dbraw/zinc/14/26/12/949142612.db2.gz YNUJOYQPXHZRIT-VXGBXAGGSA-N 0 1 380.474 0.670 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573783191 949146774 /nfs/dbraw/zinc/14/67/74/949146774.db2.gz WWJSGKPSYAKZGV-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](Nc1cnc(-c2nn[n-]n2)cn1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575251971 949152486 /nfs/dbraw/zinc/15/24/86/949152486.db2.gz DCOYACQCOPQEHU-OLZOCXBDSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](Nc1cnc(-c2nnn[n-]2)cn1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575251971 949152478 /nfs/dbraw/zinc/15/24/78/949152478.db2.gz DCOYACQCOPQEHU-OLZOCXBDSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C(F)F ZINC001573787069 949162359 /nfs/dbraw/zinc/16/23/59/949162359.db2.gz LNDOZOBPOZRTAY-OLZOCXBDSA-N 0 1 380.399 0.819 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574697921 949166062 /nfs/dbraw/zinc/16/60/62/949166062.db2.gz DGJQKFKEGDNYNS-QWHCGFSZSA-N 0 1 382.428 0.805 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573787307 949174851 /nfs/dbraw/zinc/17/48/51/949174851.db2.gz SLWINPRZNLZGRR-AVGNSLFASA-N 0 1 386.460 0.733 20 0 GCADMN C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574934753 949176801 /nfs/dbraw/zinc/17/68/01/949176801.db2.gz PVSJXHVHRFCWBX-VIFPVBQESA-N 0 1 390.354 0.352 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698190 949180396 /nfs/dbraw/zinc/18/03/96/949180396.db2.gz HBCNAJLPCTYSHZ-STQMWFEESA-N 0 1 382.428 0.805 20 0 GCADMN CC(C)c1oncc1C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574448234 949182542 /nfs/dbraw/zinc/18/25/42/949182542.db2.gz GTVVLFUHILZESL-LLVKDONJSA-N 0 1 386.416 0.340 20 0 GCADMN CC(C)c1oncc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001574448816 949192193 /nfs/dbraw/zinc/19/21/93/949192193.db2.gz MPOPTCKXKMTALT-QWRGUYRKSA-N 0 1 381.400 0.871 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2cc(Cl)no2)CC1 ZINC001575853299 949210679 /nfs/dbraw/zinc/21/06/79/949210679.db2.gz NOPOQLCMOXKLAW-UHFFFAOYSA-N 0 1 389.807 0.827 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698887 949214948 /nfs/dbraw/zinc/21/49/48/949214948.db2.gz PVJYQFHGDIAEFR-RYUDHWBXSA-N 0 1 383.416 0.200 20 0 GCADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 ZINC001589604217 949219254 /nfs/dbraw/zinc/21/92/54/949219254.db2.gz AERUZLVTYXHTOH-LJQANCHMSA-N 0 1 377.441 0.744 20 0 GCADMN C[C@@H](CNC(=O)Cc1cc(C2CC2)no1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574936816 949219933 /nfs/dbraw/zinc/21/99/33/949219933.db2.gz LCIAZHDNOUBDSM-SNVBAGLBSA-N 0 1 383.416 0.351 20 0 GCADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@@H]2C[C@@]23CCOC3)CC1 ZINC001575853889 949225799 /nfs/dbraw/zinc/22/57/99/949225799.db2.gz OIHUSQFLDHCJGP-IFXJQAMLSA-N 0 1 383.456 0.903 20 0 GCADMN C[C@@H]1CCC[C@]1(C)C(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576151531 949227166 /nfs/dbraw/zinc/22/71/66/949227166.db2.gz GGYQKACMGLEMAD-ACJLOTCBSA-N 0 1 388.476 0.792 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@@]2(F)CCOC2)CC1 ZINC001575854663 949238602 /nfs/dbraw/zinc/23/86/02/949238602.db2.gz ZJDAMVPKMGNKOK-MRXNPFEDSA-N 0 1 376.396 0.000 20 0 GCADMN CC(C)n1cc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574451927 949247294 /nfs/dbraw/zinc/24/72/94/949247294.db2.gz AWMVHESMRCAIFK-LBPRGKRZSA-N 0 1 382.432 0.430 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574700012 949249108 /nfs/dbraw/zinc/24/91/08/949249108.db2.gz XUGVMYDBFPGAQN-NEPJUHHUSA-N 0 1 383.416 0.200 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)Oc1ccccn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574699983 949250279 /nfs/dbraw/zinc/25/02/79/949250279.db2.gz XMAOOEOVAHUHNE-OLZOCXBDSA-N 0 1 382.428 0.805 20 0 GCADMN CC(C)n1cc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001574451986 949251716 /nfs/dbraw/zinc/25/17/16/949251716.db2.gz DCOIMRXCMSSGNH-CYBMUJFWSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574452516 949261381 /nfs/dbraw/zinc/26/13/81/949261381.db2.gz LSYKEUCAOHEGDK-CYBMUJFWSA-N 0 1 382.432 0.785 20 0 GCADMN C[C@H](NC(=O)C1CCCC1)C(=O)NCCCNc1ccncc1-c1nn[nH]n1 ZINC001575257895 949288153 /nfs/dbraw/zinc/28/81/53/949288153.db2.gz CPSPDROPZNAEKR-LBPRGKRZSA-N 0 1 386.460 0.297 20 0 GCADMN CC(C)n1ccc(C(=O)NC[C@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574457157 949314485 /nfs/dbraw/zinc/31/44/85/949314485.db2.gz ARTCRJWHRRDMJE-GFCCVEGCSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574458800 949346957 /nfs/dbraw/zinc/34/69/57/949346957.db2.gz YSBYSKDTWNHXNT-LBPRGKRZSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575260382 949355290 /nfs/dbraw/zinc/35/52/90/949355290.db2.gz VIYDSVMWSLRHTM-NWDGAFQWSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)n1ccc(CC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574459838 949365864 /nfs/dbraw/zinc/36/58/64/949365864.db2.gz MAXDDBBCWJUFJR-JOCQHMNTSA-N 0 1 382.432 0.158 20 0 GCADMN C[C@H]1CCC[C@@H](OCC(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576154963 949374821 /nfs/dbraw/zinc/37/48/21/949374821.db2.gz SLTWWOQMRUGJOS-UONOGXRCSA-N 0 1 386.460 0.901 20 0 GCADMN CC(C)n1cccc1C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574460701 949378286 /nfs/dbraw/zinc/37/82/86/949378286.db2.gz YERKEIMECWWGSC-CYBMUJFWSA-N 0 1 384.444 0.611 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574704350 949386232 /nfs/dbraw/zinc/38/62/32/949386232.db2.gz MTTMBIDALVPBGV-WDEREUQCSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574704350 949386244 /nfs/dbraw/zinc/38/62/44/949386244.db2.gz MTTMBIDALVPBGV-WDEREUQCSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](CNC(=O)Cc1cnn(C)c1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574944553 949395855 /nfs/dbraw/zinc/39/58/55/949395855.db2.gz FBWSZMXXEXPOPN-GFCCVEGCSA-N 0 1 386.435 0.919 20 0 GCADMN C[C@@H](CNC(=O)Cc1cncn1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574944584 949399552 /nfs/dbraw/zinc/39/95/52/949399552.db2.gz FSNWJQGFQVVXKW-ZETCQYMHSA-N 0 1 381.853 0.869 20 0 GCADMN CC(C)n1cnc(C(=O)N(C)C[C@@H](O)CNc2ccncc2-c2nn[nH]n2)c1 ZINC001574464145 949399890 /nfs/dbraw/zinc/39/98/90/949399890.db2.gz GYAYTSFRJHLOIF-LBPRGKRZSA-N 0 1 385.432 0.006 20 0 GCADMN C[C@@H](CNC(=O)Cc1nnc[nH]1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574944818 949403227 /nfs/dbraw/zinc/40/32/27/949403227.db2.gz GTQCBLSRWPMRJJ-QMMMGPOBSA-N 0 1 376.812 0.217 20 0 GCADMN C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575263839 949411599 /nfs/dbraw/zinc/41/15/99/949411599.db2.gz KCZGMZPPXNNWTP-LLVKDONJSA-N 0 1 389.464 0.150 20 0 GCADMN C[C@@H](NC(=O)[C@H]1COCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575264276 949419251 /nfs/dbraw/zinc/41/92/51/949419251.db2.gz NLESOBILQPGALL-BDJLRTHQSA-N 0 1 390.419 0.358 20 0 GCADMN C[C@@H]1[C@H](CO)CCN1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC001575867391 949433139 /nfs/dbraw/zinc/43/31/39/949433139.db2.gz JMZWSMBETVTGDF-OLZOCXBDSA-N 0 1 382.428 0.694 20 0 GCADMN CC1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575534901 949437745 /nfs/dbraw/zinc/43/77/45/949437745.db2.gz RVNBHGMGGUSFLH-CYBMUJFWSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@@H](CNC(=O)Cn1cc(C2CC2)nn1)CNc1ccncc1-c1nn[nH]n1 ZINC001574948236 949456331 /nfs/dbraw/zinc/45/63/31/949456331.db2.gz GZKXAFGVXOQZPK-LLVKDONJSA-N 0 1 382.432 0.017 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NC[C@H]1CCN1Cc1ccccc1-c1nn[nH]n1 ZINC001573804190 949468367 /nfs/dbraw/zinc/46/83/67/949468367.db2.gz SYIKOAKOIJWYMO-CQSZACIVSA-N 0 1 385.472 0.720 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574948782 949471346 /nfs/dbraw/zinc/47/13/46/949471346.db2.gz MOOPOBWUCYSKSH-SNVBAGLBSA-N 0 1 375.824 0.753 20 0 GCADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccon1 ZINC001576157432 949484304 /nfs/dbraw/zinc/48/43/04/949484304.db2.gz QIWTWUNKZYDAGM-APPDUMDISA-N 0 1 383.416 0.857 20 0 GCADMN C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001574949128 949484814 /nfs/dbraw/zinc/48/48/14/949484814.db2.gz QXNONDZQSPYIMW-SNVBAGLBSA-N 0 1 391.386 0.682 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)NC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574708852 949501328 /nfs/dbraw/zinc/50/13/28/949501328.db2.gz XWGKHXBAKROFQS-BXUZGUMPSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575537785 949503173 /nfs/dbraw/zinc/50/31/73/949503173.db2.gz XTBJEUFUTSBBMW-VBKZILBWSA-N 0 1 390.451 0.996 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871774 949518341 /nfs/dbraw/zinc/51/83/41/949518341.db2.gz BZSALVIXOYHGNV-JSGCOSHPSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871648 949518628 /nfs/dbraw/zinc/51/86/28/949518628.db2.gz BTAMIVYQCRVOBP-STQMWFEESA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871648 949518642 /nfs/dbraw/zinc/51/86/42/949518642.db2.gz BTAMIVYQCRVOBP-STQMWFEESA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](CC(=O)N(C)[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574471084 949521591 /nfs/dbraw/zinc/52/15/91/949521591.db2.gz IVHOKZNLMCRRGR-GHMZBOCLSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949980 949524251 /nfs/dbraw/zinc/52/42/51/949524251.db2.gz ITNRZPCHPPAZIL-BQBZGAKWSA-N 0 1 384.853 0.419 20 0 GCADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cocn1 ZINC001576160059 949525057 /nfs/dbraw/zinc/52/50/57/949525057.db2.gz ZHJQCVBBUSZZGP-APPDUMDISA-N 0 1 383.416 0.857 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575872065 949533756 /nfs/dbraw/zinc/53/37/56/949533756.db2.gz FQIJHHRDESKWHZ-TZMCWYRMSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575872065 949533767 /nfs/dbraw/zinc/53/37/67/949533767.db2.gz FQIJHHRDESKWHZ-TZMCWYRMSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574950254 949534210 /nfs/dbraw/zinc/53/42/10/949534210.db2.gz NATHTOWHNPFIDF-YPMHNXCESA-N 0 1 391.501 0.922 20 0 GCADMN CC(C)N1C(=O)CC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574950254 949534225 /nfs/dbraw/zinc/53/42/25/949534225.db2.gz NATHTOWHNPFIDF-YPMHNXCESA-N 0 1 391.501 0.922 20 0 GCADMN CC(C)n1ncnc1CN[C@H]1C[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574471462 949536604 /nfs/dbraw/zinc/53/66/04/949536604.db2.gz MVTUIGJYPUDQJZ-AULYBMBSSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872315 949544899 /nfs/dbraw/zinc/54/48/99/949544899.db2.gz HOYNHOFCGAIVCU-RYUDHWBXSA-N 0 1 388.432 0.283 20 0 GCADMN C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269655 949555337 /nfs/dbraw/zinc/55/53/37/949555337.db2.gz WDIONRKEUDJTEF-WBMJQRKESA-N 0 1 383.456 0.472 20 0 GCADMN C[C@H]1CCCCN1C(=O)CNC1(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001576164490 949556329 /nfs/dbraw/zinc/55/63/29/949556329.db2.gz GQGBCGVJXGWPJQ-LBPRGKRZSA-N 0 1 386.460 0.448 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CC2CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872943 949562816 /nfs/dbraw/zinc/56/28/16/949562816.db2.gz MHNMDMLWCDVZFZ-TZMCWYRMSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574712379 949581565 /nfs/dbraw/zinc/58/15/65/949581565.db2.gz ROXHMFSXHBQQNF-WDEREUQCSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574712379 949581570 /nfs/dbraw/zinc/58/15/70/949581570.db2.gz ROXHMFSXHBQQNF-WDEREUQCSA-N 0 1 377.474 0.391 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573811314 949594234 /nfs/dbraw/zinc/59/42/34/949594234.db2.gz JYHMMABLELLBDU-CMPLNLGQSA-N 0 1 392.489 0.230 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001573811314 949594251 /nfs/dbraw/zinc/59/42/51/949594251.db2.gz JYHMMABLELLBDU-CMPLNLGQSA-N 0 1 392.489 0.230 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCn2cccn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575873944 949594809 /nfs/dbraw/zinc/59/48/09/949594809.db2.gz CSLMYJJNDOSWKF-CHWSQXEVSA-N 0 1 382.432 0.417 20 0 GCADMN CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574126968 949604705 /nfs/dbraw/zinc/60/47/05/949604705.db2.gz CQLQXFOWFDOLKK-LBPRGKRZSA-N 0 1 376.465 0.382 20 0 GCADMN C[C@H](NC(=O)CCCC(N)=O)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575270899 949605237 /nfs/dbraw/zinc/60/52/37/949605237.db2.gz GYPNJKYQTUDZEQ-NSHDSACASA-N 0 1 389.435 0.598 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575270905 949605462 /nfs/dbraw/zinc/60/54/62/949605462.db2.gz HBYLLXAEORVCDG-KGLIPLIRSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575270905 949605473 /nfs/dbraw/zinc/60/54/73/949605473.db2.gz HBYLLXAEORVCDG-KGLIPLIRSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575270933 949605606 /nfs/dbraw/zinc/60/56/06/949605606.db2.gz HOEHDPBDKTZZRE-VXGBXAGGSA-N 0 1 387.448 0.041 20 0 GCADMN CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574126967 949606231 /nfs/dbraw/zinc/60/62/31/949606231.db2.gz CQLQXFOWFDOLKK-GFCCVEGCSA-N 0 1 376.465 0.382 20 0 GCADMN C[C@H](CC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574476727 949614423 /nfs/dbraw/zinc/61/44/23/949614423.db2.gz JHYKSHNJUSXKPV-GFCCVEGCSA-N 0 1 384.448 0.479 20 0 GCADMN C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575271276 949615657 /nfs/dbraw/zinc/61/56/57/949615657.db2.gz JGLLTOFVSRICLM-CHWSQXEVSA-N 0 1 386.460 0.638 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574476691 949616755 /nfs/dbraw/zinc/61/67/55/949616755.db2.gz JEUKNRFQKPIPHP-VHSXEESVSA-N 0 1 387.366 0.503 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001575874764 949619286 /nfs/dbraw/zinc/61/92/86/949619286.db2.gz GQEGFJQUEPNNHE-AAEUAGOBSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574476755 949620926 /nfs/dbraw/zinc/62/09/26/949620926.db2.gz JMAFOTPFCZMHJV-QWHCGFSZSA-N 0 1 382.432 0.542 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575875217 949627119 /nfs/dbraw/zinc/62/71/19/949627119.db2.gz HPLVJEVXTUFYMO-RISCZKNCSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)CCNC(=O)C1 ZINC001575547557 949631044 /nfs/dbraw/zinc/63/10/44/949631044.db2.gz ZQQFQXOSRIUWIE-XIKOKIGWSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575875391 949631535 /nfs/dbraw/zinc/63/15/35/949631535.db2.gz WGRIXRMWKCVFRP-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575875391 949631551 /nfs/dbraw/zinc/63/15/51/949631551.db2.gz WGRIXRMWKCVFRP-OLZOCXBDSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)CC(C)(C)C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001574129173 949637086 /nfs/dbraw/zinc/63/70/86/949637086.db2.gz RGOQLTVJMJNYGS-UHFFFAOYSA-N 0 1 376.465 0.384 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC(=O)C1 ZINC001575547697 949638591 /nfs/dbraw/zinc/63/85/91/949638591.db2.gz DBJNQDBWHDDUIM-PIGZYNQJSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC(=O)C1 ZINC001575547697 949638604 /nfs/dbraw/zinc/63/86/04/949638604.db2.gz DBJNQDBWHDDUIM-PIGZYNQJSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715070 949641062 /nfs/dbraw/zinc/64/10/62/949641062.db2.gz AKIHXWMUWKTUBC-YPMHNXCESA-N 0 1 389.435 0.469 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H]1CCCCO1 ZINC001573814761 949648578 /nfs/dbraw/zinc/64/85/78/949648578.db2.gz FNKJHLKXIGDPDQ-OLZOCXBDSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2cnoc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576168891 949654442 /nfs/dbraw/zinc/65/44/42/949654442.db2.gz CVBYMXOZMBITFF-YPMHNXCESA-N 0 1 383.416 0.348 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575273042 949660396 /nfs/dbraw/zinc/66/03/96/949660396.db2.gz UYIVQWMDQPWELK-KBPBESRZSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575273042 949660407 /nfs/dbraw/zinc/66/04/07/949660407.db2.gz UYIVQWMDQPWELK-KBPBESRZSA-N 0 1 387.492 0.720 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573815969 949664667 /nfs/dbraw/zinc/66/46/67/949664667.db2.gz MZEBGYCAACQGSA-QLJPJBMISA-N 0 1 378.412 0.150 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1c[nH]nn1 ZINC001573815981 949667272 /nfs/dbraw/zinc/66/72/72/949667272.db2.gz NCVHRUUPUMBTNR-CQSZACIVSA-N 0 1 384.448 0.955 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCn1cccn1 ZINC001573816200 949676747 /nfs/dbraw/zinc/67/67/47/949676747.db2.gz PVIXGRVHGYTGPE-GFCCVEGCSA-N 0 1 384.448 0.308 20 0 GCADMN C[C@H](CN(C)C(=O)CCCC(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716052 949679697 /nfs/dbraw/zinc/67/96/97/949679697.db2.gz HRQBDBCNGSKHCX-LLVKDONJSA-N 0 1 377.424 0.598 20 0 GCADMN C[C@@H]1CCCN(C(=O)C(N)=O)[C@@H]1CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001576169520 949679792 /nfs/dbraw/zinc/67/97/92/949679792.db2.gz YLHJYIJYIIIXCT-QMTHXVAHSA-N 0 1 375.408 0.208 20 0 GCADMN C[C@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576169569 949683831 /nfs/dbraw/zinc/68/38/31/949683831.db2.gz YUXTXVIDORTZHM-CHWSQXEVSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)OCc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574958675 949685953 /nfs/dbraw/zinc/68/59/53/949685953.db2.gz VENULAWUMKLSGO-OLZOCXBDSA-N 0 1 382.428 0.601 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC1OCCCO1 ZINC001573816922 949690970 /nfs/dbraw/zinc/69/09/70/949690970.db2.gz VNUNPMAWLIPEBL-NSHDSACASA-N 0 1 390.448 0.175 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574958998 949698426 /nfs/dbraw/zinc/69/84/26/949698426.db2.gz PFWGQJNBBXCXSG-KWCYVHTRSA-N 0 1 381.444 0.740 20 0 GCADMN C[C@@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)[C@H]1CCCO1 ZINC001574478208 949701949 /nfs/dbraw/zinc/70/19/49/949701949.db2.gz WGLHEJFMFXBWOM-XJKSGUPXSA-N 0 1 389.460 0.122 20 0 GCADMN CC(C)N(CCN(C)c1ccncc1-c1nn[nH]n1)C(=O)C[C@H](C)NC(N)=O ZINC001574478337 949703420 /nfs/dbraw/zinc/70/34/20/949703420.db2.gz WQBSHFSANVGRIQ-LBPRGKRZSA-N 0 1 389.464 0.382 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574959110 949703574 /nfs/dbraw/zinc/70/35/74/949703574.db2.gz ZCVADINCPJWOOP-WFGGJUAMSA-N 0 1 387.444 0.254 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)Cc2cccnc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880629 949704389 /nfs/dbraw/zinc/70/43/89/949704389.db2.gz VAAUMNYAACKHHJ-OCCSQVGLSA-N 0 1 379.428 0.768 20 0 GCADMN C[C@H]1CCCN(C(=O)CNC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001576170300 949712783 /nfs/dbraw/zinc/71/27/83/949712783.db2.gz KAVOTZWJONUBFF-LBPRGKRZSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H](C)NCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574716934 949717869 /nfs/dbraw/zinc/71/78/69/949717869.db2.gz RYSJYRUGZPOKIS-QWRGUYRKSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccco2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170496 949719996 /nfs/dbraw/zinc/71/99/96/949719996.db2.gz LJHVIPLRXQCNFK-OCCSQVGLSA-N 0 1 382.428 0.953 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1ccc(=O)[nH]n1 ZINC001573818194 949724014 /nfs/dbraw/zinc/72/40/14/949724014.db2.gz ICZBMSOOBJASTO-ZDUSSCGKSA-N 0 1 383.416 0.436 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001574479349 949734472 /nfs/dbraw/zinc/73/44/72/949734472.db2.gz DVCIEUXNGDEHGE-GXTWGEPZSA-N 0 1 381.444 0.624 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)NC(N)=O ZINC001574479695 949738238 /nfs/dbraw/zinc/73/82/38/949738238.db2.gz FQKUIPMLVGSNTN-MFKMUULPSA-N 0 1 390.423 0.143 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717683 949739012 /nfs/dbraw/zinc/73/90/12/949739012.db2.gz WJHYIVJUQAWBSZ-QWHCGFSZSA-N 0 1 383.460 0.870 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574962920 949743626 /nfs/dbraw/zinc/74/36/26/949743626.db2.gz FLUBMKDPLKZPMU-LOWVWBTDSA-N 0 1 389.435 0.502 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574962917 949745298 /nfs/dbraw/zinc/74/52/98/949745298.db2.gz FKIJCEWNCJMSNL-IINYFYTJSA-N 0 1 375.408 0.269 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1COCCO1 ZINC001573819270 949749625 /nfs/dbraw/zinc/74/96/25/949749625.db2.gz SAAPCTRDBGBGHK-ZIAGYGMSSA-N 0 1 375.433 0.042 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CCn1cc(Cl)cn1 ZINC001575277556 949756504 /nfs/dbraw/zinc/75/65/04/949756504.db2.gz QWXMEKNSBWZHBP-MNOVXSKESA-N 0 1 389.851 0.929 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574964075 949763338 /nfs/dbraw/zinc/76/33/38/949763338.db2.gz PJFMKOOPFDXVLU-WZRBSPASSA-N 0 1 389.435 0.502 20 0 GCADMN C[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCOC1 ZINC001575559713 949764215 /nfs/dbraw/zinc/76/42/15/949764215.db2.gz DUPCMXYUOOXKDD-LXQQGXESSA-N 0 1 384.444 0.699 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574964160 949767124 /nfs/dbraw/zinc/76/71/24/949767124.db2.gz RAPFSTNZNVVMTD-IINYFYTJSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171798 949781624 /nfs/dbraw/zinc/78/16/24/949781624.db2.gz SLINXXXZEACZLB-OCCSQVGLSA-N 0 1 382.428 0.953 20 0 GCADMN C[C@H](CNC(=O)c1[nH]ncc1Br)Nc1ccncc1-c1nn[nH]n1 ZINC001574965301 949795752 /nfs/dbraw/zinc/79/57/52/949795752.db2.gz FRNQGFVROAPSGT-SSDOTTSWSA-N 0 1 392.221 0.400 20 0 GCADMN C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCNc1ccnc(-c2nn[n-]n2)n1 ZINC001576172546 949805191 /nfs/dbraw/zinc/80/51/91/949805191.db2.gz WUDBPGHQEQTGDL-UONOGXRCSA-N 0 1 387.492 0.459 20 0 GCADMN C[C@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574721129 949810024 /nfs/dbraw/zinc/81/00/24/949810024.db2.gz JLKWGHRXOSXIJZ-GFCCVEGCSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](CN(C)C(=O)CCN1CCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574721129 949810048 /nfs/dbraw/zinc/81/00/48/949810048.db2.gz JLKWGHRXOSXIJZ-GFCCVEGCSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574965796 949816318 /nfs/dbraw/zinc/81/63/18/949816318.db2.gz LYSXNMBIZQVSHS-BTDLBPIBSA-N 0 1 375.408 0.269 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)NC(N)=O ZINC001574482021 949817018 /nfs/dbraw/zinc/81/70/18/949817018.db2.gz YVCFINHYHNKAOG-GXFFZTMASA-N 0 1 390.423 0.143 20 0 GCADMN CC(C)(C)[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573823324 949823975 /nfs/dbraw/zinc/82/39/75/949823975.db2.gz UVWBAJOYMFHQKP-LBPRGKRZSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)(C)[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573823324 949823998 /nfs/dbraw/zinc/82/39/98/949823998.db2.gz UVWBAJOYMFHQKP-LBPRGKRZSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575883657 949825064 /nfs/dbraw/zinc/82/50/64/949825064.db2.gz SCBSITHUHVGBFI-DGCLKSJQSA-N 0 1 382.432 0.106 20 0 GCADMN C[C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576172951 949826150 /nfs/dbraw/zinc/82/61/50/949826150.db2.gz ZUQPUTSHNPOPCS-IMNPFHOJSA-N 0 1 383.456 0.615 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574965972 949826782 /nfs/dbraw/zinc/82/67/82/949826782.db2.gz QLAZUBPFUDGMGI-BIMULSAOSA-N 0 1 375.408 0.064 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574965961 949827797 /nfs/dbraw/zinc/82/77/97/949827797.db2.gz PYCSDXVQAIRCLK-XVMARJQXSA-N 0 1 384.853 0.262 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575883814 949829227 /nfs/dbraw/zinc/82/92/27/949829227.db2.gz SNPUNOOVNCPNFU-ZWNOBZJWSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H](NC(=O)CN(C)CCCN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001575282952 949846580 /nfs/dbraw/zinc/84/65/80/949846580.db2.gz CUBDMYGGLMZFLQ-LBPRGKRZSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@H](NC(=O)CN(C)c1ccccc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575282964 949851820 /nfs/dbraw/zinc/85/18/20/949851820.db2.gz CXDFEFTZHLIWCH-STQMWFEESA-N 0 1 381.444 0.520 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ncccn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177758 949852549 /nfs/dbraw/zinc/85/25/49/949852549.db2.gz BIIBRLZZTFOLQU-VXGBXAGGSA-N 0 1 380.416 0.221 20 0 GCADMN C[C@@H](NC(=O)COCC1CC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575283154 949858017 /nfs/dbraw/zinc/85/80/17/949858017.db2.gz NYYNCDKLMMIDKU-OCCSQVGLSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](NC(=O)CNC(=O)CC(C)(C)C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575283295 949858328 /nfs/dbraw/zinc/85/83/28/949858328.db2.gz FALOEEKMOHLCCG-RYUDHWBXSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574724011 949859226 /nfs/dbraw/zinc/85/92/26/949859226.db2.gz DTMNFQKPYZHQTI-NSHDSACASA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](CN(C)C(=O)CCn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574724011 949859242 /nfs/dbraw/zinc/85/92/42/949859242.db2.gz DTMNFQKPYZHQTI-NSHDSACASA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CNC(=O)CC(C)(C)C ZINC001575283281 949860054 /nfs/dbraw/zinc/86/00/54/949860054.db2.gz FALOEEKMOHLCCG-NEPJUHHUSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574484127 949860560 /nfs/dbraw/zinc/86/05/60/949860560.db2.gz VYWPZUSQYQTWNB-WCQYABFASA-N 0 1 382.432 0.019 20 0 GCADMN C[C@@](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)(NC(=O)CN1CCCC1)C1CC1 ZINC001574966914 949861695 /nfs/dbraw/zinc/86/16/95/949861695.db2.gz COIDDUCOXROQTQ-SFHVURJKSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[nH]n1 ZINC001575283318 949863710 /nfs/dbraw/zinc/86/37/10/949863710.db2.gz FFZGMGBVKJOFAN-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283318 949863725 /nfs/dbraw/zinc/86/37/25/949863725.db2.gz FFZGMGBVKJOFAN-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nnn[n-]1 ZINC001575283318 949863740 /nfs/dbraw/zinc/86/37/40/949863740.db2.gz FFZGMGBVKJOFAN-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283318 949863756 /nfs/dbraw/zinc/86/37/56/949863756.db2.gz FFZGMGBVKJOFAN-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1nccnc1-c1nn[n-]n1 ZINC001575283318 949863776 /nfs/dbraw/zinc/86/37/76/949863776.db2.gz FFZGMGBVKJOFAN-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574484225 949870676 /nfs/dbraw/zinc/87/06/76/949870676.db2.gz FXLGZRCKLBDZSJ-GHMZBOCLSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574484225 949870696 /nfs/dbraw/zinc/87/06/96/949870696.db2.gz FXLGZRCKLBDZSJ-GHMZBOCLSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CNC(=O)c1c2ccccc2nn1C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574967943 949881285 /nfs/dbraw/zinc/88/12/85/949881285.db2.gz KEIVHNFGLDJCFU-NSHDSACASA-N 0 1 392.427 0.443 20 0 GCADMN C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575283716 949882356 /nfs/dbraw/zinc/88/23/56/949882356.db2.gz HACBFYAIBHMYJV-KBPBESRZSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575283657 949882714 /nfs/dbraw/zinc/88/27/14/949882714.db2.gz GPQYYSHYOARBRZ-UONOGXRCSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178492 949885278 /nfs/dbraw/zinc/88/52/78/949885278.db2.gz BRYUHSRQRKMPAC-JQWIXIFHSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccncn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178445 949885626 /nfs/dbraw/zinc/88/56/26/949885626.db2.gz BJYZFRPYGGXNNG-YPMHNXCESA-N 0 1 380.416 0.221 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CN[C@@H](C)c1nnnn1C1CC1 ZINC001574968547 949903606 /nfs/dbraw/zinc/90/36/06/949903606.db2.gz PUAYUQSXNAWLIH-UWVGGRQHSA-N 0 1 385.436 0.233 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284542 949904482 /nfs/dbraw/zinc/90/44/82/949904482.db2.gz JHZLQRAEDKZJLR-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284542 949904495 /nfs/dbraw/zinc/90/44/95/949904495.db2.gz JHZLQRAEDKZJLR-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@]1(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)CCOC1 ZINC001575569139 949910361 /nfs/dbraw/zinc/91/03/61/949910361.db2.gz GSUFMCLGJGLYER-KZULUSFZSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccnnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179219 949910699 /nfs/dbraw/zinc/91/06/99/949910699.db2.gz FAEMVAYTKSCQFV-BLLLJJGKSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)COCc1cccnc1 ZINC001575285083 949931011 /nfs/dbraw/zinc/93/10/11/949931011.db2.gz YEKDSDHUCDXQQA-OLZOCXBDSA-N 0 1 382.428 0.601 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCNC(=O)C1 ZINC001575570562 949938469 /nfs/dbraw/zinc/93/84/69/949938469.db2.gz RXZMYUZNEYVNST-HNAYVOBHSA-N 0 1 383.456 0.474 20 0 GCADMN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574726486 949939558 /nfs/dbraw/zinc/93/95/58/949939558.db2.gz IZDWRLLPBOGLEX-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574726486 949939565 /nfs/dbraw/zinc/93/95/65/949939565.db2.gz IZDWRLLPBOGLEX-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001576180191 949942213 /nfs/dbraw/zinc/94/22/13/949942213.db2.gz CRXBGUSYPMEYHL-NWDGAFQWSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H](NC(=O)CN1CC[C@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001575285464 949943566 /nfs/dbraw/zinc/94/35/66/949943566.db2.gz NOBUHRMDFUTXRM-NWDGAFQWSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001574488095 949943467 /nfs/dbraw/zinc/94/34/67/949943467.db2.gz DIXNLJAKXVFWIA-MLGOLLRUSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H](NC(=O)CN1CCCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575285472 949949761 /nfs/dbraw/zinc/94/97/61/949949761.db2.gz NOYWBRHUEXUIOA-STQMWFEESA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574727093 949955086 /nfs/dbraw/zinc/95/50/86/949955086.db2.gz PCSPFGFMWWPBFU-JTQLQIEISA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574727093 949955107 /nfs/dbraw/zinc/95/51/07/949955107.db2.gz PCSPFGFMWWPBFU-JTQLQIEISA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574727094 949957406 /nfs/dbraw/zinc/95/74/06/949957406.db2.gz PCSPFGFMWWPBFU-SNVBAGLBSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574727094 949957421 /nfs/dbraw/zinc/95/74/21/949957421.db2.gz PCSPFGFMWWPBFU-SNVBAGLBSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180502 949960916 /nfs/dbraw/zinc/96/09/16/949960916.db2.gz DONSJODEILTLDF-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574489371 949962789 /nfs/dbraw/zinc/96/27/89/949962789.db2.gz JFEGLLHRVIFVPS-SKDRFNHKSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)NC(N)=O ZINC001574489371 949962811 /nfs/dbraw/zinc/96/28/11/949962811.db2.gz JFEGLLHRVIFVPS-SKDRFNHKSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574489368 949963072 /nfs/dbraw/zinc/96/30/72/949963072.db2.gz JFEGLLHRVIFVPS-BXKDBHETSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)NC(N)=O ZINC001574489368 949963089 /nfs/dbraw/zinc/96/30/89/949963089.db2.gz JFEGLLHRVIFVPS-BXKDBHETSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001574489344 949963253 /nfs/dbraw/zinc/96/32/53/949963253.db2.gz IVKPYCJTZQGQFX-WCBMZHEXSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@H](NC(=O)CNC(=O)C1CC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575285841 949963039 /nfs/dbraw/zinc/96/30/39/949963039.db2.gz RLHPBRSSTQJCJT-LBPRGKRZSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727316 949965668 /nfs/dbraw/zinc/96/56/68/949965668.db2.gz RWUONKHKIHISOK-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727316 949965679 /nfs/dbraw/zinc/96/56/79/949965679.db2.gz RWUONKHKIHISOK-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)[C@H]1CCN(C2CCC2)C1=O ZINC001574974164 949966877 /nfs/dbraw/zinc/96/68/77/949966877.db2.gz LJLCKLZQSNDMIW-ABAIWWIYSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)[C@@H]1CCN(C2CCC2)C1=O ZINC001574974165 949968079 /nfs/dbraw/zinc/96/80/79/949968079.db2.gz LJLCKLZQSNDMIW-IAQYHMDHSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H](CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574489641 949969176 /nfs/dbraw/zinc/96/91/76/949969176.db2.gz KBZWAGFJPQUQMP-NXEZZACHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574489641 949969194 /nfs/dbraw/zinc/96/91/94/949969194.db2.gz KBZWAGFJPQUQMP-NXEZZACHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180888 949976313 /nfs/dbraw/zinc/97/63/13/949976313.db2.gz KBJBJCLMXVQPJA-ZYHUDNBSSA-N 0 1 384.404 0.205 20 0 GCADMN C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286383 949977612 /nfs/dbraw/zinc/97/76/12/949977612.db2.gz VUIZSMNGFQNSNH-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286383 949977624 /nfs/dbraw/zinc/97/76/24/949977624.db2.gz VUIZSMNGFQNSNH-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180994 949982985 /nfs/dbraw/zinc/98/29/85/949982985.db2.gz QYZLRYAKRAJMMJ-HZMBPMFUSA-N 0 1 385.407 0.899 20 0 GCADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CCCN1C ZINC001574148717 949986354 /nfs/dbraw/zinc/98/63/54/949986354.db2.gz PAXFAEQPVKGZQW-IUODEOHRSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181209 949990837 /nfs/dbraw/zinc/99/08/37/949990837.db2.gz KRBIIGNOZDQVEA-ABAIWWIYSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574490446 949997678 /nfs/dbraw/zinc/99/76/78/949997678.db2.gz RWWVSRXCMBSIOU-UWVGGRQHSA-N 0 1 392.489 0.312 20 0 GCADMN C[C@H](CN(C)C(=O)Cc1cncn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574728787 950010611 /nfs/dbraw/zinc/01/06/11/950010611.db2.gz JSDCOMPOLZBBBI-GFCCVEGCSA-N 0 1 386.435 0.919 20 0 GCADMN CC(C)(C)CC(=O)NCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573834090 950011475 /nfs/dbraw/zinc/01/14/75/950011475.db2.gz FQWYULZQWZNYSU-GFCCVEGCSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001574975646 950036618 /nfs/dbraw/zinc/03/66/18/950036618.db2.gz XWUUKFUCGDLHLU-SMDDNHRTSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@]1(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCCOC1 ZINC001575574869 950037600 /nfs/dbraw/zinc/03/76/00/950037600.db2.gz ZZXWNFPMABSMSU-ACJLOTCBSA-N 0 1 392.435 0.389 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574491628 950038959 /nfs/dbraw/zinc/03/89/59/950038959.db2.gz FBXFNGNMNNCJAR-NWDGAFQWSA-N 0 1 387.448 0.184 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CCN1CCCC1=O ZINC001575891988 950042631 /nfs/dbraw/zinc/04/26/31/950042631.db2.gz QBZCUDNUVGKOQY-STQMWFEESA-N 0 1 386.460 0.400 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncn(C)n1 ZINC001574150999 950051082 /nfs/dbraw/zinc/05/10/82/950051082.db2.gz IZFQMAWMVIETRK-NSHDSACASA-N 0 1 389.489 0.991 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ncn(C)n1 ZINC001574150999 950051107 /nfs/dbraw/zinc/05/11/07/950051107.db2.gz IZFQMAWMVIETRK-NSHDSACASA-N 0 1 389.489 0.991 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)[C@H]1CNCc1ccn(C)n1 ZINC001576182684 950061789 /nfs/dbraw/zinc/06/17/89/950061789.db2.gz OXEOSCPNTGEIAL-LRDDRELGSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@]1(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CC2)CCNC1=O ZINC001575575787 950062929 /nfs/dbraw/zinc/06/29/29/950062929.db2.gz LNCVIDIZDBMIER-QGZVFWFLSA-N 0 1 387.419 0.270 20 0 GCADMN C[C@@H](CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574492200 950068724 /nfs/dbraw/zinc/06/87/24/950068724.db2.gz KXZMSPWVEPSNQJ-HSBZDZAISA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574733080 950093122 /nfs/dbraw/zinc/09/31/22/950093122.db2.gz ROPSROFEUCQIAZ-ABAIWWIYSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574492663 950095879 /nfs/dbraw/zinc/09/58/79/950095879.db2.gz OGXZCOPIXFJUIQ-PXAZEXFGSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@]1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575582067 950098335 /nfs/dbraw/zinc/09/83/35/950098335.db2.gz DDMYXRNVGVPDPE-IRXDYDNUSA-N 0 1 392.485 0.408 20 0 GCADMN C[C@]1(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575582067 950098355 /nfs/dbraw/zinc/09/83/55/950098355.db2.gz DDMYXRNVGVPDPE-IRXDYDNUSA-N 0 1 392.485 0.408 20 0 GCADMN C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183875 950105516 /nfs/dbraw/zinc/10/55/16/950105516.db2.gz RYDNGSRJFUZCOP-NXEZZACHSA-N 0 1 384.366 0.928 20 0 GCADMN C[C@H](CC(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1)C1CC1 ZINC001574492982 950113870 /nfs/dbraw/zinc/11/38/70/950113870.db2.gz PZWPNCPIQAQBPG-GFCCVEGCSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184038 950114771 /nfs/dbraw/zinc/11/47/71/950114771.db2.gz VIVNBKGEUJSQQH-WBMJQRKESA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574493203 950118133 /nfs/dbraw/zinc/11/81/33/950118133.db2.gz FLHHOEDLSZMTKT-PHDIDXHHSA-N 0 1 387.857 0.340 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cnnn2C)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896249 950126794 /nfs/dbraw/zinc/12/67/94/950126794.db2.gz LIESHVZSNSCOOS-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN NC(=O)COc1ccc(CNC(=O)C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000262455294 950129091 /nfs/dbraw/zinc/12/90/91/950129091.db2.gz FFCBXGFGSAAYLZ-PVAVHDDUSA-N 0 1 389.452 0.885 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1c[nH]nn1 ZINC001574153112 950130347 /nfs/dbraw/zinc/13/03/47/950130347.db2.gz MUIUTVONVCWHSV-AWEZNQCLSA-N 0 1 384.448 0.955 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1cnn[nH]1 ZINC001574153112 950130363 /nfs/dbraw/zinc/13/03/63/950130363.db2.gz MUIUTVONVCWHSV-AWEZNQCLSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H]1CCN(C(=O)C2=CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184459 950132002 /nfs/dbraw/zinc/13/20/02/950132002.db2.gz VTZKOSVWOVWUPW-JSGCOSHPSA-N 0 1 384.444 0.322 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccn[nH]2)[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576184614 950133234 /nfs/dbraw/zinc/13/32/34/950133234.db2.gz WVOGAMUVOPUZQW-YGRLFVJLSA-N 0 1 383.416 0.589 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C)Nc1ccncc1-c1nn[nH]n1 ZINC001574734234 950134061 /nfs/dbraw/zinc/13/40/61/950134061.db2.gz LASXJVFYRUKXFI-YNEHKIRRSA-N 0 1 381.444 0.480 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576184662 950135945 /nfs/dbraw/zinc/13/59/45/950135945.db2.gz WXFUMVVTPGYDGE-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576184662 950135965 /nfs/dbraw/zinc/13/59/65/950135965.db2.gz WXFUMVVTPGYDGE-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576184662 950135978 /nfs/dbraw/zinc/13/59/78/950135978.db2.gz WXFUMVVTPGYDGE-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576184662 950135990 /nfs/dbraw/zinc/13/59/90/950135990.db2.gz WXFUMVVTPGYDGE-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)(C)CC(C)(C)C(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573839913 950138273 /nfs/dbraw/zinc/13/82/73/950138273.db2.gz ZAECQGPBRAJNTD-NSHDSACASA-N 0 1 376.465 0.430 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576184868 950140824 /nfs/dbraw/zinc/14/08/24/950140824.db2.gz XIYXZBZAFNSLHR-NWDGAFQWSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H](CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574493909 950140992 /nfs/dbraw/zinc/14/09/92/950140992.db2.gz VGQKHCXHKJQYHE-GFCCVEGCSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CCCOC1 ZINC001575583283 950141234 /nfs/dbraw/zinc/14/12/34/950141234.db2.gz KWFHVDQASXRBLW-ZIVKBKJYSA-N 0 1 384.444 0.272 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2=NC(=O)N(C)C2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575897647 950144684 /nfs/dbraw/zinc/14/46/84/950144684.db2.gz PMCRBDJEFLWCGT-CMPLNLGQSA-N 0 1 383.416 0.488 20 0 GCADMN C[N@@H+](CCC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000262643211 950145808 /nfs/dbraw/zinc/14/58/08/950145808.db2.gz JJVMWCGFAMJXPV-UHFFFAOYSA-N 0 1 383.470 0.067 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574734800 950146003 /nfs/dbraw/zinc/14/60/03/950146003.db2.gz ROPSROFEUCQIAZ-XHDPSFHLSA-N 0 1 389.435 0.563 20 0 GCADMN CC1(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575584084 950161962 /nfs/dbraw/zinc/16/19/62/950161962.db2.gz PHMNXBQBUYHGLP-CYBMUJFWSA-N 0 1 386.460 0.806 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(=O)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574738226 950167095 /nfs/dbraw/zinc/16/70/95/950167095.db2.gz CUXHNFOOGVMYIC-SNVBAGLBSA-N 0 1 386.391 0.339 20 0 GCADMN C[C@]1(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)CCOC1 ZINC001575584419 950171149 /nfs/dbraw/zinc/17/11/49/950171149.db2.gz QWNVXPFSAKASBE-ACJLOTCBSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574982616 950174443 /nfs/dbraw/zinc/17/44/43/950174443.db2.gz FQUOLDVUQMSRRA-YFKPBYRVSA-N 0 1 381.809 0.290 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CCc1cnc[nH]1 ZINC001574154697 950174674 /nfs/dbraw/zinc/17/46/74/950174674.db2.gz GCPQKUFNWPVSKV-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574982599 950175213 /nfs/dbraw/zinc/17/52/13/950175213.db2.gz FBZQEPIUMUKIHZ-JTQLQIEISA-N 0 1 388.407 0.695 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574154629 950175499 /nfs/dbraw/zinc/17/54/99/950175499.db2.gz FMOIHUULOVTJKC-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574154629 950175512 /nfs/dbraw/zinc/17/55/12/950175512.db2.gz FMOIHUULOVTJKC-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001574154629 950175521 /nfs/dbraw/zinc/17/55/21/950175521.db2.gz FMOIHUULOVTJKC-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574154629 950175531 /nfs/dbraw/zinc/17/55/31/950175531.db2.gz FMOIHUULOVTJKC-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)(NC(=O)CN1CCCC1)C1CC1 ZINC001574982664 950176203 /nfs/dbraw/zinc/17/62/03/950176203.db2.gz FIOQOUPPGWOOTE-SFHVURJKSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576190954 950176382 /nfs/dbraw/zinc/17/63/82/950176382.db2.gz DXLPNVLTLWFJGK-ZIAGYGMSSA-N 0 1 381.444 0.477 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574982601 950176809 /nfs/dbraw/zinc/17/68/09/950176809.db2.gz FCYHLMJXJMPKFA-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574982601 950176820 /nfs/dbraw/zinc/17/68/20/950176820.db2.gz FCYHLMJXJMPKFA-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574154963 950177713 /nfs/dbraw/zinc/17/77/13/950177713.db2.gz HGYBRYWDBVBMOD-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574154963 950177729 /nfs/dbraw/zinc/17/77/29/950177729.db2.gz HGYBRYWDBVBMOD-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574154963 950177741 /nfs/dbraw/zinc/17/77/41/950177741.db2.gz HGYBRYWDBVBMOD-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574154963 950177753 /nfs/dbraw/zinc/17/77/53/950177753.db2.gz HGYBRYWDBVBMOD-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574154751 950177828 /nfs/dbraw/zinc/17/78/28/950177828.db2.gz HBLGRCCVNBAJIL-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574154751 950177840 /nfs/dbraw/zinc/17/78/40/950177840.db2.gz HBLGRCCVNBAJIL-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCc1cnsn1 ZINC001576190980 950180592 /nfs/dbraw/zinc/18/05/92/950180592.db2.gz FILIJZSURMOKTQ-ZYHUDNBSSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191155 950189584 /nfs/dbraw/zinc/18/95/84/950189584.db2.gz DSQQFNMJAZNJHM-MNOVXSKESA-N 0 1 385.457 0.745 20 0 GCADMN C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191158 950189685 /nfs/dbraw/zinc/18/96/85/950189685.db2.gz DSQQFNMJAZNJHM-QWRGUYRKSA-N 0 1 385.457 0.745 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574155460 950194282 /nfs/dbraw/zinc/19/42/82/950194282.db2.gz LPACYMPOLLNASR-UONOGXRCSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574155460 950194291 /nfs/dbraw/zinc/19/42/91/950194291.db2.gz LPACYMPOLLNASR-UONOGXRCSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574155460 950194307 /nfs/dbraw/zinc/19/43/07/950194307.db2.gz LPACYMPOLLNASR-UONOGXRCSA-N 0 1 387.492 0.506 20 0 GCADMN C[C@H]1CCN(C(=O)c2cncnc2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191383 950196555 /nfs/dbraw/zinc/19/65/55/950196555.db2.gz FSVFHWHKFXSFSE-AAEUAGOBSA-N 0 1 380.416 0.079 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CCc1c[nH]nn1 ZINC001574155729 950206400 /nfs/dbraw/zinc/20/64/00/950206400.db2.gz QZOXGLXAJUDZKE-GFCCVEGCSA-N 0 1 385.436 0.350 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574496104 950212359 /nfs/dbraw/zinc/21/23/59/950212359.db2.gz VPUVCEPLRKQFIL-GXTWGEPZSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576191909 950212964 /nfs/dbraw/zinc/21/29/64/950212964.db2.gz IZCILOMLOMDXGO-GFCCVEGCSA-N 0 1 375.502 0.913 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)s3)C2)C1 ZINC001576191909 950212978 /nfs/dbraw/zinc/21/29/78/950212978.db2.gz IZCILOMLOMDXGO-GFCCVEGCSA-N 0 1 375.502 0.913 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574155953 950214577 /nfs/dbraw/zinc/21/45/77/950214577.db2.gz SGVFOHCZSHBHIO-ZDUSSCGKSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574155953 950214585 /nfs/dbraw/zinc/21/45/85/950214585.db2.gz SGVFOHCZSHBHIO-ZDUSSCGKSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574156092 950220303 /nfs/dbraw/zinc/22/03/03/950220303.db2.gz WPBMKPKHBVDCJU-ACJLOTCBSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccn2C)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191972 950220401 /nfs/dbraw/zinc/22/04/01/950220401.db2.gz KXSLSMKQRQNSSN-OLZOCXBDSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575901211 950223027 /nfs/dbraw/zinc/22/30/27/950223027.db2.gz MLMYCFHTTKSFEN-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn(C)n2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192159 950226335 /nfs/dbraw/zinc/22/63/35/950226335.db2.gz KFRQQNUUNCWSJK-CHWSQXEVSA-N 0 1 381.444 0.627 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)CCc1cnc[nH]1 ZINC001574157451 950238413 /nfs/dbraw/zinc/23/84/13/950238413.db2.gz BMMHTOMFQKGRQV-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@]1(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CCNC(=O)C1 ZINC001575587892 950239290 /nfs/dbraw/zinc/23/92/90/950239290.db2.gz OXJLVWKHRIYWFL-XIKOKIGWSA-N 0 1 384.444 0.121 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC(=O)N1 ZINC001574157570 950240937 /nfs/dbraw/zinc/24/09/37/950240937.db2.gz DBEMRJHJOKLQQR-SWLSCSKDSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192374 950242034 /nfs/dbraw/zinc/24/20/34/950242034.db2.gz MCNMOKYHOYCGSS-WDEREUQCSA-N 0 1 385.407 0.756 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576192362 950242914 /nfs/dbraw/zinc/24/29/14/950242914.db2.gz MCCKEKRTPRVSOK-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576192362 950242930 /nfs/dbraw/zinc/24/29/30/950242930.db2.gz MCCKEKRTPRVSOK-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576192362 950242944 /nfs/dbraw/zinc/24/29/44/950242944.db2.gz MCCKEKRTPRVSOK-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576192362 950242957 /nfs/dbraw/zinc/24/29/57/950242957.db2.gz MCCKEKRTPRVSOK-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192531 950250981 /nfs/dbraw/zinc/25/09/81/950250981.db2.gz NGGKXWNAHYHARX-GXTWGEPZSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@]1(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575588736 950251915 /nfs/dbraw/zinc/25/19/15/950251915.db2.gz RJTMCAONCMLTNU-XIKOKIGWSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192533 950252108 /nfs/dbraw/zinc/25/21/08/950252108.db2.gz NGGKXWNAHYHARX-JSGCOSHPSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902269 950253654 /nfs/dbraw/zinc/25/36/54/950253654.db2.gz UEVFUGDDXJPRFO-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cncn2C)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192586 950253720 /nfs/dbraw/zinc/25/37/20/950253720.db2.gz NTZWLOHANYYYQU-NEPJUHHUSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192536 950254132 /nfs/dbraw/zinc/25/41/32/950254132.db2.gz NGGKXWNAHYHARX-TZMCWYRMSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccncc1 ZINC001574498001 950253916 /nfs/dbraw/zinc/25/39/16/950253916.db2.gz IDBKGWAJLCEVKT-GXTWGEPZSA-N 0 1 382.428 0.161 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(=O)n1C ZINC001574157799 950254694 /nfs/dbraw/zinc/25/46/94/950254694.db2.gz IVETUQLDQZWFBD-LLVKDONJSA-N 0 1 385.432 0.379 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001574158006 950266803 /nfs/dbraw/zinc/26/68/03/950266803.db2.gz MVELYKHHPXPEAV-STQMWFEESA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1nccnc1N ZINC001574157996 950267497 /nfs/dbraw/zinc/26/74/97/950267497.db2.gz MIDVIVWBNISIOT-NSHDSACASA-N 0 1 382.432 0.312 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccccn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192896 950270545 /nfs/dbraw/zinc/27/05/45/950270545.db2.gz RFIDKUXNQDSVBS-CHWSQXEVSA-N 0 1 379.428 0.684 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CCn1cncn1 ZINC001574158269 950276438 /nfs/dbraw/zinc/27/64/38/950276438.db2.gz QBVUCSFOPVFMAH-ZDUSSCGKSA-N 0 1 384.448 0.308 20 0 GCADMN C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CNCc1cnsn1 ZINC001576192960 950278208 /nfs/dbraw/zinc/27/82/08/950278208.db2.gz RUVFGCDPBFCTBH-CMPLNLGQSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1ccnn1 ZINC001575904681 950283615 /nfs/dbraw/zinc/28/36/15/950283615.db2.gz AFWFRGQQNSQNPV-YPMHNXCESA-N 0 1 387.473 0.689 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1ccnn1 ZINC001575904681 950283632 /nfs/dbraw/zinc/28/36/32/950283632.db2.gz AFWFRGQQNSQNPV-YPMHNXCESA-N 0 1 387.473 0.689 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cccc1 ZINC001574498839 950284276 /nfs/dbraw/zinc/28/42/76/950284276.db2.gz QDDAVVGLUNTZPJ-QWHCGFSZSA-N 0 1 389.485 0.948 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cccc1 ZINC001574498839 950284293 /nfs/dbraw/zinc/28/42/93/950284293.db2.gz QDDAVVGLUNTZPJ-QWHCGFSZSA-N 0 1 389.485 0.948 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(F)CCOC1 ZINC001574159240 950295715 /nfs/dbraw/zinc/29/57/15/950295715.db2.gz UQLOYMPGFQFHIB-PXAZEXFGSA-N 0 1 377.424 0.755 20 0 GCADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)n1cccc1 ZINC001574499215 950298277 /nfs/dbraw/zinc/29/82/77/950298277.db2.gz TZOSGNXZLOTDEQ-CYBMUJFWSA-N 0 1 381.444 0.982 20 0 GCADMN C[C@@H](CC(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1)NC(N)=O ZINC001574500207 950308855 /nfs/dbraw/zinc/30/88/55/950308855.db2.gz YDGAFNWPHDBTAT-JTQLQIEISA-N 0 1 390.423 0.191 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001574159685 950311861 /nfs/dbraw/zinc/31/18/61/950311861.db2.gz XYUVGXITANXRTB-ZFWWWQNUSA-N 0 1 389.508 0.608 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnn(C)n2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193692 950313203 /nfs/dbraw/zinc/31/32/03/950313203.db2.gz VKNGIDYJUNLQRH-NWDGAFQWSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)(C)OC(=O)N1CC[C@H]1CNS(=O)(=O)c1ccc(-c2nn[nH]n2)o1 ZINC001573852857 950313420 /nfs/dbraw/zinc/31/34/20/950313420.db2.gz KBTXYOURYZYPAL-VIFPVBQESA-N 0 1 384.418 0.747 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCNC(N)=O ZINC001575906518 950315123 /nfs/dbraw/zinc/31/51/23/950315123.db2.gz IRRZWMAHENNFOD-ONGXEEELSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCNC(N)=O ZINC001575906518 950315141 /nfs/dbraw/zinc/31/51/41/950315141.db2.gz IRRZWMAHENNFOD-ONGXEEELSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CNCc1csnn1 ZINC001576193768 950315906 /nfs/dbraw/zinc/31/59/06/950315906.db2.gz WZTCXJRCZOHWHL-PWSUYJOCSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574743209 950316754 /nfs/dbraw/zinc/31/67/54/950316754.db2.gz UAOGTGPNAAMXLV-HWPZZCPQSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](CN(C)C(=O)[C@]1(C)CCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574743209 950316774 /nfs/dbraw/zinc/31/67/74/950316774.db2.gz UAOGTGPNAAMXLV-HWPZZCPQSA-N 0 1 377.474 0.533 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574159733 950317490 /nfs/dbraw/zinc/31/74/90/950317490.db2.gz YQTVGXPFAMOZPS-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574159733 950317510 /nfs/dbraw/zinc/31/75/10/950317510.db2.gz YQTVGXPFAMOZPS-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)(C)OC(=O)N(CCO)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573853415 950322242 /nfs/dbraw/zinc/32/22/42/950322242.db2.gz OPTGEWGZBRXTBZ-UHFFFAOYSA-N 0 1 390.448 0.855 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnc[nH]c1=O ZINC001575907395 950334412 /nfs/dbraw/zinc/33/44/12/950334412.db2.gz OBJFUICLNOXWFE-SKDRFNHKSA-N 0 1 386.441 0.817 20 0 GCADMN C[C@@H]1[C@@H](NCc2cc3n(n2)CCC3)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575907618 950336637 /nfs/dbraw/zinc/33/66/37/950336637.db2.gz PQQXDIDVVPBELC-RISCZKNCSA-N 0 1 381.444 0.730 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576194485 950345360 /nfs/dbraw/zinc/34/53/60/950345360.db2.gz ZIJKXOKKMOVWLX-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574501881 950349034 /nfs/dbraw/zinc/34/90/34/950349034.db2.gz HCMKELXJSKSPSL-STQMWFEESA-N 0 1 382.432 0.590 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CN1CCCC1=O ZINC001575907972 950349089 /nfs/dbraw/zinc/34/90/89/950349089.db2.gz SCSRFNDARNIYGO-AAEUAGOBSA-N 0 1 389.485 0.630 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CN1CCCC1=O ZINC001575907972 950349108 /nfs/dbraw/zinc/34/91/08/950349108.db2.gz SCSRFNDARNIYGO-AAEUAGOBSA-N 0 1 389.485 0.630 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576196232 950352942 /nfs/dbraw/zinc/35/29/42/950352942.db2.gz BGPRNGOCLFHRHZ-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196232 950352967 /nfs/dbraw/zinc/35/29/67/950352967.db2.gz BGPRNGOCLFHRHZ-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196232 950352988 /nfs/dbraw/zinc/35/29/88/950352988.db2.gz BGPRNGOCLFHRHZ-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576196255 950353402 /nfs/dbraw/zinc/35/34/02/950353402.db2.gz BSRHZUXMSYTAQC-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576196199 950353999 /nfs/dbraw/zinc/35/39/99/950353999.db2.gz AFRMPAKWOBUVSY-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576196199 950354025 /nfs/dbraw/zinc/35/40/25/950354025.db2.gz AFRMPAKWOBUVSY-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576196192 950355957 /nfs/dbraw/zinc/35/59/57/950355957.db2.gz ACWQKILTSODDGM-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576196192 950355975 /nfs/dbraw/zinc/35/59/75/950355975.db2.gz ACWQKILTSODDGM-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576196192 950355997 /nfs/dbraw/zinc/35/59/97/950355997.db2.gz ACWQKILTSODDGM-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576196192 950356018 /nfs/dbraw/zinc/35/60/18/950356018.db2.gz ACWQKILTSODDGM-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576196193 950356784 /nfs/dbraw/zinc/35/67/84/950356784.db2.gz ACWQKILTSODDGM-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576196193 950356805 /nfs/dbraw/zinc/35/68/05/950356805.db2.gz ACWQKILTSODDGM-KGLIPLIRSA-N 0 1 385.476 0.426 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C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2ccnc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576205494 950525962 /nfs/dbraw/zinc/52/59/62/950525962.db2.gz ZERAYMIEJTYUJL-KPZWWZAWSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576205494 950525976 /nfs/dbraw/zinc/52/59/76/950525976.db2.gz ZERAYMIEJTYUJL-KPZWWZAWSA-N 0 1 385.476 0.117 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576205494 950525989 /nfs/dbraw/zinc/52/59/89/950525989.db2.gz ZERAYMIEJTYUJL-KPZWWZAWSA-N 0 1 385.476 0.117 20 0 GCADMN CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575614395 950530910 /nfs/dbraw/zinc/53/09/10/950530910.db2.gz ARTXXLCUOFCNGB-AGIUHOORSA-N 0 1 384.444 0.699 20 0 GCADMN CC(C)(C)OCC(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573867350 950532754 /nfs/dbraw/zinc/53/27/54/950532754.db2.gz WYOWTWGHDYZHLD-SFHVURJKSA-N 0 1 389.460 0.264 20 0 GCADMN CC1CCN(CC(=O)NC[C@H]2CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576205681 950533040 /nfs/dbraw/zinc/53/30/40/950533040.db2.gz MLDQBVJOOSNGCR-OAHLLOKOSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)C1 ZINC001576205736 950533249 /nfs/dbraw/zinc/53/32/49/950533249.db2.gz NYDRSRVEKOBNRA-CYBMUJFWSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2(Nc3cnc(-c4nn[n-]n4)cn3)CCCC2)C1 ZINC001576205736 950533268 /nfs/dbraw/zinc/53/32/68/950533268.db2.gz NYDRSRVEKOBNRA-CYBMUJFWSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)nn1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574997057 950539761 /nfs/dbraw/zinc/53/97/61/950539761.db2.gz QLXSMTQNCQXOFL-SNVBAGLBSA-N 0 1 384.448 0.340 20 0 GCADMN C[C@H](CN(C)C(=O)c1cccc(C(N)=O)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574753822 950543159 /nfs/dbraw/zinc/54/31/59/950543159.db2.gz SYVAAANGKGLQGD-LLVKDONJSA-N 0 1 380.412 0.355 20 0 GCADMN CC(C)(C)OCC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573868682 950545035 /nfs/dbraw/zinc/54/50/35/950545035.db2.gz FYZCQZJQVHZYLU-LLVKDONJSA-N 0 1 376.465 0.837 20 0 GCADMN CC(C)(C)OCC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573868683 950546245 /nfs/dbraw/zinc/54/62/45/950546245.db2.gz FYZCQZJQVHZYLU-NSHDSACASA-N 0 1 376.465 0.837 20 0 GCADMN C[C@H](CNC(=O)CN1CCC(C)CC1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576205933 950547258 /nfs/dbraw/zinc/54/72/58/950547258.db2.gz RKABJJVBHNJOGD-CYBMUJFWSA-N 0 1 388.476 0.409 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)C1 ZINC001576205923 950547373 /nfs/dbraw/zinc/54/73/73/950547373.db2.gz RILRWUBFIOEYST-MIGQKNRLSA-N 0 1 382.472 0.402 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)C1 ZINC001576205923 950547382 /nfs/dbraw/zinc/54/73/82/950547382.db2.gz RILRWUBFIOEYST-MIGQKNRLSA-N 0 1 382.472 0.402 20 0 GCADMN CC(C)(C)OCC(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001573869035 950549460 /nfs/dbraw/zinc/54/94/60/950549460.db2.gz JIIAWXQVATYJQC-OLZOCXBDSA-N 0 1 386.460 0.757 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576205986 950551794 /nfs/dbraw/zinc/55/17/94/950551794.db2.gz SKKHCMCHYAXPFR-LSDHHAIUSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576205986 950551800 /nfs/dbraw/zinc/55/18/00/950551800.db2.gz SKKHCMCHYAXPFR-LSDHHAIUSA-N 0 1 384.488 0.936 20 0 GCADMN CC(C)CCC(=O)N1CC[C@@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001574171147 950556557 /nfs/dbraw/zinc/55/65/57/950556557.db2.gz OMGNRLTYNMTWFU-SFHVURJKSA-N 0 1 386.460 0.901 20 0 GCADMN CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573869175 950557804 /nfs/dbraw/zinc/55/78/04/950557804.db2.gz MCSCFLGZEJHYDG-QWHCGFSZSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576206280 950563458 /nfs/dbraw/zinc/56/34/58/950563458.db2.gz WAIFYLDIWSRTRL-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576206280 950563467 /nfs/dbraw/zinc/56/34/67/950563467.db2.gz WAIFYLDIWSRTRL-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576206280 950563480 /nfs/dbraw/zinc/56/34/80/950563480.db2.gz WAIFYLDIWSRTRL-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576206249 950563965 /nfs/dbraw/zinc/56/39/65/950563965.db2.gz VTYYKCNNIOEMOT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(c3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576206249 950563982 /nfs/dbraw/zinc/56/39/82/950563982.db2.gz VTYYKCNNIOEMOT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576206249 950563990 /nfs/dbraw/zinc/56/39/90/950563990.db2.gz VTYYKCNNIOEMOT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC2CCN(c3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576206249 950564005 /nfs/dbraw/zinc/56/40/05/950564005.db2.gz VTYYKCNNIOEMOT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575616012 950580431 /nfs/dbraw/zinc/58/04/31/950580431.db2.gz KTERZINXXNZOCD-UHFFFAOYSA-N 0 1 388.476 0.384 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCCC2(CNc3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576206834 950581824 /nfs/dbraw/zinc/58/18/24/950581824.db2.gz ZFRASKVPFFHRGA-ZDUSSCGKSA-N 0 1 385.476 0.119 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576206834 950581839 /nfs/dbraw/zinc/58/18/39/950581839.db2.gz ZFRASKVPFFHRGA-ZDUSSCGKSA-N 0 1 385.476 0.119 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCCC2(CNc3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576206834 950581855 /nfs/dbraw/zinc/58/18/55/950581855.db2.gz ZFRASKVPFFHRGA-ZDUSSCGKSA-N 0 1 385.476 0.119 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576206907 950582472 /nfs/dbraw/zinc/58/24/72/950582472.db2.gz ZKZLNDKWEAIOQL-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576206907 950582486 /nfs/dbraw/zinc/58/24/86/950582486.db2.gz ZKZLNDKWEAIOQL-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576206907 950582503 /nfs/dbraw/zinc/58/25/03/950582503.db2.gz ZKZLNDKWEAIOQL-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576206907 950582518 /nfs/dbraw/zinc/58/25/18/950582518.db2.gz ZKZLNDKWEAIOQL-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576206905 950583264 /nfs/dbraw/zinc/58/32/64/950583264.db2.gz ZKZLNDKWEAIOQL-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576206905 950583279 /nfs/dbraw/zinc/58/32/79/950583279.db2.gz ZKZLNDKWEAIOQL-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576206905 950583291 /nfs/dbraw/zinc/58/32/91/950583291.db2.gz ZKZLNDKWEAIOQL-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCN(c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576206905 950583303 /nfs/dbraw/zinc/58/33/03/950583303.db2.gz ZKZLNDKWEAIOQL-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H](CNC(=O)c1cc(Cl)cn1C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574999669 950583340 /nfs/dbraw/zinc/58/33/40/950583340.db2.gz LJTSBDCJXBJWEO-SECBINFHSA-N 0 1 375.824 0.903 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCC2)C1 ZINC001576206960 950587746 /nfs/dbraw/zinc/58/77/46/950587746.db2.gz ZWPLTQQBCDDGHP-CYBMUJFWSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2(Nc3nccnc3-c3nn[n-]n3)CCCC2)C1 ZINC001576206960 950587763 /nfs/dbraw/zinc/58/77/63/950587763.db2.gz ZWPLTQQBCDDGHP-CYBMUJFWSA-N 0 1 385.476 0.839 20 0 GCADMN CC(C)(C)OCC(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573870213 950590122 /nfs/dbraw/zinc/59/01/22/950590122.db2.gz GYDAFNJVCFRJAW-GFCCVEGCSA-N 0 1 380.424 0.388 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)COC1CCCCC1 ZINC001575918424 950591891 /nfs/dbraw/zinc/59/18/91/950591891.db2.gz BUQUSNLXTWAIHA-OCCSQVGLSA-N 0 1 386.460 0.829 20 0 GCADMN CC1CC[NH+](CC(=O)NCCN(c2ccnc(-c3nn[n-]n3)n2)C2CC2)CC1 ZINC001576207385 950592466 /nfs/dbraw/zinc/59/24/66/950592466.db2.gz GSUNUHMAWQMDQB-UHFFFAOYSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001576207427 950597199 /nfs/dbraw/zinc/59/71/99/950597199.db2.gz HWEKBOVPRLNPBN-BFHYXJOUSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]2C)C1 ZINC001576207427 950597221 /nfs/dbraw/zinc/59/72/21/950597221.db2.gz HWEKBOVPRLNPBN-BFHYXJOUSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001576207427 950597243 /nfs/dbraw/zinc/59/72/43/950597243.db2.gz HWEKBOVPRLNPBN-BFHYXJOUSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]2C)C1 ZINC001576207427 950597257 /nfs/dbraw/zinc/59/72/57/950597257.db2.gz HWEKBOVPRLNPBN-BFHYXJOUSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576207696 950601421 /nfs/dbraw/zinc/60/14/21/950601421.db2.gz IQMXSDZWQMHVKK-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCCCN(c2cncc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576207696 950601437 /nfs/dbraw/zinc/60/14/37/950601437.db2.gz IQMXSDZWQMHVKK-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576207696 950601447 /nfs/dbraw/zinc/60/14/47/950601447.db2.gz IQMXSDZWQMHVKK-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCCCN(c2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576207696 950601455 /nfs/dbraw/zinc/60/14/55/950601455.db2.gz IQMXSDZWQMHVKK-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)CCC(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574173807 950602152 /nfs/dbraw/zinc/60/21/52/950602152.db2.gz MYFFNVJDGGUBMX-CQSZACIVSA-N 0 1 388.476 0.883 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cc1ncccc1F ZINC001575919026 950603694 /nfs/dbraw/zinc/60/36/94/950603694.db2.gz FNOFOYRPYUTXTM-PWSUYJOCSA-N 0 1 383.391 0.257 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cc1ncccc1F ZINC001575919023 950603847 /nfs/dbraw/zinc/60/38/47/950603847.db2.gz FNOFOYRPYUTXTM-CMPLNLGQSA-N 0 1 383.391 0.257 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576208077 950606520 /nfs/dbraw/zinc/60/65/20/950606520.db2.gz MIZHICIUORWVTP-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576208077 950606526 /nfs/dbraw/zinc/60/65/26/950606526.db2.gz MIZHICIUORWVTP-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576208077 950606538 /nfs/dbraw/zinc/60/65/38/950606538.db2.gz MIZHICIUORWVTP-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576208077 950606543 /nfs/dbraw/zinc/60/65/43/950606543.db2.gz MIZHICIUORWVTP-MELADBBJSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccncc1-c1nn[nH]n1 ZINC001575000734 950613867 /nfs/dbraw/zinc/61/38/67/950613867.db2.gz SABODMDHSJCYSD-VIFPVBQESA-N 0 1 389.370 0.889 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccncc1-c1nn[nH]n1 ZINC001575000732 950614674 /nfs/dbraw/zinc/61/46/74/950614674.db2.gz SABODMDHSJCYSD-SECBINFHSA-N 0 1 389.370 0.889 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576208678 950617561 /nfs/dbraw/zinc/61/75/61/950617561.db2.gz SEHLAENQPJPEBT-HZSPNIEDSA-N 0 1 385.476 0.695 20 0 GCADMN 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ZAFONMWUSYJUNB-ZYHUDNBSSA-N 0 1 385.457 0.569 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216294 950727853 /nfs/dbraw/zinc/72/78/53/950727853.db2.gz HOPJPJPMWQLVPW-QWRGUYRKSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763731 950729594 /nfs/dbraw/zinc/72/95/94/950729594.db2.gz JCIULSUCIYIFFT-MRVPVSSYSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575927049 950729686 /nfs/dbraw/zinc/72/96/86/950729686.db2.gz ZUUPYLGVDRIXQC-WDEREUQCSA-N 0 1 385.457 0.569 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575927227 950738817 /nfs/dbraw/zinc/73/88/17/950738817.db2.gz ONIGXEPSQNYVGR-GXSJLCMTSA-N 0 1 382.384 0.091 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763960 950740813 /nfs/dbraw/zinc/74/08/13/950740813.db2.gz NVYHIVANZKWRHK-MRVPVSSYSA-N 0 1 376.812 0.038 20 0 GCADMN 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ZINC001575929598 950788145 /nfs/dbraw/zinc/78/81/45/950788145.db2.gz CRHJWWDGENMGPZ-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575929598 950788161 /nfs/dbraw/zinc/78/81/61/950788161.db2.gz CRHJWWDGENMGPZ-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884439 950796001 /nfs/dbraw/zinc/79/60/01/950796001.db2.gz MUHHPBDZWTXPFY-SNVBAGLBSA-N 0 1 382.432 0.426 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574522904 950801802 /nfs/dbraw/zinc/80/18/02/950801802.db2.gz LTLOLQAIAGRFTM-NEPJUHHUSA-N 0 1 389.489 0.983 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CCn1ccnn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574522904 950801821 /nfs/dbraw/zinc/80/18/21/950801821.db2.gz LTLOLQAIAGRFTM-NEPJUHHUSA-N 0 1 389.489 0.983 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1ccnn1 ZINC001574522909 950802758 /nfs/dbraw/zinc/80/27/58/950802758.db2.gz LTLOLQAIAGRFTM-VXGBXAGGSA-N 0 1 389.489 0.983 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCn1ccnn1 ZINC001574522909 950802777 /nfs/dbraw/zinc/80/27/77/950802777.db2.gz LTLOLQAIAGRFTM-VXGBXAGGSA-N 0 1 389.489 0.983 20 0 GCADMN CC(C)CCCC(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574186310 950807828 /nfs/dbraw/zinc/80/78/28/950807828.db2.gz CMPJRRHUBRWBPC-UHFFFAOYSA-N 0 1 388.476 0.670 20 0 GCADMN CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)n[nH]1 ZINC001573885009 950812301 /nfs/dbraw/zinc/81/23/01/950812301.db2.gz LTZFOZQVOZJEFP-UHFFFAOYSA-N 0 1 384.448 0.568 20 0 GCADMN CC1(C)CC(CC(=O)NC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001575633760 950822480 /nfs/dbraw/zinc/82/24/80/950822480.db2.gz WMAVDHRZSJQGHY-ZDUSSCGKSA-N 0 1 386.460 0.804 20 0 GCADMN CC(C)(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)co1 ZINC001573885493 950825648 /nfs/dbraw/zinc/82/56/48/950825648.db2.gz SIBNWRZBHODNIO-JTQLQIEISA-N 0 1 386.416 0.172 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001575010816 950833820 /nfs/dbraw/zinc/83/38/20/950833820.db2.gz JFDJMEIFXYVESF-SMDDNHRTSA-N 0 1 388.476 0.644 20 0 GCADMN O=C([O-])CC1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCC1 ZINC001594970449 950839473 /nfs/dbraw/zinc/83/94/73/950839473.db2.gz CYJKGGOWICVXSW-UHFFFAOYSA-N 0 1 395.500 0.709 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ocnc1C(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767454 950852882 /nfs/dbraw/zinc/85/28/82/950852882.db2.gz OPPDDTQWHYTTAE-ZETCQYMHSA-N 0 1 379.331 0.577 20 0 GCADMN C[C@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576221584 950857827 /nfs/dbraw/zinc/85/78/27/950857827.db2.gz VRQHXMHKLICKLO-VHSXEESVSA-N 0 1 378.387 0.773 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576221587 950860005 /nfs/dbraw/zinc/86/00/05/950860005.db2.gz VRQHXMHKLICKLO-ZJUUUORDSA-N 0 1 378.387 0.773 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576221566 950860826 /nfs/dbraw/zinc/86/08/26/950860826.db2.gz VNWABQJFADYZDN-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CNC(=O)C1CC1 ZINC001574524891 950875763 /nfs/dbraw/zinc/87/57/63/950875763.db2.gz ZZSYKKUXUBPTSD-WDEREUQCSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CNC(=O)C1CC1 ZINC001574524891 950875775 /nfs/dbraw/zinc/87/57/75/950875775.db2.gz ZZSYKKUXUBPTSD-WDEREUQCSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576226013 950878723 /nfs/dbraw/zinc/87/87/23/950878723.db2.gz AJTGBBJDYHFQCB-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576226013 950878748 /nfs/dbraw/zinc/87/87/48/950878748.db2.gz AJTGBBJDYHFQCB-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H](CN(C)C(=O)c1coc(C2CCC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768027 950879121 /nfs/dbraw/zinc/87/91/21/950879121.db2.gz WVJCOHSZPIPTSG-SNVBAGLBSA-N 0 1 383.416 0.907 20 0 GCADMN CCOC(=O)C1CCN(C(=O)C[N@@H+](C)CC2(O)CCC(C(=O)[O-])CC2)CC1 ZINC001590207659 950880069 /nfs/dbraw/zinc/88/00/69/950880069.db2.gz AZBMQHVONKYQDS-UHFFFAOYSA-N 0 1 384.473 0.726 20 0 GCADMN CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001590209598 950897168 /nfs/dbraw/zinc/89/71/68/950897168.db2.gz XNABVKKKLFHRKN-RQMAVPSVSA-N 0 1 382.457 0.790 20 0 GCADMN CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001590209598 950897180 /nfs/dbraw/zinc/89/71/80/950897180.db2.gz XNABVKKKLFHRKN-RQMAVPSVSA-N 0 1 382.457 0.790 20 0 GCADMN CC1(C)C[C@H](NC(=O)c2cnn[nH]2)CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575640811 950899402 /nfs/dbraw/zinc/89/94/02/950899402.db2.gz KRIAYLWPTNYVDI-LLVKDONJSA-N 0 1 382.432 0.805 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576227523 950914498 /nfs/dbraw/zinc/91/44/98/950914498.db2.gz DNIHJBDGKCXNMQ-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576227523 950914511 /nfs/dbraw/zinc/91/45/11/950914511.db2.gz DNIHJBDGKCXNMQ-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001573893934 950914985 /nfs/dbraw/zinc/91/49/85/950914985.db2.gz CTGSXKZRFUSPAY-LLVKDONJSA-N 0 1 382.432 0.357 20 0 GCADMN CC1(C)C[C@H](NC(=O)[C@]23C[C@H]2COC3)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575641347 950915118 /nfs/dbraw/zinc/91/51/18/950915118.db2.gz OFHVDYOOEWKDES-QUJCMNEKSA-N 0 1 398.471 0.804 20 0 GCADMN C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575936631 950920609 /nfs/dbraw/zinc/92/06/09/950920609.db2.gz GWAKSUOULDPGQY-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575936631 950920622 /nfs/dbraw/zinc/92/06/22/950920622.db2.gz GWAKSUOULDPGQY-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C)n1cc(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001573894692 950931589 /nfs/dbraw/zinc/93/15/89/950931589.db2.gz YJDIGYBILKYAQY-PHIMTYICSA-N 0 1 382.432 0.403 20 0 GCADMN CC(C)(CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573895409 950936303 /nfs/dbraw/zinc/93/63/03/950936303.db2.gz AFNRKLBNECGYNH-VIFPVBQESA-N 0 1 387.366 0.551 20 0 GCADMN C[C@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576228139 950936746 /nfs/dbraw/zinc/93/67/46/950936746.db2.gz JFZFVGHBLYIQCE-LRDDRELGSA-N 0 1 390.451 0.752 20 0 GCADMN C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575937286 950939669 /nfs/dbraw/zinc/93/96/69/950939669.db2.gz JWRKWBLRDNZBOJ-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575937286 950939684 /nfs/dbraw/zinc/93/96/84/950939684.db2.gz JWRKWBLRDNZBOJ-GXTWGEPZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576228357 950940218 /nfs/dbraw/zinc/94/02/18/950940218.db2.gz HOYPUZVLNCDMHL-OCCSQVGLSA-N 0 1 389.435 0.851 20 0 GCADMN CC(C)(CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)CC(F)F ZINC001573896618 950948980 /nfs/dbraw/zinc/94/89/80/950948980.db2.gz IQQHLYLGJBJLKY-JTQLQIEISA-N 0 1 383.403 0.644 20 0 GCADMN CC1(C)C[C@@H](NC(=O)c2ccn[nH]2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643115 950959982 /nfs/dbraw/zinc/95/99/82/950959982.db2.gz YBJFTFPUBPYLHZ-NSHDSACASA-N 0 1 382.432 0.805 20 0 GCADMN C[C@@H]1C[C@@H](C(=O)N(C)C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001575938013 950964611 /nfs/dbraw/zinc/96/46/11/950964611.db2.gz IIFDIMCPVYMSKI-OLZOCXBDSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1ncnn1CCF ZINC001574530051 950968691 /nfs/dbraw/zinc/96/86/91/950968691.db2.gz SQGZWRQTHAYZPV-QWRGUYRKSA-N 0 1 390.427 0.443 20 0 GCADMN C[C@H](C[C@@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1ncnn1CCF ZINC001574530049 950970335 /nfs/dbraw/zinc/97/03/35/950970335.db2.gz SQGZWRQTHAYZPV-GHMZBOCLSA-N 0 1 390.427 0.443 20 0 GCADMN C[C@@H](C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1nnnn1C1CC1 ZINC001574530603 950988838 /nfs/dbraw/zinc/98/88/38/950988838.db2.gz CMMZOTBRKWNLRU-UWVGGRQHSA-N 0 1 385.436 0.203 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575017470 950996080 /nfs/dbraw/zinc/99/60/80/950996080.db2.gz GRMPSJFUTQLNPD-YFKPBYRVSA-N 0 1 381.809 0.703 20 0 GCADMN CC(C)(CC(F)(F)F)C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001573900215 950997644 /nfs/dbraw/zinc/99/76/44/950997644.db2.gz VXJSBLQBAQUJGX-SECBINFHSA-N 0 1 387.366 0.551 20 0 GCADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1COCCO1 ZINC001574774451 951000419 /nfs/dbraw/zinc/00/04/19/951000419.db2.gz CQNQNKKJVRZZCE-XHDPSFHLSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CN1CCCC1=O ZINC001574774049 951003964 /nfs/dbraw/zinc/00/39/64/951003964.db2.gz BNHNJAWTMUCHRS-LBPRGKRZSA-N 0 1 389.435 0.565 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575017668 951008031 /nfs/dbraw/zinc/00/80/31/951008031.db2.gz IPKIIOPGGWKMMS-JTQLQIEISA-N 0 1 381.400 0.010 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1cnccc1N(C)C ZINC001575018430 951022451 /nfs/dbraw/zinc/02/24/51/951022451.db2.gz QCJQJEXLEGDSAK-JTQLQIEISA-N 0 1 383.416 0.204 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575023280 951076323 /nfs/dbraw/zinc/07/63/23/951076323.db2.gz MBNUEVBXCCESBG-LLVKDONJSA-N 0 1 379.428 0.829 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024714 951112234 /nfs/dbraw/zinc/11/22/34/951112234.db2.gz LCKHECUDPWNFOJ-NSHDSACASA-N 0 1 380.412 0.587 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccncc1-c1nn[nH]n1 ZINC001575024803 951115320 /nfs/dbraw/zinc/11/53/20/951115320.db2.gz MZYHVOSLDDOJKR-GFCCVEGCSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(N(C)C)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024975 951120108 /nfs/dbraw/zinc/12/01/08/951120108.db2.gz QXBUAOVUBOXLDI-JTQLQIEISA-N 0 1 385.407 0.514 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1OCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575026960 951150695 /nfs/dbraw/zinc/15/06/95/951150695.db2.gz BKVYPXRPSIPXRM-NSHDSACASA-N 0 1 380.412 0.846 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575028942 951179095 /nfs/dbraw/zinc/17/90/95/951179095.db2.gz PXFWYOFXGKPGTR-GFCCVEGCSA-N 0 1 379.424 0.987 20 0 GCADMN C[C@H](CNC(=O)c1cccc(=O)n1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575029004 951180012 /nfs/dbraw/zinc/18/00/12/951180012.db2.gz YESWHAYISDQVCZ-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CNC(=O)c1cccc(=O)n1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575029004 951180018 /nfs/dbraw/zinc/18/00/18/951180018.db2.gz YESWHAYISDQVCZ-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1OCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575029403 951187223 /nfs/dbraw/zinc/18/72/23/951187223.db2.gz USRKJCTYEJEOGL-LLVKDONJSA-N 0 1 380.412 0.492 20 0 GCADMN C[C@H](CNC(=O)c1cccn2ccnc12)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575031594 951199050 /nfs/dbraw/zinc/19/90/50/951199050.db2.gz FAYFHHHOIQIMLF-LLVKDONJSA-N 0 1 378.400 0.559 20 0 GCADMN C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575031953 951210255 /nfs/dbraw/zinc/21/02/55/951210255.db2.gz MVRRGFUIWLIILS-LLVKDONJSA-N 0 1 382.432 0.018 20 0 GCADMN C[C@H](CNC(=O)c1ccnn1CC(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575034438 951247486 /nfs/dbraw/zinc/24/74/86/951247486.db2.gz NCTWJFYFGXUPRW-SECBINFHSA-N 0 1 392.374 0.373 20 0 GCADMN C[C@@H](CNC(=O)c1ccnc(C2CC2)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575035103 951267747 /nfs/dbraw/zinc/26/77/47/951267747.db2.gz GGNQJVKBFKDKLR-LLVKDONJSA-N 0 1 379.428 0.829 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575035782 951283275 /nfs/dbraw/zinc/28/32/75/951283275.db2.gz LLIFBAIOQFIBOC-JTQLQIEISA-N 0 1 391.386 0.978 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575036009 951288790 /nfs/dbraw/zinc/28/87/90/951288790.db2.gz OMZRZXVKTMPPON-NSHDSACASA-N 0 1 384.448 0.508 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C)n1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575036639 951296889 /nfs/dbraw/zinc/29/68/89/951296889.db2.gz UTAIQNVMMMDRBD-ZETCQYMHSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575036666 951297223 /nfs/dbraw/zinc/29/72/23/951297223.db2.gz VMBNBOCFSIAECQ-LLVKDONJSA-N 0 1 382.432 0.018 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575036890 951301352 /nfs/dbraw/zinc/30/13/52/951301352.db2.gz YKKVNXSFTHBUAH-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575036890 951301364 /nfs/dbraw/zinc/30/13/64/951301364.db2.gz YKKVNXSFTHBUAH-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)C1=NC(=O)N(C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575042754 951371230 /nfs/dbraw/zinc/37/12/30/951371230.db2.gz MVVBNHQUOKUYBS-ZETCQYMHSA-N 0 1 377.796 0.585 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575042797 951375067 /nfs/dbraw/zinc/37/50/67/951375067.db2.gz CBWSNQQCRYPSCV-JTQLQIEISA-N 0 1 387.473 0.692 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575042797 951375083 /nfs/dbraw/zinc/37/50/83/951375083.db2.gz CBWSNQQCRYPSCV-JTQLQIEISA-N 0 1 387.473 0.692 20 0 GCADMN C[C@H](CNC(=O)c1cnc(C2CC2)s1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575042989 951376488 /nfs/dbraw/zinc/37/64/88/951376488.db2.gz FDTUMARFLBSCBG-VIFPVBQESA-N 0 1 385.457 0.891 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043327 951386254 /nfs/dbraw/zinc/38/62/54/951386254.db2.gz QCRACEJJBOUQDB-QMMMGPOBSA-N 0 1 392.374 0.583 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043410 951391285 /nfs/dbraw/zinc/39/12/85/951391285.db2.gz INMSBCGSLHAISI-LLVKDONJSA-N 0 1 382.432 0.444 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043729 951403066 /nfs/dbraw/zinc/40/30/66/951403066.db2.gz MNRLQVSDJDPDQT-QMMMGPOBSA-N 0 1 376.812 0.298 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]nc1-c1ccco1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575045052 951423857 /nfs/dbraw/zinc/42/38/57/951423857.db2.gz ZJPILTMCKAFSCY-VIFPVBQESA-N 0 1 380.372 0.292 20 0 GCADMN CC(C)Oc1cncc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001575045780 951432800 /nfs/dbraw/zinc/43/28/00/951432800.db2.gz HPNONVAPDQTZOC-NSHDSACASA-N 0 1 383.416 0.491 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccncc1-c1nn[nH]n1 ZINC001575052821 951470588 /nfs/dbraw/zinc/47/05/88/951470588.db2.gz OQACYYJYIDIQDM-VIFPVBQESA-N 0 1 377.359 0.753 20 0 GCADMN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575056321 951519474 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ZINC001575091241 951771664 /nfs/dbraw/zinc/77/16/64/951771664.db2.gz QHIQPDQZMCWTFT-AAEUAGOBSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575091292 951773999 /nfs/dbraw/zinc/77/39/99/951773999.db2.gz QHIQPDQZMCWTFT-YPMHNXCESA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575091706 951782111 /nfs/dbraw/zinc/78/21/11/951782111.db2.gz WMRLPHFPIOGCOX-BZNIZROVSA-N 0 1 391.457 0.411 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575091706 951782116 /nfs/dbraw/zinc/78/21/16/951782116.db2.gz WMRLPHFPIOGCOX-BZNIZROVSA-N 0 1 391.457 0.411 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575091705 951782419 /nfs/dbraw/zinc/78/24/19/951782419.db2.gz WMRLPHFPIOGCOX-BDJLRTHQSA-N 0 1 391.457 0.411 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1COC(=O)N1)C1CC1 ZINC001575091705 951782426 /nfs/dbraw/zinc/78/24/26/951782426.db2.gz WMRLPHFPIOGCOX-BDJLRTHQSA-N 0 1 391.457 0.411 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575098411 951824260 /nfs/dbraw/zinc/82/42/60/951824260.db2.gz CMQOIFUPBPDUQL-DGCLKSJQSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575098411 951824270 /nfs/dbraw/zinc/82/42/70/951824270.db2.gz CMQOIFUPBPDUQL-DGCLKSJQSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098712 951825303 /nfs/dbraw/zinc/82/53/03/951825303.db2.gz FIBQNEVGZFXCIW-WDEREUQCSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098712 951825308 /nfs/dbraw/zinc/82/53/08/951825308.db2.gz FIBQNEVGZFXCIW-WDEREUQCSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575099301 951832323 /nfs/dbraw/zinc/83/23/23/951832323.db2.gz JRWJPXFRYGCJJM-MNOVXSKESA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCC(=O)NC1 ZINC001575099301 951832326 /nfs/dbraw/zinc/83/23/26/951832326.db2.gz JRWJPXFRYGCJJM-MNOVXSKESA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN1CCOCC1 ZINC001575099817 951839327 /nfs/dbraw/zinc/83/93/27/951839327.db2.gz OYGCZJKPUQIVDV-GFCCVEGCSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN1CCOCC1 ZINC001575099817 951839332 /nfs/dbraw/zinc/83/93/32/951839332.db2.gz OYGCZJKPUQIVDV-GFCCVEGCSA-N 0 1 379.490 0.197 20 0 GCADMN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099886 951839824 /nfs/dbraw/zinc/83/98/24/951839824.db2.gz PWHBFXMELLIKES-GHMZBOCLSA-N 0 1 378.458 0.723 20 0 GCADMN C[C@@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099886 951839831 /nfs/dbraw/zinc/83/98/31/951839831.db2.gz PWHBFXMELLIKES-GHMZBOCLSA-N 0 1 378.458 0.723 20 0 GCADMN C[C@@H](CNC(=O)c1cccn(C)c1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100091 951841512 /nfs/dbraw/zinc/84/15/12/951841512.db2.gz QPQFMELPCXGZKR-LLVKDONJSA-N 0 1 387.469 0.783 20 0 GCADMN C[C@@H](CNC(=O)c1cccn(C)c1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100091 951841525 /nfs/dbraw/zinc/84/15/25/951841525.db2.gz QPQFMELPCXGZKR-LLVKDONJSA-N 0 1 387.469 0.783 20 0 GCADMN C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100183 951843832 /nfs/dbraw/zinc/84/38/32/951843832.db2.gz RVQTYSVMVODSTI-GHMZBOCLSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100183 951843841 /nfs/dbraw/zinc/84/38/41/951843841.db2.gz RVQTYSVMVODSTI-GHMZBOCLSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100892 951849990 /nfs/dbraw/zinc/84/99/90/951849990.db2.gz WFQOTCJMEVWITN-NSHDSACASA-N 0 1 387.469 0.783 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100892 951849999 /nfs/dbraw/zinc/84/99/99/951849999.db2.gz WFQOTCJMEVWITN-NSHDSACASA-N 0 1 387.469 0.783 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575101025 951851757 /nfs/dbraw/zinc/85/17/57/951851757.db2.gz XRGBPCYWXBMNGT-NEPJUHHUSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCNC(=O)CC1 ZINC001575101025 951851764 /nfs/dbraw/zinc/85/17/64/951851764.db2.gz XRGBPCYWXBMNGT-NEPJUHHUSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101089 951853985 /nfs/dbraw/zinc/85/39/85/951853985.db2.gz ZGHKFEWPBPOSNA-RYUDHWBXSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCNC(=O)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101089 951853990 /nfs/dbraw/zinc/85/39/90/951853990.db2.gz ZGHKFEWPBPOSNA-RYUDHWBXSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101090 951854482 /nfs/dbraw/zinc/85/44/82/951854482.db2.gz ZGHKFEWPBPOSNA-VXGBXAGGSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCNC(=O)CC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101090 951854487 /nfs/dbraw/zinc/85/44/87/951854487.db2.gz ZGHKFEWPBPOSNA-VXGBXAGGSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575101737 951864481 /nfs/dbraw/zinc/86/44/81/951864481.db2.gz JASQNBGQNPSBBG-PWSUYJOCSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575101737 951864490 /nfs/dbraw/zinc/86/44/90/951864490.db2.gz JASQNBGQNPSBBG-PWSUYJOCSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575102382 951869092 /nfs/dbraw/zinc/86/90/92/951869092.db2.gz MJPFNGHBGATJJH-QFYYESIMSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@]1(C)CCC(=O)N1 ZINC001575102382 951869098 /nfs/dbraw/zinc/86/90/98/951869098.db2.gz MJPFNGHBGATJJH-QFYYESIMSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575103362 951876494 /nfs/dbraw/zinc/87/64/94/951876494.db2.gz SQDFCSPURBVTJA-VIFPVBQESA-N 0 1 389.441 0.870 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575103362 951876498 /nfs/dbraw/zinc/87/64/98/951876498.db2.gz SQDFCSPURBVTJA-VIFPVBQESA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](CNCc1ncnn1C(C)(C)C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575116842 951975981 /nfs/dbraw/zinc/97/59/81/951975981.db2.gz JFRVJBWUEHUBGW-LLVKDONJSA-N 0 1 386.464 0.697 20 0 GCADMN C[C@H](CNCc1nc(C2CC2)nn1C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575118260 951983371 /nfs/dbraw/zinc/98/33/71/951983371.db2.gz RMTVCAUBRGJKJH-SNVBAGLBSA-N 0 1 384.448 0.356 20 0 GCADMN C[C@@H](CNCc1noc2c1COCC2)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575118180 951984500 /nfs/dbraw/zinc/98/45/00/951984500.db2.gz QQZYJAOUXSGODO-JTQLQIEISA-N 0 1 386.416 0.411 20 0 GCADMN C[C@H](CNCc1nn(C)cc1Cl)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118822 951986265 /nfs/dbraw/zinc/98/62/65/951986265.db2.gz TXOZLTSMQKQROP-SECBINFHSA-N 0 1 377.840 0.737 20 0 GCADMN C[C@H](CNCc1nc(C2CC2)nn1C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119246 951987147 /nfs/dbraw/zinc/98/71/47/951987147.db2.gz VTPLQYCHVUANHB-SNVBAGLBSA-N 0 1 384.448 0.356 20 0 GCADMN C[C@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)CCc1nc[nH]n1)C1CC1 ZINC001575121807 952000382 /nfs/dbraw/zinc/00/03/82/952000382.db2.gz HZTULOUZMKMBSM-QGZVFWFLSA-N 0 1 382.432 0.709 20 0 GCADMN O=C([O-])CS(=O)(=O)CC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC001595124702 952003547 /nfs/dbraw/zinc/00/35/47/952003547.db2.gz XCWFGIOBPSDTBM-LLVKDONJSA-N 0 1 384.223 0.711 20 0 GCADMN CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC2(C(=O)[O-])CCOCC2)CC1 ZINC001602889437 971794171 /nfs/dbraw/zinc/79/41/71/971794171.db2.gz UETWSRNAHMCSBF-UHFFFAOYSA-N 0 1 385.461 0.679 20 0 GCADMN C[C@H]1[C@H](NS(=O)(=O)c2cnn(CC(=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000382027361 971796361 /nfs/dbraw/zinc/79/63/61/971796361.db2.gz QVDPONSHNXNHRW-XJKSGUPXSA-N 0 1 378.454 0.909 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@@H]1CCCCO1)C1CC1 ZINC001575133290 952101831 /nfs/dbraw/zinc/10/18/31/952101831.db2.gz DIPCORZVTULUEG-SCLBCKFNSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C1CC(F)(F)C1)C1CC1 ZINC001575135767 952121335 /nfs/dbraw/zinc/12/13/35/952121335.db2.gz NNSNONOAZLDCAC-OAHLLOKOSA-N 0 1 378.387 0.821 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575137061 952134806 /nfs/dbraw/zinc/13/48/06/952134806.db2.gz SQVWATCNPGDRLX-GOSISDBHSA-N 0 1 386.460 0.592 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001575139752 952140129 /nfs/dbraw/zinc/14/01/29/952140129.db2.gz BNCROBXYJOCRMF-KGLIPLIRSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139752 952140138 /nfs/dbraw/zinc/14/01/38/952140138.db2.gz BNCROBXYJOCRMF-KGLIPLIRSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139752 952140143 /nfs/dbraw/zinc/14/01/43/952140143.db2.gz BNCROBXYJOCRMF-KGLIPLIRSA-N 0 1 387.492 0.600 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575139780 952140722 /nfs/dbraw/zinc/14/07/22/952140722.db2.gz CAZGCPBCHMPVLB-CHWSQXEVSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1(c2cccnc2)CC1 ZINC001575140733 952143714 /nfs/dbraw/zinc/14/37/14/952143714.db2.gz FULBYHCEVRDNHY-GFCCVEGCSA-N 0 1 379.428 0.464 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575141319 952143890 /nfs/dbraw/zinc/14/38/90/952143890.db2.gz GIWZZVRUTZJLNF-RISCZKNCSA-N 0 1 380.412 0.341 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575141326 952144094 /nfs/dbraw/zinc/14/40/94/952144094.db2.gz GOLJDCGBNITTRA-SNVBAGLBSA-N 0 1 390.839 0.278 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575142147 952146426 /nfs/dbraw/zinc/14/64/26/952146426.db2.gz JFYLENUVVJQEDF-GFCCVEGCSA-N 0 1 381.444 0.710 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1ccccn1 ZINC001575142804 952149178 /nfs/dbraw/zinc/14/91/78/952149178.db2.gz MAXVKMPSOBZRKO-ZDUSSCGKSA-N 0 1 381.444 0.755 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575142823 952149421 /nfs/dbraw/zinc/14/94/21/952149421.db2.gz MIBZCSRNVMVXKG-PUTJDCORSA-N 0 1 378.387 0.677 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575142807 952150132 /nfs/dbraw/zinc/15/01/32/952150132.db2.gz MCKJLRNVYFMWEN-AAEUAGOBSA-N 0 1 379.428 0.147 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@H]1C[C@@H]1C(F)F)C1CC1 ZINC001575142824 952150329 /nfs/dbraw/zinc/15/03/29/952150329.db2.gz MIBZCSRNVMVXKG-XQJJYNOISA-N 0 1 378.387 0.677 20 0 GCADMN CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC001602893085 971806852 /nfs/dbraw/zinc/80/68/52/971806852.db2.gz NMDWVCVBZWSMGL-AUUYWEPGSA-N 0 1 397.472 0.774 20 0 GCADMN O=C([O-])Cn1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1=O ZINC001595153970 952154134 /nfs/dbraw/zinc/15/41/34/952154134.db2.gz BSEBBJBBPDZRAM-WMZOPIPTSA-N 0 1 399.447 0.546 20 0 GCADMN CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC001602893090 971807096 /nfs/dbraw/zinc/80/70/96/971807096.db2.gz NMDWVCVBZWSMGL-LIRRHRJNSA-N 0 1 397.472 0.774 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C2CC2)n(C)n1 ZINC001575143695 952155611 /nfs/dbraw/zinc/15/56/11/952155611.db2.gz CCBRQGAGVANRRV-SNVBAGLBSA-N 0 1 382.432 0.262 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575143942 952159872 /nfs/dbraw/zinc/15/98/72/952159872.db2.gz DXZFIRKDNUFTKC-GOSISDBHSA-N 0 1 381.444 0.736 20 0 GCADMN C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575144414 952166618 /nfs/dbraw/zinc/16/66/18/952166618.db2.gz VJLHAVLOVGQRPW-GFCCVEGCSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575144414 952166623 /nfs/dbraw/zinc/16/66/23/952166623.db2.gz VJLHAVLOVGQRPW-GFCCVEGCSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575144414 952166629 /nfs/dbraw/zinc/16/66/29/952166629.db2.gz VJLHAVLOVGQRPW-GFCCVEGCSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc2n(n1)CCCC2 ZINC001575144757 952170261 /nfs/dbraw/zinc/17/02/61/952170261.db2.gz LCPHUWVJAPAFIK-NSHDSACASA-N 0 1 382.432 0.184 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(=O)[nH]n1)C1CC1 ZINC001575144702 952170704 /nfs/dbraw/zinc/17/07/04/952170704.db2.gz KPWLOQOEBIKVKU-QGZVFWFLSA-N 0 1 381.400 0.190 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575144870 952173841 /nfs/dbraw/zinc/17/38/41/952173841.db2.gz YSFCVICBBRIQRA-HNNXBMFYSA-N 0 1 382.375 0.057 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575144879 952173887 /nfs/dbraw/zinc/17/38/87/952173887.db2.gz MZRCDVHYOXWXLY-RDTXWAMCSA-N 0 1 384.444 0.049 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575144954 952175817 /nfs/dbraw/zinc/17/58/17/952175817.db2.gz ZOOBWPJMIUJFBD-YGRLFVJLSA-N 0 1 382.403 0.816 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccnc1C1CC1 ZINC001575145083 952177062 /nfs/dbraw/zinc/17/70/62/952177062.db2.gz PILMDYNJLFREKM-LLVKDONJSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575145111 952178127 /nfs/dbraw/zinc/17/81/27/952178127.db2.gz QGWKGEXEYYTLCB-JTQLQIEISA-N 0 1 384.448 0.672 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575145169 952179047 /nfs/dbraw/zinc/17/90/47/952179047.db2.gz RPWIYSNVLZSATR-MRVPVSSYSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1noc2c1CCCC2 ZINC001575145309 952181184 /nfs/dbraw/zinc/18/11/84/952181184.db2.gz VODVLYZVNOYVOF-JTQLQIEISA-N 0 1 383.416 0.518 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@H]1COC(=O)C1)C1CC1 ZINC001575145375 952182642 /nfs/dbraw/zinc/18/26/42/952182642.db2.gz WRHPMZCVYNZODJ-ADLMAVQZSA-N 0 1 385.428 0.334 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@@H]1COC(=O)C1)C1CC1 ZINC001575145377 952183795 /nfs/dbraw/zinc/18/37/95/952183795.db2.gz WRHPMZCVYNZODJ-VOJFVSQTSA-N 0 1 385.428 0.334 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575145471 952184236 /nfs/dbraw/zinc/18/42/36/952184236.db2.gz YERGBGZBQFJZOG-MRVPVSSYSA-N 0 1 386.445 0.380 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1n[nH]c2c1CCCC2 ZINC001575145754 952188236 /nfs/dbraw/zinc/18/82/36/952188236.db2.gz CHXLPCRLRSRMFC-LLVKDONJSA-N 0 1 381.444 0.858 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)COC[C@@H]1CCCO1 ZINC001575145827 952188881 /nfs/dbraw/zinc/18/88/81/952188881.db2.gz DEFGUEGWYZKGBE-OLZOCXBDSA-N 0 1 375.433 0.138 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(N)=O)s1 ZINC001575146012 952189709 /nfs/dbraw/zinc/18/97/09/952189709.db2.gz FUZVYLMSWBRJAG-SECBINFHSA-N 0 1 386.441 0.417 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cn1cc(Cl)cn1 ZINC001575145989 952189758 /nfs/dbraw/zinc/18/97/58/952189758.db2.gz FGWBNXOSVDYEBW-SNVBAGLBSA-N 0 1 375.824 0.493 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575146408 952193921 /nfs/dbraw/zinc/19/39/21/952193921.db2.gz KEHHUMORPQQTKG-SECBINFHSA-N 0 1 386.441 0.417 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575146862 952198218 /nfs/dbraw/zinc/19/82/18/952198218.db2.gz PGTBQSHXWUDRFI-SECBINFHSA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C)c1C(F)F ZINC001575147750 952200929 /nfs/dbraw/zinc/20/09/29/952200929.db2.gz VOGKFHOKYRVLSA-VIFPVBQESA-N 0 1 391.386 0.927 20 0 GCADMN O=C([O-])[C@@H]1CCCN1S(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC001595168978 952217345 /nfs/dbraw/zinc/21/73/45/952217345.db2.gz HORZJKPQEMPVMO-HNNXBMFYSA-N 0 1 389.518 0.653 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnnn1C ZINC001575164370 952292266 /nfs/dbraw/zinc/29/22/66/952292266.db2.gz DRBOAMSTLGEGIE-ZCFIWIBFSA-N 0 1 382.841 0.678 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1C[C@H]1C(N)=O ZINC001575164833 952300769 /nfs/dbraw/zinc/30/07/69/952300769.db2.gz ICFIRMLJSCMAOK-XVMARJQXSA-N 0 1 384.853 0.357 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165653 952311455 /nfs/dbraw/zinc/31/14/55/952311455.db2.gz QISKPXYYZWKKJN-ZCFIWIBFSA-N 0 1 382.841 0.678 20 0 GCADMN C[C@](CNc1ncccc1-c1nn[nH]n1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575166136 952319479 /nfs/dbraw/zinc/31/94/79/952319479.db2.gz YQPJGAMIXFGLND-QGZVFWFLSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H]1COCCO1 ZINC001575166264 952321732 /nfs/dbraw/zinc/32/17/32/952321732.db2.gz UGQJNNSLZZAECN-HTQZYQBOSA-N 0 1 387.853 0.651 20 0 GCADMN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575184918 952425426 /nfs/dbraw/zinc/42/54/26/952425426.db2.gz HGJHLJNIEYZTNS-UWVGGRQHSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575184918 952425429 /nfs/dbraw/zinc/42/54/29/952425429.db2.gz HGJHLJNIEYZTNS-UWVGGRQHSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1nc(Cl)c(-c2nn[nH]n2)s1 ZINC001575185651 952434150 /nfs/dbraw/zinc/43/41/50/952434150.db2.gz TWSAIGMHHNXIHD-RXMQYKEDSA-N 0 1 379.855 0.873 20 0 GCADMN C[C@@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001575191643 952468818 /nfs/dbraw/zinc/46/88/18/952468818.db2.gz YCFVOFMELXTZPV-STQMWFEESA-N 0 1 385.428 0.387 20 0 GCADMN O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1CCC(=O)N1 ZINC001571116826 952478595 /nfs/dbraw/zinc/47/85/95/952478595.db2.gz 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O=C(N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C1(CF)CCC1 ZINC001571118704 952489764 /nfs/dbraw/zinc/48/97/64/952489764.db2.gz YWGMEXNMFSSKIK-LBPRGKRZSA-N 0 1 375.408 0.463 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nc2)C1 ZINC001575199615 952489996 /nfs/dbraw/zinc/48/99/96/952489996.db2.gz DLVVNTKGCBWXHL-CHWSQXEVSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2F)C1 ZINC001575199988 952491672 /nfs/dbraw/zinc/49/16/72/952491672.db2.gz GLESLPOTIJTKEY-PWSUYJOCSA-N 0 1 385.407 0.698 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](CO)Nc1cccc(F)c1-c1nn[nH]n1 ZINC001575200360 952495219 /nfs/dbraw/zinc/49/52/19/952495219.db2.gz IVRHWCCGWYOPCG-CMPLNLGQSA-N 0 1 388.407 0.497 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001575200410 952495500 /nfs/dbraw/zinc/49/55/00/952495500.db2.gz JDAQPPKPGHDGMZ-NWDGAFQWSA-N 0 1 382.432 0.344 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NCCN(c1ccc(-c2nn[nH]n2)cn1)C1CC1 ZINC001575200416 952495618 /nfs/dbraw/zinc/49/56/18/952495618.db2.gz JEXKKYWHSJBBCJ-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN CC(C)[C@@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)Nc1cnc(-c2nn[nH]n2)cn1 ZINC001575200460 952495738 /nfs/dbraw/zinc/49/57/38/952495738.db2.gz JSOQNAHUDIXKBE-DGCLKSJQSA-N 0 1 384.448 0.811 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](N(C)c2cnc(-c3nn[nH]n3)cn2)C1 ZINC001575200581 952496474 /nfs/dbraw/zinc/49/64/74/952496474.db2.gz CKYHBIOWOLURFG-DGCLKSJQSA-N 0 1 382.432 0.296 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[nH]n2)nn1 ZINC001575200617 952497020 /nfs/dbraw/zinc/49/70/20/952497020.db2.gz DJYVHUGBUOVESU-WXHSDQCUSA-N 0 1 380.416 0.048 20 0 GCADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C(F)F)c1 ZINC001571120059 952498502 /nfs/dbraw/zinc/49/85/02/952498502.db2.gz HMYVKQNLTDGPCX-VIFPVBQESA-N 0 1 376.331 0.257 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](Nc1ccc(-c2nn[nH]n2)nn1)C1CC1 ZINC001575201227 952502810 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OKHQHCPSWQWYNP-LLVKDONJSA-N 0 1 385.432 0.327 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001575202563 952514069 /nfs/dbraw/zinc/51/40/69/952514069.db2.gz PRCLSVHPFHFYNI-YPMHNXCESA-N 0 1 382.432 0.296 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H]2C[C@H]1CN2c1ncccc1-c1nn[nH]n1 ZINC001575202552 952514950 /nfs/dbraw/zinc/51/49/50/952514950.db2.gz PKZYZPCWTPGYIZ-UBHSHLNASA-N 0 1 379.428 0.653 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001575202560 952515080 /nfs/dbraw/zinc/51/50/80/952515080.db2.gz PRCLSVHPFHFYNI-AAEUAGOBSA-N 0 1 382.432 0.296 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NC1CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001575202785 952515850 /nfs/dbraw/zinc/51/58/50/952515850.db2.gz YGNMSLVQNSKZOJ-LLVKDONJSA-N 0 1 382.432 0.344 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001575202751 952516163 /nfs/dbraw/zinc/51/61/63/952516163.db2.gz XUMLPLRUMJXKFE-OLZOCXBDSA-N 0 1 381.444 0.806 20 0 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IFUMWHOIYCUTGJ-MNOVXSKESA-N 0 1 378.387 0.963 20 0 GCADMN O=C(NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCC(F)(F)C1 ZINC001571130046 952578947 /nfs/dbraw/zinc/57/89/47/952578947.db2.gz NUPGZMGCBSEJKT-YVNMAJEFSA-N 0 1 378.387 0.821 20 0 GCADMN CCOC(=O)[C@](C)(CNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)CC(C)C ZINC001571134742 952595125 /nfs/dbraw/zinc/59/51/25/952595125.db2.gz KVBLRJZFOAMNPP-ZBEGNZNMSA-N 0 1 378.437 0.751 20 0 GCADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cncnc1C1CC1 ZINC001571136620 952615034 /nfs/dbraw/zinc/61/50/34/952615034.db2.gz SYRPDJXIINDEFD-LLVKDONJSA-N 0 1 378.400 0.333 20 0 GCADMN O=C(N[C@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)c1ccc(=O)[nH]c1 ZINC001571141667 952635392 /nfs/dbraw/zinc/63/53/92/952635392.db2.gz YIWZPGNKVTYCFS-WOPDTQHZSA-N 0 1 379.384 0.297 20 0 GCADMN O=C(N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1)c1cnccn1 ZINC001571146105 952648276 /nfs/dbraw/zinc/64/82/76/952648276.db2.gz CQFLUBBNXCPNOA-JOCQHMNTSA-N 0 1 379.428 0.874 20 0 GCADMN O=C(c1cc2n(n1)CCCC2)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571146687 952651684 /nfs/dbraw/zinc/65/16/84/952651684.db2.gz LLVRIOBLZJEBJR-LBPRGKRZSA-N 0 1 379.428 0.543 20 0 GCADMN Cn1cc([C@@H]2C[C@H]2C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571146723 952652525 /nfs/dbraw/zinc/65/25/25/952652525.db2.gz LWLMMUMFIIXLAZ-HZSPNIEDSA-N 0 1 379.428 0.234 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2cncnc2)C1 ZINC001571146973 952655747 /nfs/dbraw/zinc/65/57/47/952655747.db2.gz FGPOAESGFRCHML-QWHCGFSZSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001571147194 952658821 /nfs/dbraw/zinc/65/88/21/952658821.db2.gz ISPARCWXWYVXIB-GXTWGEPZSA-N 0 1 379.428 0.680 20 0 GCADMN C[C@@H](C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001571147403 952660719 /nfs/dbraw/zinc/66/07/19/952660719.db2.gz MALUFDISEZEXFQ-LKSINWNRSA-N 0 1 379.428 0.584 20 0 GCADMN C[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571147379 952660789 /nfs/dbraw/zinc/66/07/89/952660789.db2.gz LLQMPAVFAYJTRJ-CHWSQXEVSA-N 0 1 379.428 0.684 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001571147511 952662916 /nfs/dbraw/zinc/66/29/16/952662916.db2.gz MOGBHVPDQOBIKB-ZDUSSCGKSA-N 0 1 379.428 0.464 20 0 GCADMN CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)[C@H]1CCN(c2ncccc2-c2nn[nH]n2)C1 ZINC001571147589 952663769 /nfs/dbraw/zinc/66/37/69/952663769.db2.gz ONSVHSWOKMXVJW-IACUBPJLSA-N 0 1 379.428 0.826 20 0 GCADMN CCn1cc(CC(=O)N[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)cn1 ZINC001571147853 952664644 /nfs/dbraw/zinc/66/46/44/952664644.db2.gz REXGUPVKBRKLQJ-HALDLXJZSA-N 0 1 379.428 0.272 20 0 GCADMN C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001571148040 952665781 /nfs/dbraw/zinc/66/57/81/952665781.db2.gz UAABTLSHUBPNBB-MCIONIFRSA-N 0 1 379.428 0.899 20 0 GCADMN Cc1cc(C(=O)N2CCN(c3nc(Cl)c(-c4nn[nH]n4)s3)CC2)n[nH]1 ZINC001571152236 952682010 /nfs/dbraw/zinc/68/20/10/952682010.db2.gz 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Cc1cnc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)cc1C ZINC001571156791 952704882 /nfs/dbraw/zinc/70/48/82/952704882.db2.gz JOAQIIFOBTZYOD-CYBMUJFWSA-N 0 1 379.428 0.807 20 0 GCADMN Cc1ccc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2O)cn1 ZINC001571157864 952708142 /nfs/dbraw/zinc/70/81/42/952708142.db2.gz BANIMENQEQBSSK-ZBFHGGJFSA-N 0 1 380.412 0.253 20 0 GCADMN COc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)cc1 ZINC001571158517 952712534 /nfs/dbraw/zinc/71/25/34/952712534.db2.gz KGCMMCRFPXMCFP-RISCZKNCSA-N 0 1 380.412 0.802 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)c3ccn(C)c(=O)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158960 952715706 /nfs/dbraw/zinc/71/57/06/952715706.db2.gz OBEJPUCKGABCMU-ZDUSSCGKSA-N 0 1 380.412 0.278 20 0 GCADMN COc1cccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)c1 ZINC001571159361 952718066 /nfs/dbraw/zinc/71/80/66/952718066.db2.gz VLUIMOBTHDXTIT-AAEUAGOBSA-N 0 1 380.412 0.802 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2O)ccn1 ZINC001571159347 952718915 /nfs/dbraw/zinc/71/89/15/952718915.db2.gz UXIDLRZQZUGFLM-ZBFHGGJFSA-N 0 1 380.412 0.253 20 0 GCADMN Cc1ccnc(C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571159766 952721627 /nfs/dbraw/zinc/72/16/27/952721627.db2.gz WJMJZHHAAPCBMZ-JOCQHMNTSA-N 0 1 379.428 0.711 20 0 GCADMN Cc1n[nH]cc1C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C1 ZINC001571160272 952725476 /nfs/dbraw/zinc/72/54/76/952725476.db2.gz XRKCCIVEGHWQIS-BETUJISGSA-N 0 1 379.428 0.810 20 0 GCADMN Cc1nc[nH]c(=O)c1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571160751 952727729 /nfs/dbraw/zinc/72/77/29/952727729.db2.gz LKYSAISZPLEFSE-UHFFFAOYSA-N 0 1 380.412 0.533 20 0 GCADMN O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccccc1O ZINC001571161051 952729533 /nfs/dbraw/zinc/72/95/33/952729533.db2.gz PPCDKTPAZDNUQO-NWDGAFQWSA-N 0 1 380.412 0.795 20 0 GCADMN O=C(c1ccccc1)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571161213 952730433 /nfs/dbraw/zinc/73/04/33/952730433.db2.gz RFGWXPKGOUVQLY-CQSZACIVSA-N 0 1 380.412 0.422 20 0 GCADMN O=C(Cc1ccco1)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571161190 952730445 /nfs/dbraw/zinc/73/04/45/952730445.db2.gz QNBSVGGQVJQSOS-CYBMUJFWSA-N 0 1 380.412 0.968 20 0 GCADMN O=C(Cc1cc(C2CC2)no1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571161391 952731888 /nfs/dbraw/zinc/73/18/88/952731888.db2.gz UOBWGQCRHOVNRJ-GFCCVEGCSA-N 0 1 380.412 0.805 20 0 GCADMN Cc1cc(N2CCC[C@H](NC(=O)c3nccnc3N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162036 952737039 /nfs/dbraw/zinc/73/70/39/952737039.db2.gz ILBSVOMWCIHZHN-NSHDSACASA-N 0 1 380.416 0.341 20 0 GCADMN Cc1cc(C(=O)N2CC[C@@H]([C@@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)cnn1 ZINC001571162244 952741227 /nfs/dbraw/zinc/74/12/27/952741227.db2.gz OMDHFGUOQRACBT-VXGBXAGGSA-N 0 1 380.416 0.140 20 0 GCADMN O=C(NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1)c1ncccn1 ZINC001571164955 952745881 /nfs/dbraw/zinc/74/58/81/952745881.db2.gz ADQRFSILTAYCKZ-LBPRGKRZSA-N 0 1 380.416 0.626 20 0 GCADMN O=C(Cc1ccn[nH]1)N1CC[C@@]2(CCN(c3ccc(-c4nn[nH]n4)nn3)C2)C1 ZINC001571165024 952746848 /nfs/dbraw/zinc/74/68/48/952746848.db2.gz BAOABAGVNNUSLF-QGZVFWFLSA-N 0 1 380.416 0.051 20 0 GCADMN Cc1ncc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)n1C ZINC001571165111 952747710 /nfs/dbraw/zinc/74/77/10/952747710.db2.gz CCGVSQIZZNYOKT-TXEJJXNPSA-N 0 1 380.416 0.192 20 0 GCADMN Cn1nccc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571165217 952748820 /nfs/dbraw/zinc/74/88/20/952748820.db2.gz GHWXVYZEXDVOTP-YOGCLGLASA-N 0 1 380.416 0.320 20 0 GCADMN Cc1nccc(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571165460 952751244 /nfs/dbraw/zinc/75/12/44/952751244.db2.gz HGICQBZYHJDBTQ-LBPRGKRZSA-N 0 1 380.416 0.141 20 0 GCADMN O=C([C@H]1[C@@H]2COC[C@@H]21)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571165868 952755749 /nfs/dbraw/zinc/75/57/49/952755749.db2.gz IBNYIXBGZJPQRK-MEWRGDBZSA-N 0 1 380.452 0.934 20 0 GCADMN CC(C)c1ocnc1C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571169984 952781983 /nfs/dbraw/zinc/78/19/83/952781983.db2.gz BKYHPFRQPBKRFG-IAZYJMLFSA-N 0 1 381.400 0.633 20 0 GCADMN C[C@H]1CN(C(=O)c2cn[nH]c(=O)c2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571170136 952783648 /nfs/dbraw/zinc/78/36/48/952783648.db2.gz DNEMXBSZKRGWMW-GWCFXTLKSA-N 0 1 381.400 0.142 20 0 GCADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1coc(C2CC2)n1 ZINC001571170417 952785464 /nfs/dbraw/zinc/78/54/64/952785464.db2.gz JCLPNMMMQKZCIS-ONGXEEELSA-N 0 1 381.400 0.659 20 0 GCADMN O=C(NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1cncc(F)c1 ZINC001571171898 952799033 /nfs/dbraw/zinc/79/90/33/952799033.db2.gz ZCENSBILCVZOEC-XYYAHUGASA-N 0 1 381.375 0.303 20 0 GCADMN CO[C@@H](C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172239 952803867 /nfs/dbraw/zinc/80/38/67/952803867.db2.gz QKZFDSLAUVMVHU-RYUDHWBXSA-N 0 1 380.474 0.670 20 0 GCADMN CO[C@@H](C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172239 952803874 /nfs/dbraw/zinc/80/38/74/952803874.db2.gz QKZFDSLAUVMVHU-RYUDHWBXSA-N 0 1 380.474 0.670 20 0 GCADMN COc1cc(C(=O)N2CC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)ncn1 ZINC001571174594 952812046 /nfs/dbraw/zinc/81/20/46/952812046.db2.gz BHLOKIQVVMHFRL-LLVKDONJSA-N 0 1 381.400 0.056 20 0 GCADMN Cc1cc(N[C@@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174683 952812300 /nfs/dbraw/zinc/81/23/00/952812300.db2.gz FCFGAJAOKHEAQZ-LLVKDONJSA-N 0 1 381.400 0.204 20 0 GCADMN COc1cnc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nc1 ZINC001571174731 952812333 /nfs/dbraw/zinc/81/23/33/952812333.db2.gz GOQANQFDECBLBH-WDEREUQCSA-N 0 1 381.400 0.197 20 0 GCADMN COc1cc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1 ZINC001571174716 952813158 /nfs/dbraw/zinc/81/31/58/952813158.db2.gz GASNMADGXXLGSZ-GFCCVEGCSA-N 0 1 381.400 0.411 20 0 GCADMN COc1ncccc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571174784 952813642 /nfs/dbraw/zinc/81/36/42/952813642.db2.gz IBPVDRABIWFNGB-NSHDSACASA-N 0 1 381.400 0.411 20 0 GCADMN COc1cc(C)cnc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571174935 952816647 /nfs/dbraw/zinc/81/66/47/952816647.db2.gz NKUWOGAYXBUKSE-LLVKDONJSA-N 0 1 381.400 0.117 20 0 GCADMN Cc1nc(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)co1 ZINC001571175669 952823732 /nfs/dbraw/zinc/82/37/32/952823732.db2.gz DQKDTSPTMLIOJO-KRWDZBQOSA-N 0 1 381.400 0.696 20 0 GCADMN NC(=O)c1ccc(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)[nH]1 ZINC001571176828 952834400 /nfs/dbraw/zinc/83/44/00/952834400.db2.gz YMHKRUOTUZREFS-UHFFFAOYSA-N 0 1 381.400 0.088 20 0 GCADMN O=C(NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ncoc1C1CC1 ZINC001571176680 952835147 /nfs/dbraw/zinc/83/51/47/952835147.db2.gz XDPWXAQLIWIVKU-HOMQSWHASA-N 0 1 381.400 0.565 20 0 GCADMN Cc1c[nH]cc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571179920 952856723 /nfs/dbraw/zinc/85/67/23/952856723.db2.gz KFPZGSRDPXIGHE-SJORKVTESA-N 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ZINC001571185312 952900969 /nfs/dbraw/zinc/90/09/69/952900969.db2.gz KOBXAVOWARHHDF-JSGCOSHPSA-N 0 1 381.444 0.863 20 0 GCADMN CCn1ccnc1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571185310 952901053 /nfs/dbraw/zinc/90/10/53/952901053.db2.gz KOBXAVOWARHHDF-GXTWGEPZSA-N 0 1 381.444 0.863 20 0 GCADMN CCn1nc(C)c(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571185789 952903949 /nfs/dbraw/zinc/90/39/49/952903949.db2.gz POEHVRZJWKEDTK-HNNXBMFYSA-N 0 1 381.444 0.791 20 0 GCADMN CCn1nc(C)c(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)n1 ZINC001571185791 952904613 /nfs/dbraw/zinc/90/46/13/952904613.db2.gz POEHVRZJWKEDTK-OAHLLOKOSA-N 0 1 381.444 0.791 20 0 GCADMN CN(CC1CCN(C(=O)c2ccn(C)c2)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571186344 952906796 /nfs/dbraw/zinc/90/67/96/952906796.db2.gz XBHYUMFLBUYGKH-UHFFFAOYSA-N 0 1 381.444 0.984 20 0 GCADMN CN(CC1CCN(C(=O)Cc2ccn[nH]2)CC1)c1ncccc1-c1nn[nH]n1 ZINC001571186672 952909261 /nfs/dbraw/zinc/90/92/61/952909261.db2.gz ZKUYHRZTEIXPCE-UHFFFAOYSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1cc(NC[C@@H]2CCCN(C(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188114 952911080 /nfs/dbraw/zinc/91/10/80/952911080.db2.gz FQHRBSJVNPQUMI-AWEZNQCLSA-N 0 1 381.444 0.539 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n(C)n1 ZINC001571188369 952913167 /nfs/dbraw/zinc/91/31/67/952913167.db2.gz JKGRKFNRFKMYOG-QWHCGFSZSA-N 0 1 381.444 0.879 20 0 GCADMN Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)Cc2cc[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188373 952913257 /nfs/dbraw/zinc/91/32/57/952913257.db2.gz JVZAXNFFSAIFLU-DOMZBBRYSA-N 0 1 381.444 0.655 20 0 GCADMN Cc1cnc(CNC[C@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@@H]2C)nc1 ZINC001571188339 952913326 /nfs/dbraw/zinc/91/33/26/952913326.db2.gz IXNHRJWXWWYDCE-JSGCOSHPSA-N 0 1 381.444 0.791 20 0 GCADMN Cn1cnc(C(=O)NC[C@@H]2CCCCN2Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571188459 952914869 /nfs/dbraw/zinc/91/48/69/952914869.db2.gz AZOHTOIXIAPOEJ-HNNXBMFYSA-N 0 1 381.444 0.780 20 0 GCADMN Cc1ccc(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)n1C ZINC001571188565 952917079 /nfs/dbraw/zinc/91/70/79/952917079.db2.gz LFKQFECHGNGPIH-CYBMUJFWSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1cc(N[C@H]2CCC[C@@H](NC(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188578 952917105 /nfs/dbraw/zinc/91/71/05/952917105.db2.gz LIJZVMXHENEQLR-UONOGXRCSA-N 0 1 381.444 0.728 20 0 GCADMN Cc1cc(NCC[C@@H]2CCN(C(=O)c3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188622 952917233 /nfs/dbraw/zinc/91/72/33/952917233.db2.gz MAWNIWLZHDDQMW-CYBMUJFWSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1ccn(C)c1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571188842 952920940 /nfs/dbraw/zinc/92/09/40/952920940.db2.gz NXPMFUOGIRUKDX-UHFFFAOYSA-N 0 1 381.444 0.832 20 0 GCADMN Cn1cncc1CC(=O)N[C@H]1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571188982 952922874 /nfs/dbraw/zinc/92/28/74/952922874.db2.gz LECBHLQERHGVON-DOMZBBRYSA-N 0 1 381.444 0.357 20 0 GCADMN Cc1ncc(C(=O)N[C@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571189357 952929442 /nfs/dbraw/zinc/92/94/42/952929442.db2.gz QFXIVXAOXIVWCL-STQMWFEESA-N 0 1 381.444 0.879 20 0 GCADMN Cc1ccnn1CC(=O)N[C@@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571189586 952931778 /nfs/dbraw/zinc/93/17/78/952931778.db2.gz XUPDFTGDMYQNKW-UONOGXRCSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1cc(NC[C@@H]2CCCN(C(=O)c3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189624 952931791 /nfs/dbraw/zinc/93/17/91/952931791.db2.gz ZAPAPIBVWXICDV-ZDUSSCGKSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1ccnn1CC(=O)N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571189585 952932676 /nfs/dbraw/zinc/93/26/76/952932676.db2.gz XUPDFTGDMYQNKW-KGLIPLIRSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1ncn(C)c1C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571189910 952937421 /nfs/dbraw/zinc/93/74/21/952937421.db2.gz ZBDMIZZGTMYRQK-SMDDNHRTSA-N 0 1 381.444 0.688 20 0 GCADMN Cc1cc(N2CCN(C(=O)c3ccc(C(N)=O)o3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571194012 952956114 /nfs/dbraw/zinc/95/61/14/952956114.db2.gz DXPVIJKHSMOBPZ-UHFFFAOYSA-N 0 1 382.384 0.224 20 0 GCADMN O=C(N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1(C(F)(F)F)CCC1 ZINC001571194143 952958362 /nfs/dbraw/zinc/95/83/62/952958362.db2.gz HEOBBUXBXPDJIY-VIFPVBQESA-N 0 1 382.350 0.824 20 0 GCADMN COC(=O)c1ccc2c(c1)N(C(=O)[C@@H](C)n1cnc(-c3nn[nH]n3)n1)CCC2 ZINC001571194108 952958462 /nfs/dbraw/zinc/95/84/62/952958462.db2.gz GLLWHYSBNBJJTA-SNVBAGLBSA-N 0 1 382.384 0.785 20 0 GCADMN COc1nn(C)cc1C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571198723 952992674 /nfs/dbraw/zinc/99/26/74/952992674.db2.gz DTQMFDBMIVYMFT-CQSZACIVSA-N 0 1 382.428 0.613 20 0 GCADMN CC[C@H]1CN(C(=O)Cc2ccco2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571199916 953004878 /nfs/dbraw/zinc/00/48/78/953004878.db2.gz CRMQOGNLFBNNDP-GXTWGEPZSA-N 0 1 382.428 0.953 20 0 GCADMN Cc1ccc(CC(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)o1 ZINC001571201195 953015875 /nfs/dbraw/zinc/01/58/75/953015875.db2.gz PMGCJCRJGONXKI-SJORKVTESA-N 0 1 382.424 0.672 20 0 GCADMN Cc1cc(NC[C@H]2CCN(C(=O)CCc3ccon3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202628 953027440 /nfs/dbraw/zinc/02/74/40/953027440.db2.gz WPEXXAOZONMYHB-CYBMUJFWSA-N 0 1 382.428 0.873 20 0 GCADMN C[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571204548 953030035 /nfs/dbraw/zinc/03/00/35/953030035.db2.gz ASPUCLWWAAFWDD-VXGBXAGGSA-N 0 1 382.432 0.022 20 0 GCADMN CCc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)[nH]n1 ZINC001571204609 953031739 /nfs/dbraw/zinc/03/17/39/953031739.db2.gz BMYUQNYWAIRHNQ-JQWIXIFHSA-N 0 1 382.432 0.730 20 0 GCADMN CC(C)n1cnc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571204879 953033695 /nfs/dbraw/zinc/03/36/95/953033695.db2.gz DPIQACVMEWAGTR-UHFFFAOYSA-N 0 1 382.432 0.477 20 0 GCADMN Cc1ncc(CC(=O)N2CCC[C@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571205081 953034337 /nfs/dbraw/zinc/03/43/37/953034337.db2.gz GGKYNFUEPBKCSX-CYBMUJFWSA-N 0 1 382.428 0.873 20 0 GCADMN CC(C)(C)c1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571205375 953036950 /nfs/dbraw/zinc/03/69/50/953036950.db2.gz IKZUWYSSKYJRSF-JTQLQIEISA-N 0 1 382.432 0.686 20 0 GCADMN CCc1c(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)cnn1C ZINC001571205423 953037965 /nfs/dbraw/zinc/03/79/65/953037965.db2.gz HZVPIIJSCVKAGX-NSHDSACASA-N 0 1 382.432 0.351 20 0 GCADMN CCCc1n[nH]cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205488 953039065 /nfs/dbraw/zinc/03/90/65/953039065.db2.gz JZNILLHJFODPIU-NSHDSACASA-N 0 1 382.432 0.328 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)Cn2cncn2)CCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571205672 953039830 /nfs/dbraw/zinc/03/98/30/953039830.db2.gz MVAQJKOMCHPCPL-UONOGXRCSA-N 0 1 382.432 0.335 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001571205657 953040076 /nfs/dbraw/zinc/04/00/76/953040076.db2.gz MOEGBGWBRVCVJS-RYUDHWBXSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001571205655 953040107 /nfs/dbraw/zinc/04/01/07/953040107.db2.gz MOEGBGWBRVCVJS-NEPJUHHUSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571206329 953050217 /nfs/dbraw/zinc/05/02/17/953050217.db2.gz TYQBGYGOIUDZDO-RYUDHWBXSA-N 0 1 382.432 0.662 20 0 GCADMN Cc1nc[nH]c1C(=O)N1CCC(CN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571206528 953052178 /nfs/dbraw/zinc/05/21/78/953052178.db2.gz HWKINNGURHBSEK-UHFFFAOYSA-N 0 1 382.432 0.677 20 0 GCADMN Cc1ncc(CC(=O)N2CC[C@@H]([C@@H](C)Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571206569 953053132 /nfs/dbraw/zinc/05/31/32/953053132.db2.gz RACDWFVDDONZLP-DGCLKSJQSA-N 0 1 382.428 0.872 20 0 GCADMN CCc1cc(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571206675 953053656 /nfs/dbraw/zinc/05/36/56/953053656.db2.gz WBNIXADYHPNEKW-PWSUYJOCSA-N 0 1 382.432 0.375 20 0 GCADMN CCn1nccc1C(=O)N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571206699 953054152 /nfs/dbraw/zinc/05/41/52/953054152.db2.gz JLNKWFIEGCEJJU-NWDGAFQWSA-N 0 1 382.432 0.306 20 0 GCADMN CCc1nn(C)cc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207009 953058109 /nfs/dbraw/zinc/05/81/09/953058109.db2.gz ZSNSIAXZWDUKGC-UHFFFAOYSA-N 0 1 382.432 0.090 20 0 GCADMN CCn1ccnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571207235 953060645 /nfs/dbraw/zinc/06/06/45/953060645.db2.gz OUHSBNZFIRMBSO-NWDGAFQWSA-N 0 1 382.432 0.660 20 0 GCADMN Cc1c(C(=O)N[C@H]2CC[C@@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)cnn1C ZINC001571207313 953061648 /nfs/dbraw/zinc/06/16/48/953061648.db2.gz QIPVPHOWJXNOCF-PWSUYJOCSA-N 0 1 382.432 0.486 20 0 GCADMN CCn1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)n1 ZINC001571207437 953064008 /nfs/dbraw/zinc/06/40/08/953064008.db2.gz RPDJDOXNAHMYPQ-NWDGAFQWSA-N 0 1 382.432 0.258 20 0 GCADMN CCn1nc(C)c(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571207606 953065421 /nfs/dbraw/zinc/06/54/21/953065421.db2.gz XUOZBLILNTWMGZ-GFCCVEGCSA-N 0 1 382.432 0.499 20 0 GCADMN O=C(CCc1c[nH]nn1)N1CCCC[C@H]1CNc1ccc(-c2nn[nH]n2)nc1 ZINC001571210839 953075305 /nfs/dbraw/zinc/07/53/05/953075305.db2.gz YCGKEHSUAIVUEL-AWEZNQCLSA-N 0 1 382.432 0.806 20 0 GCADMN Cc1cc(NC[C@H]2CCCN2C(=O)CCn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211408 953076435 /nfs/dbraw/zinc/07/64/35/953076435.db2.gz ABGGGDHOZKNOOO-CYBMUJFWSA-N 0 1 382.432 0.077 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@H]2CCC[C@H]2NC(=O)Cc2nnc[nH]2)n1 ZINC001571211703 953079285 /nfs/dbraw/zinc/07/92/85/953079285.db2.gz FYBVVTKFLWACAU-DGCLKSJQSA-N 0 1 382.432 0.628 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@@H]([C@@H](C)NC(=O)c3cnn[nH]3)C2)n1 ZINC001571211820 953082095 /nfs/dbraw/zinc/08/20/95/953082095.db2.gz GLMPHGLIRVFDGW-VXGBXAGGSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)n1 ZINC001571211912 953082770 /nfs/dbraw/zinc/08/27/70/953082770.db2.gz ILTSXBRSOAKJJV-GFCCVEGCSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CC[C@@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)n1 ZINC001571211912 953082776 /nfs/dbraw/zinc/08/27/76/953082776.db2.gz ILTSXBRSOAKJJV-GFCCVEGCSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1cc(N2CCC[C@H](CNC(=O)c3cnn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212205 953085121 /nfs/dbraw/zinc/08/51/21/953085121.db2.gz LIJVJQYOVXKNMT-GFCCVEGCSA-N 0 1 382.432 0.345 20 0 GCADMN Cc1cc(N2CCC[C@@H](CNC(=O)c3cnn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212306 953086764 /nfs/dbraw/zinc/08/67/64/953086764.db2.gz LIJVJQYOVXKNMT-LBPRGKRZSA-N 0 1 382.432 0.345 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)c3cnnn3C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212320 953087436 /nfs/dbraw/zinc/08/74/36/953087436.db2.gz LNJZQOYDUCVUQQ-NEPJUHHUSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)c(C)n2)[C@H](C)C1 ZINC001571212391 953088325 /nfs/dbraw/zinc/08/83/25/953088325.db2.gz NNVMDDVBKASWOZ-NOZJJQNGSA-N 0 1 382.432 0.959 20 0 GCADMN Cc1cc(NC2(C)CCN(C(=O)c3cn(C)nn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212822 953090598 /nfs/dbraw/zinc/09/05/98/953090598.db2.gz PKZDESLJAXZQDU-UHFFFAOYSA-N 0 1 382.432 0.227 20 0 GCADMN Cn1ccc(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571213083 953092541 /nfs/dbraw/zinc/09/25/41/953092541.db2.gz QOPXWQCMSMCLHT-GFCCVEGCSA-N 0 1 382.432 0.309 20 0 GCADMN Cc1nc(CC(=O)N[C@@H]2CC[C@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571213493 953095786 /nfs/dbraw/zinc/09/57/86/953095786.db2.gz VCTIKZDPXWNRLU-WCQYABFASA-N 0 1 382.432 0.628 20 0 GCADMN Cc1nc(CC(=O)N[C@H]2CCCN(c3nc(C)ccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571213882 953098318 /nfs/dbraw/zinc/09/83/18/953098318.db2.gz YCHYKFRDCYYRPZ-LBPRGKRZSA-N 0 1 382.432 0.324 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571219052 953122240 /nfs/dbraw/zinc/12/22/40/953122240.db2.gz TTWZPUMXLSVRGS-RKDXNWHRSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571219052 953122242 /nfs/dbraw/zinc/12/22/42/953122242.db2.gz TTWZPUMXLSVRGS-RKDXNWHRSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571219052 953122245 /nfs/dbraw/zinc/12/22/45/953122245.db2.gz TTWZPUMXLSVRGS-RKDXNWHRSA-N 0 1 382.881 0.623 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCN(c3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571219052 953122252 /nfs/dbraw/zinc/12/22/52/953122252.db2.gz TTWZPUMXLSVRGS-RKDXNWHRSA-N 0 1 382.881 0.623 20 0 GCADMN O=C(c1ccc(F)cn1)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571219978 953128068 /nfs/dbraw/zinc/12/80/68/953128068.db2.gz WAFGCDDNVMIKEJ-NSHDSACASA-N 0 1 383.391 0.577 20 0 GCADMN CO[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)Cc1cnoc1 ZINC001571220245 953129797 /nfs/dbraw/zinc/12/97/97/953129797.db2.gz ZRBCRANTDAMLCH-HZPDHXFCSA-N 0 1 383.412 0.413 20 0 GCADMN CCc1[nH]ccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1OC ZINC001571222090 953130777 /nfs/dbraw/zinc/13/07/77/953130777.db2.gz BXIBXDVIZCQZLN-CHWSQXEVSA-N 0 1 383.416 0.181 20 0 GCADMN CCc1nc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)co1 ZINC001571222061 953130794 /nfs/dbraw/zinc/13/07/94/953130794.db2.gz BCBRGAXVJSUDOG-GHMZBOCLSA-N 0 1 383.416 0.782 20 0 GCADMN O=C(Cc1ccoc1)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571222200 953132599 /nfs/dbraw/zinc/13/25/99/953132599.db2.gz FDJALVUJBRYUKP-CQSZACIVSA-N 0 1 383.412 0.549 20 0 GCADMN CC(C)c1nocc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222280 953133615 /nfs/dbraw/zinc/13/36/15/953133615.db2.gz FZKNRQZWRVLXTM-LLVKDONJSA-N 0 1 383.416 0.907 20 0 GCADMN CCc1nc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571222412 953134075 /nfs/dbraw/zinc/13/40/75/953134075.db2.gz HYGHJCAZYHIMAW-MWLCHTKSSA-N 0 1 383.416 0.510 20 0 GCADMN CCc1nc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)c(C)o1 ZINC001571222413 953134232 /nfs/dbraw/zinc/13/42/32/953134232.db2.gz HYGHJCAZYHIMAW-ONGXEEELSA-N 0 1 383.416 0.510 20 0 GCADMN COc1cncc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C)n1 ZINC001571222486 953134952 /nfs/dbraw/zinc/13/49/52/953134952.db2.gz GJZVKFOWPCKLDU-MFKMUULPSA-N 0 1 383.416 0.386 20 0 GCADMN COc1cncc(CN[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571222433 953134992 /nfs/dbraw/zinc/13/49/92/953134992.db2.gz FLOSXXIWMMETOR-NSHDSACASA-N 0 1 383.416 0.388 20 0 GCADMN COc1cc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nn1C ZINC001571222508 953135935 /nfs/dbraw/zinc/13/59/35/953135935.db2.gz HACTWBBKTIHVPK-WDEREUQCSA-N 0 1 383.416 0.141 20 0 GCADMN COc1cncc(CN[C@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571222699 953137837 /nfs/dbraw/zinc/13/78/37/953137837.db2.gz JMOWWCNSNYODFR-LBPRGKRZSA-N 0 1 383.416 0.388 20 0 GCADMN CCc1nc(C)c(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)o1 ZINC001571222726 953137931 /nfs/dbraw/zinc/13/79/31/953137931.db2.gz KGFHESVFCDWOTD-WDEREUQCSA-N 0 1 383.416 0.653 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571223905 953147521 /nfs/dbraw/zinc/14/75/21/953147521.db2.gz ZSFVQHCNZNNHOO-KOLCDFICSA-N 0 1 383.416 0.383 20 0 GCADMN CC[C@@H]1CN(C(=O)c2coc(C)n2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571224002 953148194 /nfs/dbraw/zinc/14/81/94/953148194.db2.gz WXRUGSAHSUXHCT-NEPJUHHUSA-N 0 1 383.416 0.728 20 0 GCADMN Cc1noc(C)c1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571225913 953154706 /nfs/dbraw/zinc/15/47/06/953154706.db2.gz OEWBKGIXXKKATK-SKDRFNHKSA-N 0 1 383.416 0.789 20 0 GCADMN Cc1cc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C)[nH]n1 ZINC001571226665 953156902 /nfs/dbraw/zinc/15/69/02/953156902.db2.gz VKGURUXSPSMMFJ-MFKMUULPSA-N 0 1 383.416 0.188 20 0 GCADMN Cc1ncoc1C(=O)N[C@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571226924 953157545 /nfs/dbraw/zinc/15/75/45/953157545.db2.gz XBEMKLZSQVTYGY-SNVBAGLBSA-N 0 1 383.416 0.988 20 0 GCADMN Cc1ncc(CC(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571226981 953157620 /nfs/dbraw/zinc/15/76/20/953157620.db2.gz YGJFXTBPOWYYJQ-RYUDHWBXSA-N 0 1 383.416 0.457 20 0 GCADMN Cc1noc(C)c1CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571227109 953158325 /nfs/dbraw/zinc/15/83/25/953158325.db2.gz YUZISEUGOZNZAQ-UHFFFAOYSA-N 0 1 383.416 0.543 20 0 GCADMN Cc1ocnc1C(=O)N[C@@H](C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571227801 953160195 /nfs/dbraw/zinc/16/01/95/953160195.db2.gz CIMAXOUOGPMWRI-JTQLQIEISA-N 0 1 383.416 0.988 20 0 GCADMN CCn1ncc(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571228567 953165369 /nfs/dbraw/zinc/16/53/69/953165369.db2.gz SAHHCJANPLZWES-NSHDSACASA-N 0 1 383.420 0.009 20 0 GCADMN CCn1nncc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571228542 953165521 /nfs/dbraw/zinc/16/55/21/953165521.db2.gz REJOKMDULFIIDO-LLVKDONJSA-N 0 1 383.420 0.057 20 0 GCADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H](CNCc2nc(C3CC3)no2)C1 ZINC001571228856 953167100 /nfs/dbraw/zinc/16/71/00/953167100.db2.gz WVHLTGQVKXVNKL-JTQLQIEISA-N 0 1 383.416 0.707 20 0 GCADMN Cn1c(C(=O)N[C@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c[nH]c1=O ZINC001571229037 953167800 /nfs/dbraw/zinc/16/78/00/953167800.db2.gz YTXPIPPKSOZXSI-QWRGUYRKSA-N 0 1 383.416 0.276 20 0 GCADMN O=C(c1nccs1)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571230504 953177633 /nfs/dbraw/zinc/17/76/33/953177633.db2.gz FNWSVWMQCHUBGR-MNOVXSKESA-N 0 1 383.441 0.712 20 0 GCADMN C[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCNC(=O)C1 ZINC001571230601 953178149 /nfs/dbraw/zinc/17/81/49/953178149.db2.gz GWNABNBPFPUKDK-DNVCBOLYSA-N 0 1 383.456 0.474 20 0 GCADMN CN(C)C(=O)[C@H]1CCCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571230962 953182078 /nfs/dbraw/zinc/18/20/78/953182078.db2.gz OIPISLUMRXDIRO-HOCLYGCPSA-N 0 1 383.456 0.772 20 0 GCADMN CN1C(=O)CCC[C@H]1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571231520 953184617 /nfs/dbraw/zinc/18/46/17/953184617.db2.gz ZGVSWVOBSJWYIP-INIZCTEOSA-N 0 1 383.456 0.426 20 0 GCADMN O=C(N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1cnsn1 ZINC001571231487 953184641 /nfs/dbraw/zinc/18/46/41/953184641.db2.gz YDPGWNGSNIJTML-QWHCGFSZSA-N 0 1 383.441 0.688 20 0 GCADMN CCN1C[C@@H](C(=O)NC[C@@H]2CCN2Cc2ccccc2-c2nn[nH]n2)CC1=O ZINC001571231473 953184651 /nfs/dbraw/zinc/18/46/51/953184651.db2.gz XOUDTSQYBUIGAE-GJZGRUSLSA-N 0 1 383.456 0.426 20 0 GCADMN CCN1C[C@H](C(=O)NC[C@H]2CCN2Cc2ccccc2-c2nn[nH]n2)CC1=O ZINC001571231474 953184970 /nfs/dbraw/zinc/18/49/70/953184970.db2.gz XOUDTSQYBUIGAE-HUUCEWRRSA-N 0 1 383.456 0.426 20 0 GCADMN Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H](C)[C@@H]2CCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571231977 953185478 /nfs/dbraw/zinc/18/54/78/953185478.db2.gz AHSAXGGBPSZLFS-IMNPFHOJSA-N 0 1 383.456 0.936 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571232135 953186175 /nfs/dbraw/zinc/18/61/75/953186175.db2.gz BRTDXTVZKJACJH-YDHLFZDLSA-N 0 1 383.460 0.321 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nn1 ZINC001571232135 953186177 /nfs/dbraw/zinc/18/61/77/953186177.db2.gz BRTDXTVZKJACJH-YDHLFZDLSA-N 0 1 383.460 0.321 20 0 GCADMN O=C(N[C@@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001571232275 953186263 /nfs/dbraw/zinc/18/62/63/953186263.db2.gz CUWQOJCEJMFSTH-LAWJPMAJSA-N 0 1 383.456 0.663 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1nccnc1-c1nnn[n-]1 ZINC001571232481 953187720 /nfs/dbraw/zinc/18/77/20/953187720.db2.gz GHXXAFBZGPFJST-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CCN1c1nccnc1-c1nn[n-]n1 ZINC001571232481 953187723 /nfs/dbraw/zinc/18/77/23/953187723.db2.gz GHXXAFBZGPFJST-CHWSQXEVSA-N 0 1 383.460 0.226 20 0 GCADMN Cc1cc(NC2CC3(CC(NC(=O)[C@@H]4CCOC4)C3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232622 953188368 /nfs/dbraw/zinc/18/83/68/953188368.db2.gz IMRZROZNSSYWST-OGRHECGISA-N 0 1 383.456 0.868 20 0 GCADMN O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCC(=O)N1 ZINC001571233293 953191296 /nfs/dbraw/zinc/19/12/96/953191296.db2.gz RERVSWIUZJEGOE-CZUORRHYSA-N 0 1 383.456 0.474 20 0 GCADMN O=C([C@@H]1CCCC12CC2)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571233472 953192791 /nfs/dbraw/zinc/19/27/91/953192791.db2.gz VUODADMFNODKJE-HIFRSBDPSA-N 0 1 383.456 0.903 20 0 GCADMN O=C(N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCC(=O)NC1 ZINC001571233493 953192867 /nfs/dbraw/zinc/19/28/67/953192867.db2.gz WOTNRVLRGJKHCK-CVEARBPZSA-N 0 1 383.456 0.474 20 0 GCADMN O=C([C@H]1CCC(=O)NC1)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571233550 953193719 /nfs/dbraw/zinc/19/37/19/953193719.db2.gz XQTPQZMFKRMWKX-AWEZNQCLSA-N 0 1 383.456 0.427 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571233695 953195032 /nfs/dbraw/zinc/19/50/32/953195032.db2.gz ARVHORHKYOIMTN-DFHBCGBQSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@@]2(C)C1 ZINC001571233695 953195034 /nfs/dbraw/zinc/19/50/34/953195034.db2.gz ARVHORHKYOIMTN-DFHBCGBQSA-N 0 1 383.460 0.036 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@H](C)C2)n1 ZINC001571233729 953195353 /nfs/dbraw/zinc/19/53/53/953195353.db2.gz BUZRPYOHHNGPBG-UBHSHLNASA-N 0 1 383.460 0.096 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001571233729 953195357 /nfs/dbraw/zinc/19/53/57/953195357.db2.gz BUZRPYOHHNGPBG-UBHSHLNASA-N 0 1 383.460 0.096 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nnn[n-]2)C1)C12CCC[NH+](CCC1)C2 ZINC001571233902 953197015 /nfs/dbraw/zinc/19/70/15/953197015.db2.gz HLJYESBAGIVMKW-BETUJISGSA-N 0 1 383.460 0.592 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)C1)C12CCC[NH+](CCC1)C2 ZINC001571233902 953197018 /nfs/dbraw/zinc/19/70/18/953197018.db2.gz HLJYESBAGIVMKW-BETUJISGSA-N 0 1 383.460 0.592 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1 ZINC001571233968 953197935 /nfs/dbraw/zinc/19/79/35/953197935.db2.gz JKKNNTHGCJWKHY-VNHYZAJKSA-N 0 1 383.460 0.321 20 0 GCADMN 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ATYNCGVABSPPLD-INIZCTEOSA-N 0 1 397.497 0.535 20 0 GCADMN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001118294286 982951747 /nfs/dbraw/zinc/95/17/47/982951747.db2.gz ATYNCGVABSPPLD-INIZCTEOSA-N 0 1 397.497 0.535 20 0 GCADMN COCCOc1cc(C(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)ccn1 ZINC001118913880 982967065 /nfs/dbraw/zinc/96/70/65/982967065.db2.gz MPTZLBJSSJBENT-SFHVURJKSA-N 0 1 379.413 0.108 20 0 GCADMN CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])sc2C(=O)OC)C1 ZINC001595906820 982977488 /nfs/dbraw/zinc/97/74/88/982977488.db2.gz LVUSVVVECNEBEC-VIFPVBQESA-N 0 1 376.456 0.996 20 0 GCADMN C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCCCC(=O)[O-])CC1 ZINC001119397562 982979340 /nfs/dbraw/zinc/97/93/40/982979340.db2.gz JTEQARLCNAMTED-IYBDPMFKSA-N 0 1 382.505 0.375 20 0 GCADMN CCCOc1cccc(CNC(=O)C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(=O)OC)C2)c1 ZINC001595970112 983194896 /nfs/dbraw/zinc/19/48/96/983194896.db2.gz ZTWFZXDNOLSSHC-HZPDHXFCSA-N 0 1 378.425 0.897 20 0 GCADMN CCN(C(=O)C(=O)N1CCOc2cc(C(=O)[O-])ccc2C1)[C@H]1CC[N@@H+](C)C1 ZINC001596127121 983467171 /nfs/dbraw/zinc/46/71/71/983467171.db2.gz AMNVDSQKWWDCOZ-HNNXBMFYSA-N 0 1 375.425 0.658 20 0 GCADMN CCN(C(=O)C[NH2+][C@@](C)(CC(=O)[O-])c1ccccn1)[C@H]1CCS(=O)(=O)C1 ZINC001596144328 983500105 /nfs/dbraw/zinc/50/01/05/983500105.db2.gz YWOLBWPMFQCXOK-GUYCJALGSA-N 0 1 383.470 0.397 20 0 GCADMN CCN(C)C(=O)c1cccc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)[O-])C2)c1 ZINC001596187723 983560670 /nfs/dbraw/zinc/56/06/70/983560670.db2.gz CZHSGYSCUMVWQS-AWEZNQCLSA-N 0 1 383.470 0.415 20 0 GCADMN CCN(C)C(=O)c1cccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c1 ZINC001596187723 983560672 /nfs/dbraw/zinc/56/06/72/983560672.db2.gz CZHSGYSCUMVWQS-AWEZNQCLSA-N 0 1 383.470 0.415 20 0 GCADMN CC[N@@H+](C)[C@H]1CCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)[O-])cc2)C1 ZINC001596190874 983564716 /nfs/dbraw/zinc/56/47/16/983564716.db2.gz HCSAGFZNLQQZFR-INIZCTEOSA-N 0 1 397.497 0.922 20 0 GCADMN 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385.476 0.567 20 0 GCADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820777421 606831394 /nfs/dbraw/zinc/83/13/94/606831394.db2.gz RCBMORDUMZRMSP-HZSPNIEDSA-N 0 1 385.476 0.567 20 0 GCADMN C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820777421 606831396 /nfs/dbraw/zinc/83/13/96/606831396.db2.gz RCBMORDUMZRMSP-HZSPNIEDSA-N 0 1 385.476 0.567 20 0 GCADMN C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820777421 606831398 /nfs/dbraw/zinc/83/13/98/606831398.db2.gz RCBMORDUMZRMSP-HZSPNIEDSA-N 0 1 385.476 0.567 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c[nH]nc21 ZINC000820789205 606831428 /nfs/dbraw/zinc/83/14/28/606831428.db2.gz XTVVUTNKCJZRBD-LLVKDONJSA-N 0 1 390.411 0.884 20 0 GCADMN C[C@H]1CN(c2nccnc2-c2nn[nH]n2)CCN1C(=O)c1cccc2c[nH]nc21 ZINC000820789206 606831794 /nfs/dbraw/zinc/83/17/94/606831794.db2.gz XTVVUTNKCJZRBD-NSHDSACASA-N 0 1 390.411 0.884 20 0 GCADMN C[C@H](CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)Cn1cccn1 ZINC000820275803 606885875 /nfs/dbraw/zinc/88/58/75/606885875.db2.gz RYRQGGUCOYCQFH-SECBINFHSA-N 0 1 383.384 0.956 20 0 GCADMN Cn1cc(CCCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)cn1 ZINC000822679998 606889049 /nfs/dbraw/zinc/88/90/49/606889049.db2.gz LKAIDQDDEJPXBC-UHFFFAOYSA-N 0 1 383.384 0.790 20 0 GCADMN CC(C)(C)OC(=O)CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000819928135 606891427 /nfs/dbraw/zinc/89/14/27/606891427.db2.gz JIQQDLZHZPTTQC-UHFFFAOYSA-N 0 1 375.357 0.765 20 0 GCADMN Cc1nn(C)c(C)c1CNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822492034 606894142 /nfs/dbraw/zinc/89/41/42/606894142.db2.gz OYAUTULKVWQTQC-UHFFFAOYSA-N 0 1 383.384 0.974 20 0 GCADMN C[C@H](CO[C@@H]1CCOC1)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000820286257 606894953 /nfs/dbraw/zinc/89/49/53/606894953.db2.gz ACIAVJZDVWWDRK-PSASIEDQSA-N 0 1 389.384 0.617 20 0 GCADMN Cc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822464057 606896085 /nfs/dbraw/zinc/89/60/85/606896085.db2.gz ZKIRGPKEFAZHLV-LLVKDONJSA-N 0 1 396.383 0.858 20 0 GCADMN CN(CCCOc1cccc(-c2nn[nH]n2)c1)CCN1CCCS1(=O)=O ZINC000821600662 606908001 /nfs/dbraw/zinc/90/80/01/606908001.db2.gz XKPXDFWICIHTSS-UHFFFAOYSA-N 0 1 380.474 0.603 20 0 GCADMN CCN1C(=O)[C@@H]2CN(CCCOc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000821242878 606908448 /nfs/dbraw/zinc/90/84/48/606908448.db2.gz XHZXOCGTWOSJJQ-HNNXBMFYSA-N 0 1 385.428 0.604 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC000821979761 606914626 /nfs/dbraw/zinc/91/46/26/606914626.db2.gz WGYYLYZYRKFPAG-KWQFWETISA-N 0 1 391.457 0.853 20 0 GCADMN CCN(C1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC000821165400 606926586 /nfs/dbraw/zinc/92/65/86/606926586.db2.gz QZJFRNCSIXKIKY-INIZCTEOSA-N 0 1 394.501 0.646 20 0 GCADMN O=S(=O)(N[C@H]1CCc2c[nH]nc2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823572059 606943780 /nfs/dbraw/zinc/94/37/80/606943780.db2.gz AQHHQBRQPQNLNI-VIFPVBQESA-N 0 1 381.368 0.704 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@H+]3CCC4(CCC4)C3)CC2)o1 ZINC000822422732 606981218 /nfs/dbraw/zinc/98/12/18/606981218.db2.gz BXEGAFVHRBPPPT-UHFFFAOYSA-N 0 1 386.460 0.688 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CCC4(CCC4)C3)CC2)o1 ZINC000822422732 606981224 /nfs/dbraw/zinc/98/12/24/606981224.db2.gz BXEGAFVHRBPPPT-UHFFFAOYSA-N 0 1 386.460 0.688 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CCC4(CCC4)C3)CC2)o1 ZINC000822422732 606981226 /nfs/dbraw/zinc/98/12/26/606981226.db2.gz BXEGAFVHRBPPPT-UHFFFAOYSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@H](CNC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1)N1CCN(C)CC1 ZINC000820262431 607027086 /nfs/dbraw/zinc/02/70/86/607027086.db2.gz VVAOFVZDQLAOFR-CQSZACIVSA-N 0 1 387.488 0.776 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000821624030 607035583 /nfs/dbraw/zinc/03/55/83/607035583.db2.gz XWYADSCZLJZYQW-HNNXBMFYSA-N 0 1 393.455 0.553 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000821624030 607035585 /nfs/dbraw/zinc/03/55/85/607035585.db2.gz XWYADSCZLJZYQW-HNNXBMFYSA-N 0 1 393.455 0.553 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000821624030 607035587 /nfs/dbraw/zinc/03/55/87/607035587.db2.gz XWYADSCZLJZYQW-HNNXBMFYSA-N 0 1 393.455 0.553 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000821624030 607035589 /nfs/dbraw/zinc/03/55/89/607035589.db2.gz XWYADSCZLJZYQW-HNNXBMFYSA-N 0 1 393.455 0.553 20 0 GCADMN CN(CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000821594013 607091607 /nfs/dbraw/zinc/09/16/07/607091607.db2.gz UMJIJSFXDALRBQ-UHFFFAOYSA-N 0 1 393.473 0.161 20 0 GCADMN Cc1cc(C[C@H](C)NC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n[nH]1 ZINC000822200154 607155195 /nfs/dbraw/zinc/15/51/95/607155195.db2.gz WUBXWFUFRPEBBL-LBPRGKRZSA-N 0 1 396.459 0.756 20 0 GCADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000822638046 607172245 /nfs/dbraw/zinc/17/22/45/607172245.db2.gz XMCZLSMPRSXUKN-NVXWUHKLSA-N 0 1 395.467 0.818 20 0 GCADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000822638048 607172376 /nfs/dbraw/zinc/17/23/76/607172376.db2.gz XMCZLSMPRSXUKN-WBVHZDCISA-N 0 1 395.467 0.818 20 0 GCADMN CC[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1N1CCOCC1 ZINC000820993693 607177228 /nfs/dbraw/zinc/17/72/28/607177228.db2.gz AILCDQSXNZIKBB-XYPHTWIQSA-N 0 1 385.472 0.436 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000823314099 607182913 /nfs/dbraw/zinc/18/29/13/607182913.db2.gz LZBPXRKEADWBSR-SNVBAGLBSA-N 0 1 375.820 0.812 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1Cl)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000823314842 607183135 /nfs/dbraw/zinc/18/31/35/607183135.db2.gz SEXVTXCNVZNRAK-LBPRGKRZSA-N 0 1 387.831 0.931 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000822613106 607194949 /nfs/dbraw/zinc/19/49/49/607194949.db2.gz APIFPLAGYATFTD-OLZOCXBDSA-N 0 1 375.437 0.100 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000822613106 607194950 /nfs/dbraw/zinc/19/49/50/607194950.db2.gz APIFPLAGYATFTD-OLZOCXBDSA-N 0 1 375.437 0.100 20 0 GCADMN COc1ccccc1[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC000821883563 607205315 /nfs/dbraw/zinc/20/53/15/607205315.db2.gz XORAQJSHAFZSHR-AWEZNQCLSA-N 0 1 397.443 0.420 20 0 GCADMN CC(C)OC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000820142275 607205833 /nfs/dbraw/zinc/20/58/33/607205833.db2.gz IZSCCAKKJIOPEE-CYBMUJFWSA-N 0 1 384.400 0.657 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000823122984 607206207 /nfs/dbraw/zinc/20/62/07/607206207.db2.gz JURWGPLORIOPOO-UHFFFAOYSA-N 0 1 378.400 0.741 20 0 GCADMN Cc1cc(C)c(NC(=O)CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)n2)c(C)c1 ZINC000822194315 607207243 /nfs/dbraw/zinc/20/72/43/607207243.db2.gz RRANNAXARCGFHP-UHFFFAOYSA-N 0 1 383.416 0.481 20 0 GCADMN CC[NH+](CC)CCOc1ccc(CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821189826 607208180 /nfs/dbraw/zinc/20/81/80/607208180.db2.gz VFNWSCLVZPIYBO-UHFFFAOYSA-N 0 1 399.459 0.495 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1NC(=O)N1CCCC1 ZINC000823136226 607208291 /nfs/dbraw/zinc/20/82/91/607208291.db2.gz PDZSYNPKEKYHHW-UHFFFAOYSA-N 0 1 382.388 0.725 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccnc(OCC(F)(F)F)c1 ZINC000823131326 607208355 /nfs/dbraw/zinc/20/83/55/607208355.db2.gz GBDIFZMORYNFNI-UHFFFAOYSA-N 0 1 383.294 0.111 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(N2CCCCCC2)nc1 ZINC000823130966 607208393 /nfs/dbraw/zinc/20/83/93/607208393.db2.gz AANIOYBSKBMCTJ-UHFFFAOYSA-N 0 1 382.432 0.550 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCNc1ccc(C(F)(F)F)cn1 ZINC000823131184 607208434 /nfs/dbraw/zinc/20/84/34/607208434.db2.gz CRYSNASCWFGLEW-UHFFFAOYSA-N 0 1 396.337 0.490 20 0 GCADMN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)nc1 ZINC000822242291 607208947 /nfs/dbraw/zinc/20/89/47/607208947.db2.gz HBXJIBJFUNIBJE-LBPRGKRZSA-N 0 1 396.415 0.039 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(F)c(N2CCCC2)c(F)c1 ZINC000823131773 607209332 /nfs/dbraw/zinc/20/93/32/607209332.db2.gz NTXAWTDXUZPTFP-UHFFFAOYSA-N 0 1 375.343 0.975 20 0 GCADMN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000819933313 607210888 /nfs/dbraw/zinc/21/08/88/607210888.db2.gz NGOPYWSBBWNMCZ-LLVKDONJSA-N 0 1 391.436 0.364 20 0 GCADMN C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821586222 607211183 /nfs/dbraw/zinc/21/11/83/607211183.db2.gz OSKDUPFTIGYTFA-UHFFFAOYSA-N 0 1 391.386 0.327 20 0 GCADMN CCOC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(F)cc1 ZINC000821325890 607211345 /nfs/dbraw/zinc/21/13/45/607211345.db2.gz PQBNZAJJGLRQIS-LBPRGKRZSA-N 0 1 388.363 0.408 20 0 GCADMN Cc1ccc(NC(=O)CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(Cl)c1 ZINC000822242783 607211475 /nfs/dbraw/zinc/21/14/75/607211475.db2.gz XTALNRNTWHGQDH-UHFFFAOYSA-N 0 1 375.780 0.175 20 0 GCADMN CCCCCCNC(=O)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821056619 607212116 /nfs/dbraw/zinc/21/21/16/607212116.db2.gz UOUYSVDJEZQOGV-ZDUSSCGKSA-N 0 1 389.464 0.393 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000821572252 607212474 /nfs/dbraw/zinc/21/24/74/607212474.db2.gz XMJQLFVTSVSIHD-HNNXBMFYSA-N 0 1 396.390 0.579 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(OC2CCCCC2)nc1 ZINC000823131437 607212883 /nfs/dbraw/zinc/21/28/83/607212883.db2.gz HHYZXXOPDYYDCP-UHFFFAOYSA-N 0 1 383.416 0.881 20 0 GCADMN O=C(CC1CCCC1)N1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000822941117 607215415 /nfs/dbraw/zinc/21/54/15/607215415.db2.gz QLPGAQWLODRBQK-UHFFFAOYSA-N 0 1 387.448 0.099 20 0 GCADMN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820057124 607215558 /nfs/dbraw/zinc/21/55/58/607215558.db2.gz WYGOAFXFPPPXLM-LLVKDONJSA-N 0 1 393.452 0.514 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccnc(N2CCCCCC2)c1 ZINC000823131698 607215647 /nfs/dbraw/zinc/21/56/47/607215647.db2.gz MBDGLINGYNXGFW-UHFFFAOYSA-N 0 1 382.432 0.550 20 0 GCADMN CC(C)(C)OC(=O)NC[C@](C)(NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C1CC1 ZINC000819940372 607215729 /nfs/dbraw/zinc/21/57/29/607215729.db2.gz ZDIUCVIDXICDAB-INIZCTEOSA-N 0 1 391.436 0.268 20 0 GCADMN CCOC(=O)CN(CCc1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821330756 607215933 /nfs/dbraw/zinc/21/59/33/607215933.db2.gz QMWQKWOWEPCGMZ-UHFFFAOYSA-N 0 1 384.400 0.093 20 0 GCADMN COCCN(CCOc1ccc(F)cc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821690083 607216062 /nfs/dbraw/zinc/21/60/62/607216062.db2.gz YAQCEQXWKZNMIX-UHFFFAOYSA-N 0 1 390.379 0.151 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000823132070 607216271 /nfs/dbraw/zinc/21/62/71/607216271.db2.gz YGIQHQPNGCFLBF-UHFFFAOYSA-N 0 1 397.443 0.249 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000823431286 607216605 /nfs/dbraw/zinc/21/66/05/607216605.db2.gz PFEYAGDRWMHBRB-CYBMUJFWSA-N 0 1 382.384 0.193 20 0 GCADMN CN(C)[C@@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1c(F)cccc1F ZINC000821579747 607217722 /nfs/dbraw/zinc/21/77/22/607217722.db2.gz MFYRWRXKTMHWCF-NSHDSACASA-N 0 1 377.359 0.156 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1ccc(Br)cc1 ZINC000823131198 607217852 /nfs/dbraw/zinc/21/78/52/607217852.db2.gz CVWYZASHTWILBS-UHFFFAOYSA-N 0 1 377.206 0.580 20 0 GCADMN C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H]1c1cccs1 ZINC000821623744 607218883 /nfs/dbraw/zinc/21/88/83/607218883.db2.gz RNUQVNRUEDAXBC-SMDDNHRTSA-N 0 1 387.473 0.719 20 0 GCADMN C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1c1cccs1 ZINC000821623744 607218884 /nfs/dbraw/zinc/21/88/84/607218884.db2.gz RNUQVNRUEDAXBC-SMDDNHRTSA-N 0 1 387.473 0.719 20 0 GCADMN C[N@H+]1CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@@H]1c1cccs1 ZINC000821623744 607218885 /nfs/dbraw/zinc/21/88/85/607218885.db2.gz RNUQVNRUEDAXBC-SMDDNHRTSA-N 0 1 387.473 0.719 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 ZINC000823136130 607218940 /nfs/dbraw/zinc/21/89/40/607218940.db2.gz LJCGNZLGKGIPQW-LLVKDONJSA-N 0 1 387.379 0.827 20 0 GCADMN C[C@@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820716938 607220109 /nfs/dbraw/zinc/22/01/09/607220109.db2.gz MUFRKJBLRZLKJW-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820716938 607220110 /nfs/dbraw/zinc/22/01/10/607220110.db2.gz MUFRKJBLRZLKJW-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820716938 607220111 /nfs/dbraw/zinc/22/01/11/607220111.db2.gz MUFRKJBLRZLKJW-CQSZACIVSA-N 0 1 381.444 0.581 20 0 GCADMN CN(C[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OC(C)(C)C ZINC000821596177 607220185 /nfs/dbraw/zinc/22/01/85/607220185.db2.gz BVOTYWOAWDHAOU-LLVKDONJSA-N 0 1 391.436 0.316 20 0 GCADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821596912 607220361 /nfs/dbraw/zinc/22/03/61/607220361.db2.gz YIYMBCFNYRSTRP-HNNXBMFYSA-N 0 1 381.444 0.439 20 0 GCADMN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596912 607220362 /nfs/dbraw/zinc/22/03/62/607220362.db2.gz YIYMBCFNYRSTRP-HNNXBMFYSA-N 0 1 381.444 0.439 20 0 GCADMN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596912 607220363 /nfs/dbraw/zinc/22/03/63/607220363.db2.gz YIYMBCFNYRSTRP-HNNXBMFYSA-N 0 1 381.444 0.439 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000823132100 607220611 /nfs/dbraw/zinc/22/06/11/607220611.db2.gz ZVDJJVMBNOHHPH-UHFFFAOYSA-N 0 1 382.363 0.142 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(Cc2ccccc2)no1 ZINC000820333975 607221286 /nfs/dbraw/zinc/22/12/86/607221286.db2.gz HYSYRHCQPIRVEA-SNVBAGLBSA-N 0 1 380.372 0.309 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000823122597 607222019 /nfs/dbraw/zinc/22/20/19/607222019.db2.gz FNPYLXMDLLMFEX-CYBMUJFWSA-N 0 1 376.421 0.035 20 0 GCADMN COCCCOc1cc(C)ccc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821687501 607222136 /nfs/dbraw/zinc/22/21/36/607222136.db2.gz BUFKTHQMDVPTNX-UHFFFAOYSA-N 0 1 386.416 0.498 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000823123225 607222281 /nfs/dbraw/zinc/22/22/81/607222281.db2.gz SVLUFEARBCWMPD-AWEZNQCLSA-N 0 1 394.395 0.814 20 0 GCADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OC[C@H]2CCOC2)c1 ZINC000822237181 607222326 /nfs/dbraw/zinc/22/23/26/607222326.db2.gz INAQICDNKFUAAN-ZDUSSCGKSA-N 0 1 398.427 0.498 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000823126328 607223191 /nfs/dbraw/zinc/22/31/91/607223191.db2.gz HZMGHKBSVNKLHY-VIFPVBQESA-N 0 1 375.343 0.132 20 0 GCADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820760648 607223490 /nfs/dbraw/zinc/22/34/90/607223490.db2.gz RLAXTBDPABRNQT-HALDLXJZSA-N 0 1 395.471 0.731 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820760648 607223491 /nfs/dbraw/zinc/22/34/91/607223491.db2.gz RLAXTBDPABRNQT-HALDLXJZSA-N 0 1 395.471 0.731 20 0 GCADMN C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820760648 607223492 /nfs/dbraw/zinc/22/34/92/607223492.db2.gz RLAXTBDPABRNQT-HALDLXJZSA-N 0 1 395.471 0.731 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1cc2c(cc1OC(F)F)OCO2 ZINC000823131631 607223572 /nfs/dbraw/zinc/22/35/72/607223572.db2.gz KPUIMRSMHSBCHN-UHFFFAOYSA-N 0 1 394.298 0.105 20 0 GCADMN Cc1cc(C)n(-c2ccccc2CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000822197498 607223743 /nfs/dbraw/zinc/22/37/43/607223743.db2.gz CRFKYSPONQZSLJ-UHFFFAOYSA-N 0 1 378.400 0.577 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000823127025 607224723 /nfs/dbraw/zinc/22/47/23/607224723.db2.gz QYRRIGCHATYTAG-SNVBAGLBSA-N 0 1 398.305 0.207 20 0 GCADMN Cc1nc([C@H]2CN(C(=O)c3ncc(-c4nn[nH]n4)cc3Cl)CCO2)n[nH]1 ZINC000822414438 607234379 /nfs/dbraw/zinc/23/43/79/607234379.db2.gz FSILUBZHTPSGPZ-SNVBAGLBSA-N 0 1 375.780 0.555 20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1OCC(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000826174602 607792364 /nfs/dbraw/zinc/79/23/64/607792364.db2.gz CMDGAGJYBCFZDW-NSHDSACASA-N 0 1 385.388 0.173 20 0 GCADMN Cc1ccc(Cn2cccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)c2=O)cc1 ZINC000826289169 607824346 /nfs/dbraw/zinc/82/43/46/607824346.db2.gz NGBUIYQDJWNXRC-UHFFFAOYSA-N 0 1 391.395 0.615 20 0 GCADMN CN(CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN(C)C1 ZINC000826030040 607829021 /nfs/dbraw/zinc/82/90/21/607829021.db2.gz ZZNXAKOHBWITPT-AWEZNQCLSA-N 0 1 378.502 0.914 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CS[C@H]3CCO[C@@H]3C)CC2)o1 ZINC000826322834 607845743 /nfs/dbraw/zinc/84/57/43/607845743.db2.gz DDERPSQLDYKKAU-PWSUYJOCSA-N 0 1 393.473 0.722 20 0 GCADMN CC(C)C(=O)NCCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000824177337 607907278 /nfs/dbraw/zinc/90/72/78/607907278.db2.gz HHBXTKXCWYINCA-UHFFFAOYSA-N 0 1 388.400 0.586 20 0 GCADMN CN(C)CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cc2Br)CC1 ZINC000825855930 607989079 /nfs/dbraw/zinc/98/90/79/607989079.db2.gz MBLQRLFWEPVRCS-UHFFFAOYSA-N 0 1 394.277 0.839 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1-c1nnn[n-]1 ZINC000826077788 608021404 /nfs/dbraw/zinc/02/14/04/608021404.db2.gz VYBOPBQIGKBFCO-ZDUSSCGKSA-N 0 1 386.391 0.823 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1-c1nn[n-]n1 ZINC000826077788 608021405 /nfs/dbraw/zinc/02/14/05/608021405.db2.gz VYBOPBQIGKBFCO-ZDUSSCGKSA-N 0 1 386.391 0.823 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CS(=O)(=O)C2CCCC2)c1-c1nnn[n-]1 ZINC000826077824 608022151 /nfs/dbraw/zinc/02/21/51/608022151.db2.gz XBNVNZPNQZOHLF-UHFFFAOYSA-N 0 1 396.477 0.038 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CS(=O)(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC000826077824 608022152 /nfs/dbraw/zinc/02/21/52/608022152.db2.gz XBNVNZPNQZOHLF-UHFFFAOYSA-N 0 1 396.477 0.038 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(C)n3ccccc23)c1-c1nnn[n-]1 ZINC000826083580 608022497 /nfs/dbraw/zinc/02/24/97/608022497.db2.gz NKYRDTFDIBHOOH-UHFFFAOYSA-N 0 1 380.416 0.950 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2nc(C)n3ccccc23)c1-c1nn[n-]n1 ZINC000826083580 608022498 /nfs/dbraw/zinc/02/24/98/608022498.db2.gz NKYRDTFDIBHOOH-UHFFFAOYSA-N 0 1 380.416 0.950 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(C(=O)NC3CC3)CCC2)c1-c1nnn[n-]1 ZINC000826073427 608022627 /nfs/dbraw/zinc/02/26/27/608022627.db2.gz RJZVZDNSNOIDPI-UHFFFAOYSA-N 0 1 387.448 0.129 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)C2(C(=O)NC3CC3)CCC2)c1-c1nn[n-]n1 ZINC000826073427 608022628 /nfs/dbraw/zinc/02/26/28/608022628.db2.gz RJZVZDNSNOIDPI-UHFFFAOYSA-N 0 1 387.448 0.129 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COc1ccc(F)cc1 ZINC000825933281 608034209 /nfs/dbraw/zinc/03/42/09/608034209.db2.gz AMSOBTAQSLYHAY-GFCCVEGCSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@@H](O)COc1ccc(F)cc1 ZINC000825933281 608034210 /nfs/dbraw/zinc/03/42/10/608034210.db2.gz AMSOBTAQSLYHAY-GFCCVEGCSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COc1ccc(F)cc1 ZINC000825933281 608034211 /nfs/dbraw/zinc/03/42/11/608034211.db2.gz AMSOBTAQSLYHAY-GFCCVEGCSA-N 0 1 390.423 0.615 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@@H](O)COc1ccc(F)cc1 ZINC000825933281 608034212 /nfs/dbraw/zinc/03/42/12/608034212.db2.gz AMSOBTAQSLYHAY-GFCCVEGCSA-N 0 1 390.423 0.615 20 0 GCADMN Cc1cccc(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826300247 608035472 /nfs/dbraw/zinc/03/54/72/608035472.db2.gz NKCGHBRTRQTLHB-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000826300247 608035473 /nfs/dbraw/zinc/03/54/73/608035473.db2.gz NKCGHBRTRQTLHB-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1cccc(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826300247 608035474 /nfs/dbraw/zinc/03/54/74/608035474.db2.gz NKCGHBRTRQTLHB-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000826300247 608035475 /nfs/dbraw/zinc/03/54/75/608035475.db2.gz NKCGHBRTRQTLHB-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COCc1cccs1 ZINC000825933675 608035733 /nfs/dbraw/zinc/03/57/33/608035733.db2.gz FLWOLSILBZPMKP-NSHDSACASA-N 0 1 392.489 0.676 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COCc1cccs1 ZINC000825933675 608035734 /nfs/dbraw/zinc/03/57/34/608035734.db2.gz FLWOLSILBZPMKP-NSHDSACASA-N 0 1 392.489 0.676 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COCc1cccs1 ZINC000825933675 608035735 /nfs/dbraw/zinc/03/57/35/608035735.db2.gz FLWOLSILBZPMKP-NSHDSACASA-N 0 1 392.489 0.676 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COCc1cccs1 ZINC000825933675 608035736 /nfs/dbraw/zinc/03/57/36/608035736.db2.gz FLWOLSILBZPMKP-NSHDSACASA-N 0 1 392.489 0.676 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000825933933 608036986 /nfs/dbraw/zinc/03/69/86/608036986.db2.gz IWKCMWXAPNYUAU-VIFPVBQESA-N 0 1 387.370 0.200 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000825933933 608036987 /nfs/dbraw/zinc/03/69/87/608036987.db2.gz IWKCMWXAPNYUAU-VIFPVBQESA-N 0 1 387.370 0.200 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COCc1ccco1 ZINC000825935248 608037098 /nfs/dbraw/zinc/03/70/98/608037098.db2.gz XJZDBCFYSWIOBI-NSHDSACASA-N 0 1 376.421 0.207 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)C[C@H](O)COCc1ccco1 ZINC000825935248 608037099 /nfs/dbraw/zinc/03/70/99/608037099.db2.gz XJZDBCFYSWIOBI-NSHDSACASA-N 0 1 376.421 0.207 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COCc1ccco1 ZINC000825935248 608037100 /nfs/dbraw/zinc/03/71/00/608037100.db2.gz XJZDBCFYSWIOBI-NSHDSACASA-N 0 1 376.421 0.207 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)C[C@H](O)COCc1ccco1 ZINC000825935248 608037101 /nfs/dbraw/zinc/03/71/01/608037101.db2.gz XJZDBCFYSWIOBI-NSHDSACASA-N 0 1 376.421 0.207 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)N(C)c1nccs1 ZINC000825935309 608037551 /nfs/dbraw/zinc/03/75/51/608037551.db2.gz ZWMJLMDOLZJVOR-UHFFFAOYSA-N 0 1 376.450 0.156 20 0 GCADMN O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000826398815 608074946 /nfs/dbraw/zinc/07/49/46/608074946.db2.gz GUYNMYLKTJBDTH-ZFWWWQNUSA-N 0 1 394.443 0.755 20 0 GCADMN O=C([C@@H]1CCCO1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826468318 608115069 /nfs/dbraw/zinc/11/50/69/608115069.db2.gz LELYSRWZRLMIAB-LBPRGKRZSA-N 0 1 385.384 0.942 20 0 GCADMN O=C(CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826478426 608169300 /nfs/dbraw/zinc/16/93/00/608169300.db2.gz BIUSKIWFEGQQNK-CMPLNLGQSA-N 0 1 375.458 0.857 20 0 GCADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@H](O)c1c(F)cccc1Cl ZINC000824492448 608202161 /nfs/dbraw/zinc/20/21/61/608202161.db2.gz ZAGZPWYQPHFBCE-MADCSZMMSA-N 0 1 380.771 0.489 20 0 GCADMN CCOC[C@@H](O)CN1CCN(c2ccc3cc(-c4nn[nH]n4)ccc3n2)CC1 ZINC000825589828 608226740 /nfs/dbraw/zinc/22/67/40/608226740.db2.gz JRRZHSQVASJOFP-INIZCTEOSA-N 0 1 383.456 0.934 20 0 GCADMN O=C(CN[C@@]1(CO)CCc2ccccc21)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412082 608254305 /nfs/dbraw/zinc/25/43/05/608254305.db2.gz ARVKTYPRIXTVNL-HXUWFJFHSA-N 0 1 378.436 0.907 20 0 GCADMN O=C(CN[C@]1(CO)CCc2ccccc21)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826412081 608254623 /nfs/dbraw/zinc/25/46/23/608254623.db2.gz ARVKTYPRIXTVNL-FQEVSTJZSA-N 0 1 378.436 0.907 20 0 GCADMN CCC[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)OC ZINC000825242246 608306695 /nfs/dbraw/zinc/30/66/95/608306695.db2.gz MAZGKGOSTDLDDX-SNVBAGLBSA-N 0 1 375.357 0.765 20 0 GCADMN CS(=O)(=O)Nc1ccc(OCC[NH2+]Cc2ccc(-c3nn[n-]n3)o2)cc1 ZINC000826224069 608314407 /nfs/dbraw/zinc/31/44/07/608314407.db2.gz MYNYIPJKABUPEN-UHFFFAOYSA-N 0 1 378.414 1.000 20 0 GCADMN Cc1nn(-c2ccccc2)c(CN2CCC(NC(N)=O)CC2)c1-c1nn[nH]n1 ZINC000826332536 608315886 /nfs/dbraw/zinc/31/58/86/608315886.db2.gz XDFQRZPTHFBFGM-UHFFFAOYSA-N 0 1 381.444 0.994 20 0 GCADMN O=S(=O)(Cc1cc(-c2nn[nH]n2)ccc1F)NCCCN1CCC(O)CC1 ZINC000826485831 608335322 /nfs/dbraw/zinc/33/53/22/608335322.db2.gz FJTVTEBEUDXYKQ-UHFFFAOYSA-N 0 1 398.464 0.272 20 0 GCADMN CC[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC1 ZINC000825454010 608340004 /nfs/dbraw/zinc/34/00/04/608340004.db2.gz XWAKZEIOQUBLCB-UHFFFAOYSA-N 0 1 389.464 0.357 20 0 GCADMN CC[NH+]1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC1 ZINC000825454010 608340006 /nfs/dbraw/zinc/34/00/06/608340006.db2.gz XWAKZEIOQUBLCB-UHFFFAOYSA-N 0 1 389.464 0.357 20 0 GCADMN C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824401278 608350900 /nfs/dbraw/zinc/35/09/00/608350900.db2.gz PIDXEHIMDQLYMJ-SNVBAGLBSA-N 0 1 377.453 0.213 20 0 GCADMN C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824401278 608350902 /nfs/dbraw/zinc/35/09/02/608350902.db2.gz PIDXEHIMDQLYMJ-SNVBAGLBSA-N 0 1 377.453 0.213 20 0 GCADMN CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825460425 608353780 /nfs/dbraw/zinc/35/37/80/608353780.db2.gz WUGZUZKIAHGUTB-NSHDSACASA-N 0 1 389.464 0.357 20 0 GCADMN CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825460425 608353782 /nfs/dbraw/zinc/35/37/82/608353782.db2.gz WUGZUZKIAHGUTB-NSHDSACASA-N 0 1 389.464 0.357 20 0 GCADMN COCCCOCCN(C)C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000826156891 608362037 /nfs/dbraw/zinc/36/20/37/608362037.db2.gz YESONEDAUGVUMA-UHFFFAOYSA-N 0 1 382.446 0.814 20 0 GCADMN C[C@@H](CN1CCOCC1)C(=O)N1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824414084 608387897 /nfs/dbraw/zinc/38/78/97/608387897.db2.gz TVBNXGSNXOUYHO-INIZCTEOSA-N 0 1 399.499 0.874 20 0 GCADMN C[N@H+](CCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)Cc1ccccc1 ZINC000825937711 608413923 /nfs/dbraw/zinc/41/39/23/608413923.db2.gz IPGXUDOOBWTOCM-UHFFFAOYSA-N 0 1 379.472 0.911 20 0 GCADMN C[N@@H+](CCN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)Cc1ccccc1 ZINC000825937711 608413925 /nfs/dbraw/zinc/41/39/25/608413925.db2.gz IPGXUDOOBWTOCM-UHFFFAOYSA-N 0 1 379.472 0.911 20 0 GCADMN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC000825870606 608437585 /nfs/dbraw/zinc/43/75/85/608437585.db2.gz UNAICPPYJGJBRN-HNNXBMFYSA-N 0 1 381.444 0.358 20 0 GCADMN C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC000825870606 608437586 /nfs/dbraw/zinc/43/75/86/608437586.db2.gz UNAICPPYJGJBRN-HNNXBMFYSA-N 0 1 381.444 0.358 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C[C@@H]1N(C)C ZINC000826227422 608443491 /nfs/dbraw/zinc/44/34/91/608443491.db2.gz QWBRDSGXRUATAV-RYUDHWBXSA-N 0 1 386.478 0.672 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C[C@H]1N(C)C ZINC000826227665 608443590 /nfs/dbraw/zinc/44/35/90/608443590.db2.gz VGYHRHSIOKWMJT-OLZOCXBDSA-N 0 1 382.515 0.841 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C[C@@H]1N(C)C ZINC000826227948 608443732 /nfs/dbraw/zinc/44/37/32/608443732.db2.gz ZWPPWDCHLAPZJP-NWDGAFQWSA-N 0 1 386.478 0.672 20 0 GCADMN O=S1(=O)CCC(O)(CN(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)CC1 ZINC000826497080 608449104 /nfs/dbraw/zinc/44/91/04/608449104.db2.gz UEPYTUYXZRDBBO-UHFFFAOYSA-N 0 1 377.470 0.771 20 0 GCADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000824532934 608460512 /nfs/dbraw/zinc/46/05/12/608460512.db2.gz YLYLDSJOYPDRSP-COPLHBTASA-N 0 1 378.458 0.209 20 0 GCADMN CC(=O)N[C@H]1CCCN(C(=O)CNC2(c3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000823989065 608530210 /nfs/dbraw/zinc/53/02/10/608530210.db2.gz LVLKBKXVCNMXKB-INIZCTEOSA-N 0 1 383.456 0.573 20 0 GCADMN CON(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826166719 608574619 /nfs/dbraw/zinc/57/46/19/608574619.db2.gz XQGBKIMMVHVRNF-UHFFFAOYSA-N 0 1 388.388 0.257 20 0 GCADMN NS(=O)(=O)C[C@@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826394198 608695877 /nfs/dbraw/zinc/69/58/77/608695877.db2.gz AWCXXNPUFQRZQR-LLVKDONJSA-N 0 1 376.446 0.015 20 0 GCADMN CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825328913 609155233 /nfs/dbraw/zinc/15/52/33/609155233.db2.gz YJUKPOJYECKWFN-GFCCVEGCSA-N 0 1 390.496 0.478 20 0 GCADMN CCC[N@H+]1CC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000825328913 609155234 /nfs/dbraw/zinc/15/52/34/609155234.db2.gz YJUKPOJYECKWFN-GFCCVEGCSA-N 0 1 390.496 0.478 20 0 GCADMN CCC[N@@H+]1CC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825328913 609155235 /nfs/dbraw/zinc/15/52/35/609155235.db2.gz YJUKPOJYECKWFN-GFCCVEGCSA-N 0 1 390.496 0.478 20 0 GCADMN CCC[N@H+]1CC[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825328913 609155236 /nfs/dbraw/zinc/15/52/36/609155236.db2.gz YJUKPOJYECKWFN-GFCCVEGCSA-N 0 1 390.496 0.478 20 0 GCADMN Cc1cc(CC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[nH]n1 ZINC000826266318 609178757 /nfs/dbraw/zinc/17/87/57/609178757.db2.gz LATFZVVBPKIXMK-HNNXBMFYSA-N 0 1 380.412 0.753 20 0 GCADMN O=C(CCc1nc[nH]n1)N[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826409946 609179060 /nfs/dbraw/zinc/17/90/60/609179060.db2.gz VRQKKAIZDACVFK-CYBMUJFWSA-N 0 1 381.400 0.229 20 0 GCADMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC000824301362 609213879 /nfs/dbraw/zinc/21/38/79/609213879.db2.gz VPGJIZYLJGKYPL-HNNXBMFYSA-N 0 1 388.476 0.062 20 0 GCADMN O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000826397949 609215482 /nfs/dbraw/zinc/21/54/82/609215482.db2.gz NDBKTXGXLYSCCJ-IAGOWNOFSA-N 0 1 386.456 0.613 20 0 GCADMN CC(=O)N1CCCN([C@@H]2CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C[C@H]2C)CC1 ZINC000823980978 609226246 /nfs/dbraw/zinc/22/62/46/609226246.db2.gz IDIPBDMGFVSBES-MLGOLLRUSA-N 0 1 386.460 0.210 20 0 GCADMN CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825452450 609300170 /nfs/dbraw/zinc/30/01/70/609300170.db2.gz OPTXXNMXBKQFOR-LLVKDONJSA-N 0 1 376.469 0.230 20 0 GCADMN CC[N@H+]1CCC[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825452450 609300172 /nfs/dbraw/zinc/30/01/72/609300172.db2.gz OPTXXNMXBKQFOR-LLVKDONJSA-N 0 1 376.469 0.230 20 0 GCADMN C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[NH+]1CCCCC1 ZINC000824419791 609300518 /nfs/dbraw/zinc/30/05/18/609300518.db2.gz BQAHZGOXSVBPFG-GFCCVEGCSA-N 0 1 390.496 0.620 20 0 GCADMN C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[NH+]1CCCCC1 ZINC000824419791 609300519 /nfs/dbraw/zinc/30/05/19/609300519.db2.gz BQAHZGOXSVBPFG-GFCCVEGCSA-N 0 1 390.496 0.620 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC[N@@H+]1C ZINC000824892498 609303706 /nfs/dbraw/zinc/30/37/06/609303706.db2.gz JIDORIRSZUDIJL-QWRGUYRKSA-N 0 1 376.469 0.229 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC[N@H+]1C ZINC000824892498 609303708 /nfs/dbraw/zinc/30/37/08/609303708.db2.gz JIDORIRSZUDIJL-QWRGUYRKSA-N 0 1 376.469 0.229 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC[N@@H+]1C ZINC000824892498 609303709 /nfs/dbraw/zinc/30/37/09/609303709.db2.gz JIDORIRSZUDIJL-QWRGUYRKSA-N 0 1 376.469 0.229 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC[N@H+]1C ZINC000824892498 609303712 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ZINC001573594231 947388460 /nfs/dbraw/zinc/38/84/60/947388460.db2.gz PBVPAEYZAGIBHY-GXTWGEPZSA-N 0 1 388.476 0.598 20 0 GCADMN C[C@H](C(=O)N(C)C)N(C)C[C@@H]1CCCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573594236 947388868 /nfs/dbraw/zinc/38/88/68/947388868.db2.gz PDCGJXNQVOBTTJ-OLZOCXBDSA-N 0 1 388.476 0.598 20 0 GCADMN C[C@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573594204 947390470 /nfs/dbraw/zinc/39/04/70/947390470.db2.gz OQIWDGHXVGFNPW-SCZZXKLOSA-N 0 1 384.366 0.926 20 0 GCADMN Cn1cc(CN2C[C@@H]3OCCN(C)[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826044742 947417201 /nfs/dbraw/zinc/41/72/01/947417201.db2.gz KFXQCHIVJGOPJM-IRXDYDNUSA-N 0 1 380.456 0.782 20 0 GCADMN CN1CCO[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@@H]21 ZINC000826045532 947418281 /nfs/dbraw/zinc/41/82/81/947418281.db2.gz YEAKTVGBQAWHIZ-YESZJQIVSA-N 0 1 383.456 0.377 20 0 GCADMN CN1CCO[C@@H]2CN([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@H]21 ZINC000826045529 947419706 /nfs/dbraw/zinc/41/97/06/947419706.db2.gz YEAKTVGBQAWHIZ-BRWVUGGUSA-N 0 1 383.456 0.377 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)n1cncn1 ZINC001573596045 947426149 /nfs/dbraw/zinc/42/61/49/947426149.db2.gz IFGVBDHABAREAP-BBRMVZONSA-N 0 1 381.444 0.752 20 0 GCADMN C[C@H](C(=O)N(C)C[C@@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)n1cncn1 ZINC001573596047 947427568 /nfs/dbraw/zinc/42/75/68/947427568.db2.gz IFGVBDHABAREAP-CJNGLKHVSA-N 0 1 381.444 0.752 20 0 GCADMN C[C@@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCC(=O)N1 ZINC001573604386 947508451 /nfs/dbraw/zinc/50/84/51/947508451.db2.gz SUPOOGXSGBZDMT-YPMHNXCESA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H]([C@H](C)C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573607518 947548670 /nfs/dbraw/zinc/54/86/70/947548670.db2.gz OHSIQLHMAYAEKR-QWHCGFSZSA-N 0 1 390.492 0.630 20 0 GCADMN C[C@H](C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)c1cccs1 ZINC001573607651 947550937 /nfs/dbraw/zinc/55/09/37/947550937.db2.gz QLPXTQGZDPDDBM-LBPRGKRZSA-N 0 1 387.469 0.782 20 0 GCADMN C[C@H](C(=O)N1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1)n1cncn1 ZINC001573613484 947563195 /nfs/dbraw/zinc/56/31/95/947563195.db2.gz BCCCODIXYZVWDQ-BXUZGUMPSA-N 0 1 382.432 0.185 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573613756 947571351 /nfs/dbraw/zinc/57/13/51/947571351.db2.gz HXOXRMGSRMUBBS-UGSOOPFHSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573613754 947571962 /nfs/dbraw/zinc/57/19/62/947571962.db2.gz HXOXRMGSRMUBBS-FZKQIMNGSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573614798 947593830 /nfs/dbraw/zinc/59/38/30/947593830.db2.gz HKDGVZMGKLVRLY-OLZOCXBDSA-N 0 1 382.432 0.187 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](CCNc2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573614799 947593933 /nfs/dbraw/zinc/59/39/33/947593933.db2.gz HKDGVZMGKLVRLY-QWHCGFSZSA-N 0 1 382.432 0.187 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573616990 947632737 /nfs/dbraw/zinc/63/27/37/947632737.db2.gz KRXSMDSYVKTMBZ-OLZOCXBDSA-N 0 1 381.444 0.481 20 0 GCADMN C=Cc1ccc(C(=O)NC[C@@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573354681 947637050 /nfs/dbraw/zinc/63/70/50/947637050.db2.gz HABOPUNQIGBAED-IBGZPJMESA-N 0 1 392.423 0.671 20 0 GCADMN C[C@H](C(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573617753 947641062 /nfs/dbraw/zinc/64/10/62/947641062.db2.gz MTORHBUGRAVZPY-GFCCVEGCSA-N 0 1 382.432 0.542 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573617980 947646639 /nfs/dbraw/zinc/64/66/39/947646639.db2.gz OBNZIYNNMNIWMO-DGCLKSJQSA-N 0 1 382.432 0.231 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573619187 947660787 /nfs/dbraw/zinc/66/07/87/947660787.db2.gz URQNHZRYGBIFGB-JSGCOSHPSA-N 0 1 379.428 0.893 20 0 GCADMN C[C@@H](C(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2)C1CC1 ZINC001573623429 947688654 /nfs/dbraw/zinc/68/86/54/947688654.db2.gz FSPFCIZZKFTWEO-KZULUSFZSA-N 0 1 384.444 0.511 20 0 GCADMN C[C@H](C(=O)N1CCC(O)(Cc2ccccn2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573627188 947719253 /nfs/dbraw/zinc/71/92/53/947719253.db2.gz ZZIZYJKMTVPAJS-GFCCVEGCSA-N 0 1 383.416 0.010 20 0 GCADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573627521 947726372 /nfs/dbraw/zinc/72/63/72/947726372.db2.gz CYDIQSICOONENC-OLZOCXBDSA-N 0 1 382.432 0.329 20 0 GCADMN C/C(=C/C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573364931 947726583 /nfs/dbraw/zinc/72/65/83/947726583.db2.gz RWUJKQNPVRBDJY-RAXLEYEMSA-N 0 1 383.456 0.805 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573628112 947745934 /nfs/dbraw/zinc/74/59/34/947745934.db2.gz ISPARCWXWYVXIB-OCCSQVGLSA-N 0 1 379.428 0.680 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573628212 947748606 /nfs/dbraw/zinc/74/86/06/947748606.db2.gz GKQTYHUOSAHBIB-SGTLLEGYSA-N 0 1 388.476 0.526 20 0 GCADMN C[C@@H](C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1cncn1 ZINC001573628722 947763280 /nfs/dbraw/zinc/76/32/80/947763280.db2.gz NSQJIINMLILOTN-QWHCGFSZSA-N 0 1 382.432 0.329 20 0 GCADMN CC(=O)CCCC(=O)N1CC[C@H](C)[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573368769 947768603 /nfs/dbraw/zinc/76/86/03/947768603.db2.gz OXLOUDUKQGSPFB-JSGCOSHPSA-N 0 1 386.460 0.734 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573373484 947794222 /nfs/dbraw/zinc/79/42/22/947794222.db2.gz JKCATGPLTUSLRZ-KBPBESRZSA-N 0 1 384.444 0.986 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573630743 947795361 /nfs/dbraw/zinc/79/53/61/947795361.db2.gz RWINQPHURJENLD-DGCLKSJQSA-N 0 1 382.432 0.019 20 0 GCADMN C[C@H](C(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573637367 947813546 /nfs/dbraw/zinc/81/35/46/947813546.db2.gz AHZVBMWTQDOVQN-CQSZACIVSA-N 0 1 381.444 0.754 20 0 GCADMN C[C@H](C(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cncn1 ZINC001573637916 947828320 /nfs/dbraw/zinc/82/83/20/947828320.db2.gz WDFOVMZHQAMQRL-CQSZACIVSA-N 0 1 381.444 0.754 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573638390 947837167 /nfs/dbraw/zinc/83/71/67/947837167.db2.gz MJKYPMOEQDKYLC-OCCSQVGLSA-N 0 1 381.444 0.624 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573640969 947854455 /nfs/dbraw/zinc/85/44/55/947854455.db2.gz KKFUWPIADZAYEJ-ZIAGYGMSSA-N 0 1 385.476 0.356 20 0 GCADMN C[C@H](C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573642977 947862936 /nfs/dbraw/zinc/86/29/36/947862936.db2.gz SAFVHTDVYQTIHL-GHMZBOCLSA-N 0 1 381.387 0.614 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(F)(F)F ZINC001573645972 947871938 /nfs/dbraw/zinc/87/19/38/947871938.db2.gz FKNCYUUWHTZOSZ-LPEHRKFASA-N 0 1 382.350 0.892 20 0 GCADMN C[C@@H](C(=O)N1C[C@@H](CNc2ccncc2-c2nn[nH]n2)[C@H](C)C1)n1cccn1 ZINC001573647069 947883293 /nfs/dbraw/zinc/88/32/93/947883293.db2.gz BKDDKBMAULBHPY-HZSPNIEDSA-N 0 1 381.444 0.648 20 0 GCADMN CC(=O)CCCC(=O)NC[C@@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573383518 947892391 /nfs/dbraw/zinc/89/23/91/947892391.db2.gz UWXFRSZHISVBNU-CQSZACIVSA-N 0 1 387.444 0.651 20 0 GCADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)c1ccco1 ZINC001573648190 947906572 /nfs/dbraw/zinc/90/65/72/947906572.db2.gz XRAVQPCNVBXBCF-UPJWGTAASA-N 0 1 380.412 0.948 20 0 GCADMN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573648185 947907071 /nfs/dbraw/zinc/90/70/71/947907071.db2.gz XPCZTGVCJDVNIC-NQBHXWOUSA-N 0 1 387.473 0.717 20 0 GCADMN C[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573648185 947907083 /nfs/dbraw/zinc/90/70/83/947907083.db2.gz XPCZTGVCJDVNIC-NQBHXWOUSA-N 0 1 387.473 0.717 20 0 GCADMN C[C@@H](C(=O)NC(C)(C)C)N(C)CCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573650256 947909248 /nfs/dbraw/zinc/90/92/48/947909248.db2.gz ABNKSGMSWPSHMX-LBPRGKRZSA-N 0 1 390.492 0.892 20 0 GCADMN C[C@@H](C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573651192 947918299 /nfs/dbraw/zinc/91/82/99/947918299.db2.gz JRTFOOIDRGJZIV-OUAUKWLOSA-N 0 1 376.421 0.740 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H](C)C1 ZINC001573388637 947920196 /nfs/dbraw/zinc/92/01/96/947920196.db2.gz NFYLWQVLPDIJOX-DGCLKSJQSA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H](C)C1 ZINC001573388637 947920200 /nfs/dbraw/zinc/92/02/00/947920200.db2.gz NFYLWQVLPDIJOX-DGCLKSJQSA-N 0 1 391.501 0.591 20 0 GCADMN C[C@H](C(=O)NC(C)(C)C)N(C)[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573651952 947925887 /nfs/dbraw/zinc/92/58/87/947925887.db2.gz RVKRBQKHMJWCIM-DGCLKSJQSA-N 0 1 388.476 0.644 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)C[C@@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001573389598 947926842 /nfs/dbraw/zinc/92/68/42/947926842.db2.gz 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CC(=O)N(C)CC(=O)N1CCC[C@@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573392629 947948684 /nfs/dbraw/zinc/94/86/84/947948684.db2.gz CMFGSHCXJKOSOH-TZMCWYRMSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573392703 947951202 /nfs/dbraw/zinc/95/12/02/947951202.db2.gz FOKPHHUTDUHNHS-SFHVURJKSA-N 0 1 384.444 0.169 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573394406 947963930 /nfs/dbraw/zinc/96/39/30/947963930.db2.gz SXWKJDFFUHCPFA-OCCSQVGLSA-N 0 1 386.460 0.119 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001573394431 947964152 /nfs/dbraw/zinc/96/41/52/947964152.db2.gz UDRPUHONTBOQMF-GXFFZTMASA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@@H]1C ZINC001573394431 947964156 /nfs/dbraw/zinc/96/41/56/947964156.db2.gz UDRPUHONTBOQMF-GXFFZTMASA-N 0 1 377.474 0.486 20 0 GCADMN 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CC(=O)N1CC(C(=O)N[C@@H]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001573419165 948121759 /nfs/dbraw/zinc/12/17/59/948121759.db2.gz KKPWVBFIROSKBR-QGZVFWFLSA-N 0 1 383.456 0.426 20 0 GCADMN CC(=O)N1CC(C(=O)NC2(CNc3ccncc3-c3nn[nH]n3)CCCC2)C1 ZINC001573419476 948123558 /nfs/dbraw/zinc/12/35/58/948123558.db2.gz MSFQKCNPXQDBOV-UHFFFAOYSA-N 0 1 384.444 0.003 20 0 GCADMN CC(=O)N1CC(C(=O)N2C[C@H]3CCN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)C1 ZINC001573419736 948126601 /nfs/dbraw/zinc/12/66/01/948126601.db2.gz QNDGTLCLWOLFAJ-KGLIPLIRSA-N 0 1 396.455 0.025 20 0 GCADMN C[C@@H](C(=O)NCC(=O)c1cccc(F)c1Cl)n1cnc(-c2nn[nH]n2)n1 ZINC001573677311 948133673 /nfs/dbraw/zinc/13/36/73/948133673.db2.gz CFCWETTVIMDBHR-ZETCQYMHSA-N 0 1 378.755 0.811 20 0 GCADMN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cncn1 ZINC001573677477 948137596 /nfs/dbraw/zinc/13/75/96/948137596.db2.gz AXHXFWXMOJPZOP-GWCFXTLKSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cncn1 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/nfs/dbraw/zinc/15/92/93/948159293.db2.gz JUCPYEWCYMDOLO-KGLIPLIRSA-N 0 1 387.492 0.862 20 0 GCADMN CC(=O)N1CCC(C(=O)N[C@H](C)CN(C)c2ccncc2-c2nn[nH]n2)CC1 ZINC001573430638 948177867 /nfs/dbraw/zinc/17/78/67/948177867.db2.gz SFMAHYSTLKZMRB-GFCCVEGCSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573680387 948178744 /nfs/dbraw/zinc/17/87/44/948178744.db2.gz NOTKEHXGLYYPEE-YUMQZZPRSA-N 0 1 378.380 0.693 20 0 GCADMN C[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573680386 948178899 /nfs/dbraw/zinc/17/88/99/948178899.db2.gz NOTKEHXGLYYPEE-SFYZADRCSA-N 0 1 378.380 0.693 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1nccnc1-c1nnn[n-]1 ZINC001573680945 948191458 /nfs/dbraw/zinc/19/14/58/948191458.db2.gz SSKXIHNSYQMNRF-KGLIPLIRSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1nccnc1-c1nn[n-]n1 ZINC001573680945 948191462 /nfs/dbraw/zinc/19/14/62/948191462.db2.gz SSKXIHNSYQMNRF-KGLIPLIRSA-N 0 1 387.492 0.862 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573434317 948213613 /nfs/dbraw/zinc/21/36/13/948213613.db2.gz QHUJGWAKDWQVTO-KPZWWZAWSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434652 948218103 /nfs/dbraw/zinc/21/81/03/948218103.db2.gz SBAXLAKRZZNMPJ-KPZWWZAWSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573435483 948229745 /nfs/dbraw/zinc/22/97/45/948229745.db2.gz XJMDYTSRVXAWIK-JCGVRSQUSA-N 0 1 384.444 0.001 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N[C@@H](C)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573435526 948230804 /nfs/dbraw/zinc/23/08/04/948230804.db2.gz YCAMAWIIHMXTBA-KPZWWZAWSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccccc1F ZINC001573690871 948232501 /nfs/dbraw/zinc/23/25/01/948232501.db2.gz FXFKCLLNVRUREA-NWDGAFQWSA-N 0 1 385.403 0.515 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NC[C@@H](C)N(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573435714 948233581 /nfs/dbraw/zinc/23/35/81/948233581.db2.gz ZUVMXEKTPNKURW-XIKOKIGWSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccn1 ZINC001573691090 948234097 /nfs/dbraw/zinc/23/40/97/948234097.db2.gz HLZUCCJMFRANKK-BXUZGUMPSA-N 0 1 388.407 0.030 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccc1 ZINC001573691162 948237025 /nfs/dbraw/zinc/23/70/25/948237025.db2.gz HZFYPYPWBCVFJF-WFASDCNBSA-N 0 1 387.419 0.635 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1cccnc1 ZINC001573691335 948240077 /nfs/dbraw/zinc/24/00/77/948240077.db2.gz FHLPCFLMFRBRPP-LBPRGKRZSA-N 0 1 379.428 0.728 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573439739 948251307 /nfs/dbraw/zinc/25/13/07/948251307.db2.gz QRMHYKGTTGQWLG-TZMCWYRMSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573439737 948251713 /nfs/dbraw/zinc/25/17/13/948251713.db2.gz QRMHYKGTTGQWLG-JSGCOSHPSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573439738 948252660 /nfs/dbraw/zinc/25/26/60/948252660.db2.gz QRMHYKGTTGQWLG-OCCSQVGLSA-N 0 1 386.460 0.249 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000826424862 948271351 /nfs/dbraw/zinc/27/13/51/948271351.db2.gz GZOBFHPIOYPOLO-BXKDBHETSA-N 0 1 376.327 0.071 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000826425201 948273660 /nfs/dbraw/zinc/27/36/60/948273660.db2.gz UBXVVZCTZRZZBO-CABZTGNLSA-N 0 1 376.327 0.071 20 0 GCADMN C[C@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C(C)(F)F ZINC001573693573 948282879 /nfs/dbraw/zinc/28/28/79/948282879.db2.gz AEIBMJRIABCJCV-RFAUZJTJSA-N 0 1 382.375 0.005 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1)C1CCC1 ZINC001573693709 948285556 /nfs/dbraw/zinc/28/55/56/948285556.db2.gz YJJRUZMMARWGID-LBPRGKRZSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](C(=O)NCC1(C)CCC2(CC1)OCCO2)n1cnc(-c2nn[nH]n2)n1 ZINC001573694415 948294710 /nfs/dbraw/zinc/29/47/10/948294710.db2.gz VJDGMBDLXTYPJK-LLVKDONJSA-N 0 1 376.421 0.459 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573442605 948294927 /nfs/dbraw/zinc/29/49/27/948294927.db2.gz IYBHFRSSZOIYLF-YPMHNXCESA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573442605 948294936 /nfs/dbraw/zinc/29/49/36/948294936.db2.gz IYBHFRSSZOIYLF-YPMHNXCESA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NCCN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573442965 948302323 /nfs/dbraw/zinc/30/23/23/948302323.db2.gz KVGZHTWCPNINNL-AWEZNQCLSA-N 0 1 386.460 0.381 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(F)(F)F ZINC001573696196 948320906 /nfs/dbraw/zinc/32/09/06/948320906.db2.gz LYTWXPRGPSPGTG-AATLWQCWSA-N 0 1 382.350 0.654 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573702015 948342689 /nfs/dbraw/zinc/34/26/89/948342689.db2.gz CNDZPCUQFWTMTM-CHWSQXEVSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001573703122 948352191 /nfs/dbraw/zinc/35/21/91/948352191.db2.gz IESJSYJITOCMHB-DGCLKSJQSA-N 0 1 382.432 0.279 20 0 GCADMN O=C1[C@H](N2CC[C@H](N3CCOCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476588 948382736 /nfs/dbraw/zinc/38/27/36/948382736.db2.gz KSQBWGFNLZCIIS-ZWKOTPCHSA-N 0 1 397.483 0.769 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573705088 948391490 /nfs/dbraw/zinc/39/14/90/948391490.db2.gz FSZLXZUGTQGNFN-NEPJUHHUSA-N 0 1 382.432 0.136 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573705092 948391959 /nfs/dbraw/zinc/39/19/59/948391959.db2.gz FSZLXZUGTQGNFN-NWDGAFQWSA-N 0 1 382.432 0.136 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573706248 948415317 /nfs/dbraw/zinc/41/53/17/948415317.db2.gz ZRXHQDAUQSYIJM-CHWSQXEVSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCC(=O)N1 ZINC001573706592 948421013 /nfs/dbraw/zinc/42/10/13/948421013.db2.gz JJMYPCQOYQXAEO-BLLLJJGKSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573707751 948438170 /nfs/dbraw/zinc/43/81/70/948438170.db2.gz PJHGBYLQGALGOD-ZDUSSCGKSA-N 0 1 381.444 0.840 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)n1cccc1 ZINC001573708107 948443533 /nfs/dbraw/zinc/44/35/33/948443533.db2.gz RPNIOPHGCQSZJY-STQMWFEESA-N 0 1 383.416 0.041 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)n1cccc1 ZINC001573708105 948443549 /nfs/dbraw/zinc/44/35/49/948443549.db2.gz RPNIOPHGCQSZJY-QWHCGFSZSA-N 0 1 383.416 0.041 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573708849 948460354 /nfs/dbraw/zinc/46/03/54/948460354.db2.gz XWCHRFYMTUDFKG-NEPJUHHUSA-N 0 1 384.400 0.375 20 0 GCADMN c1nc2cncc(N3CCN(c4oc(C5CC5)nc4-c4nn[nH]n4)CC3)n2n1 ZINC000826526783 948464952 /nfs/dbraw/zinc/46/49/52/948464952.db2.gz MICCIXYIZNOWRQ-UHFFFAOYSA-N 0 1 379.388 0.496 20 0 GCADMN C[C@@H](C(=O)NCCCN(c1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001573714674 948475114 /nfs/dbraw/zinc/47/51/14/948475114.db2.gz INMXOIGUVNWBNH-LBPRGKRZSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)C[C@@H]1NC(=O)C(F)(F)F ZINC001148929920 948484254 /nfs/dbraw/zinc/48/42/54/948484254.db2.gz XRPMXTFQABOAHK-KCJUWKMLSA-N 0 1 383.334 0.791 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C)n1cccc1 ZINC001573726282 948550463 /nfs/dbraw/zinc/55/04/63/948550463.db2.gz HTXSPAXXHSUPNC-HZSPNIEDSA-N 0 1 381.444 0.908 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CN(c2ccncc2-c2nn[nH]n2)C[C@H]1C)n1cccn1 ZINC001573728720 948564250 /nfs/dbraw/zinc/56/42/50/948564250.db2.gz QPYRGBIULGMMNA-HZSPNIEDSA-N 0 1 381.444 0.908 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)n1cncn1 ZINC001573732213 948601213 /nfs/dbraw/zinc/60/12/13/948601213.db2.gz MVCSPNWTTXUUJR-BQBZGAKWSA-N 0 1 382.841 0.746 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cncn1 ZINC001573736070 948613070 /nfs/dbraw/zinc/61/30/70/948613070.db2.gz GDWXTFUVQSDPBL-XJKSGUPXSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@H](C(=O)N[C@@H]1c2sccc2OC(C)(C)[C@H]1O)n1cnc(-c2nn[nH]n2)n1 ZINC001573739562 948620692 /nfs/dbraw/zinc/62/06/92/948620692.db2.gz FNYZUKNYIIBGMD-ZOFUNIGCSA-N 0 1 390.429 0.470 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C(C)(F)F ZINC001573739832 948623931 /nfs/dbraw/zinc/62/39/31/948623931.db2.gz BSYXKUNFXBDDEN-HONMWMINSA-N 0 1 380.399 0.819 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)c1cccs1 ZINC001573740071 948627599 /nfs/dbraw/zinc/62/75/99/948627599.db2.gz CZAPXLVCSIRHFM-AXFHLTTASA-N 0 1 386.441 0.188 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)C(F)(F)F ZINC001573740875 948644788 /nfs/dbraw/zinc/64/47/88/948644788.db2.gz PSNGXACARIJPAJ-WQAKAFBOSA-N 0 1 384.362 0.726 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)C(C)(F)F ZINC001573741110 948650132 /nfs/dbraw/zinc/65/01/32/948650132.db2.gz SMMGBTGJYVRFCA-LERXQTSPSA-N 0 1 380.399 0.819 20 0 GCADMN C[C@@H](C(=O)N[C@H](CC(N)=O)c1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573742571 948662959 /nfs/dbraw/zinc/66/29/59/948662959.db2.gz MKBFZQDXNBMFPL-GZMMTYOYSA-N 0 1 389.807 0.406 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573746803 948684110 /nfs/dbraw/zinc/68/41/10/948684110.db2.gz LFAXXTRZJRBUFM-HNCHTBHHSA-N 0 1 389.485 0.580 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@H]1CCC(=O)N1 ZINC001573746803 948684113 /nfs/dbraw/zinc/68/41/13/948684113.db2.gz LFAXXTRZJRBUFM-HNCHTBHHSA-N 0 1 389.485 0.580 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCCC1 ZINC001573746887 948688128 /nfs/dbraw/zinc/68/81/28/948688128.db2.gz MODAIBGBZFKECM-MCIONIFRSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573746887 948688132 /nfs/dbraw/zinc/68/81/32/948688132.db2.gz MODAIBGBZFKECM-MCIONIFRSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573752298 948712325 /nfs/dbraw/zinc/71/23/25/948712325.db2.gz MPRZMSFBTDCXSS-IHRRRGAJSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)n1cncn1 ZINC001573753633 948720499 /nfs/dbraw/zinc/72/04/99/948720499.db2.gz WKVREZUEMJKPBH-WUWHUORYSA-N 0 1 385.457 0.327 20 0 GCADMN C[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21)n1cncn1 ZINC001573753633 948720507 /nfs/dbraw/zinc/72/05/07/948720507.db2.gz WKVREZUEMJKPBH-WUWHUORYSA-N 0 1 385.457 0.327 20 0 GCADMN C[C@@H](C(=O)Nc1c[nH]nc1-c1nn[nH]n1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC001573754022 948725433 /nfs/dbraw/zinc/72/54/33/948725433.db2.gz AWNKPTYIHGGGAV-SECBINFHSA-N 0 1 390.429 0.582 20 0 GCADMN CC(C)c1ccc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574416398 948746173 /nfs/dbraw/zinc/74/61/73/948746173.db2.gz UETNZBIBOWAYQQ-CQSZACIVSA-N 0 1 382.428 0.405 20 0 GCADMN CC(F)(F)CC(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001575223499 948766873 /nfs/dbraw/zinc/76/68/73/948766873.db2.gz CAEWWPXEKDBNNL-BMIGLBTASA-N 0 1 378.387 0.987 20 0 GCADMN C[C@H](CCNc1cncc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001574679172 948771207 /nfs/dbraw/zinc/77/12/07/948771207.db2.gz POWZHQKCSWNGSD-NXEZZACHSA-N 0 1 383.420 0.202 20 0 GCADMN CC(F)(F)C1(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001575223970 948775074 /nfs/dbraw/zinc/77/50/74/948775074.db2.gz QZQHUTSXIUQJGT-SNVBAGLBSA-N 0 1 378.387 0.917 20 0 GCADMN CC(C)c1cccc(CN[C@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574420206 948794825 /nfs/dbraw/zinc/79/48/25/948794825.db2.gz QFZCQECXBXXJCU-AWEZNQCLSA-N 0 1 384.444 0.594 20 0 GCADMN CC(F)(F)C1(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@H]2O)CC1 ZINC001575224776 948795346 /nfs/dbraw/zinc/79/53/46/948795346.db2.gz YRZIFVYWAXGJLR-ZIAGYGMSSA-N 0 1 392.410 0.963 20 0 GCADMN CC(F)(F)CC(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575225278 948800532 /nfs/dbraw/zinc/80/05/32/948800532.db2.gz YMKVGUSCORKJOP-NSHDSACASA-N 0 1 381.387 0.758 20 0 GCADMN CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574420812 948804795 /nfs/dbraw/zinc/80/47/95/948804795.db2.gz ASVJCIVKZUTHDE-LLVKDONJSA-N 0 1 386.416 0.340 20 0 GCADMN CC(F)(F)CC(=O)N(CCO)CCNCc1cc(-c2nn[nH]n2)ccc1F ZINC001575225458 948805778 /nfs/dbraw/zinc/80/57/78/948805778.db2.gz CGELJSJQWCNGGZ-UHFFFAOYSA-N 0 1 386.378 0.962 20 0 GCADMN C[C@@H](CNC(=O)CCc1ccn(C)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917518 948823400 /nfs/dbraw/zinc/82/34/00/948823400.db2.gz ZFQDLSILZZTCMU-LBPRGKRZSA-N 0 1 386.435 0.966 20 0 GCADMN C[C@H](C(=O)Nc1ccccc1CS(C)(=O)=O)n1cnc(-c2nn[nH]n2)n1 ZINC001573756877 948825126 /nfs/dbraw/zinc/82/51/26/948825126.db2.gz VEQVKZSTFRBLMQ-SECBINFHSA-N 0 1 376.402 0.203 20 0 GCADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1cncc(-c2nnn[n-]2)n1 ZINC001574917790 948828442 /nfs/dbraw/zinc/82/84/42/948828442.db2.gz BPPJAPLRYLSMTM-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)N(C)c1cncc(-c2nn[n-]n2)n1 ZINC001574917790 948828463 /nfs/dbraw/zinc/82/84/63/948828463.db2.gz BPPJAPLRYLSMTM-AWEZNQCLSA-N 0 1 387.492 0.864 20 0 GCADMN C[C@@H](CNC(=O)CCCNC(=O)C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574917979 948830801 /nfs/dbraw/zinc/83/08/01/948830801.db2.gz DWQLDXGHVSIGEP-LBPRGKRZSA-N 0 1 388.476 0.543 20 0 GCADMN C[C@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574918346 948846255 /nfs/dbraw/zinc/84/62/55/948846255.db2.gz JKNRLQGTNQKXQN-LLVKDONJSA-N 0 1 381.462 0.027 20 0 GCADMN CC(C)c1nc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cs1 ZINC001574424334 948848102 /nfs/dbraw/zinc/84/81/02/948848102.db2.gz KWVVBMPQJMIOCS-SNVBAGLBSA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684379 948864660 /nfs/dbraw/zinc/86/46/60/948864660.db2.gz DZHWLTQWTMJMHS-RNFRBKRXSA-N 0 1 384.853 0.562 20 0 GCADMN CC(C)c1nc(CN2CC[C@H]2CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001574425280 948870389 /nfs/dbraw/zinc/87/03/89/948870389.db2.gz BXHFUZSLIGRYMV-LBPRGKRZSA-N 0 1 384.448 0.783 20 0 GCADMN CC(C)c1nc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001574425307 948872575 /nfs/dbraw/zinc/87/25/75/948872575.db2.gz CINHIJLYHURFPO-GFCCVEGCSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1nc(CN2CC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)n[nH]1 ZINC001574426885 948890567 /nfs/dbraw/zinc/89/05/67/948890567.db2.gz VMNDSLUUDGOPAO-PWSUYJOCSA-N 0 1 384.448 0.829 20 0 GCADMN CC(C)c1nc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n[nH]1 ZINC001574426997 948895673 /nfs/dbraw/zinc/89/56/73/948895673.db2.gz XKXGBYKNLHJBQT-YABSGUDNSA-N 0 1 382.432 0.297 20 0 GCADMN CC(C)c1nc(CN2CCC[C@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n[nH]1 ZINC001574426934 948896575 /nfs/dbraw/zinc/89/65/75/948896575.db2.gz XCASNQSUTKZQHW-LBPRGKRZSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1nc(CN2CC[C@@](C)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001574426939 948896780 /nfs/dbraw/zinc/89/67/80/948896780.db2.gz XCLIQAXUOVIJRT-QGZVFWFLSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1ncc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)s1 ZINC001574427182 948899881 /nfs/dbraw/zinc/89/98/81/948899881.db2.gz BDBIPDPZPVMYHB-SNVBAGLBSA-N 0 1 388.457 0.466 20 0 GCADMN CC(C)c1nnc(CN[C@H]2C[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)[nH]1 ZINC001574427730 948909417 /nfs/dbraw/zinc/90/94/17/948909417.db2.gz MLOFCXWFMJRUKA-XYPYZODXSA-N 0 1 384.448 0.735 20 0 GCADMN CC(C)(C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573765488 948912513 /nfs/dbraw/zinc/91/25/13/948912513.db2.gz KGFVASOWCUMVMT-ZDUSSCGKSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)(C(=O)N1CCCN(c2nccnc2-c2nnn[n-]2)CC1)[NH+]1CCCC1 ZINC001573765660 948920223 /nfs/dbraw/zinc/92/02/23/948920223.db2.gz WBJIHDBCRKIPNM-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)(C(=O)N1CCCN(c2nccnc2-c2nn[n-]n2)CC1)[NH+]1CCCC1 ZINC001573765660 948920228 /nfs/dbraw/zinc/92/02/28/948920228.db2.gz WBJIHDBCRKIPNM-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)c1ncsc1C(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574432821 948941120 /nfs/dbraw/zinc/94/11/20/948941120.db2.gz DVBLWXRRDVZXIE-SNVBAGLBSA-N 0 1 388.457 0.466 20 0 GCADMN CC(F)(F)CCC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575237281 948944288 /nfs/dbraw/zinc/94/42/88/948944288.db2.gz DJUYRVDFHXEKHV-OAHLLOKOSA-N 0 1 382.375 0.150 20 0 GCADMN CC(C)(C(=O)N[C@H](CNc1nccnc1-c1nnn[n-]1)C1CC1)[NH+]1CCCC1 ZINC001573771835 948946257 /nfs/dbraw/zinc/94/62/57/948946257.db2.gz MDWVSJLJJKUBFT-CYBMUJFWSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)N[C@H](CNc1nccnc1-c1nn[n-]n1)C1CC1)[NH+]1CCCC1 ZINC001573771835 948946271 /nfs/dbraw/zinc/94/62/71/948946271.db2.gz MDWVSJLJJKUBFT-CYBMUJFWSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CNC(=O)CCn1cncn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923538 948951503 /nfs/dbraw/zinc/95/15/03/948951503.db2.gz PGNCKWYJYCQIEA-LBPRGKRZSA-N 0 1 387.423 0.624 20 0 GCADMN CC(C)(C(=O)NC1CC(CNc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573772575 948961300 /nfs/dbraw/zinc/96/13/00/948961300.db2.gz VJVQROCJWCHIJQ-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574923933 948964225 /nfs/dbraw/zinc/96/42/25/948964225.db2.gz UKZFGXVQKQNQSC-LLVKDONJSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H](CNC(=O)CCn1ccnn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574924095 948966319 /nfs/dbraw/zinc/96/63/19/948966319.db2.gz VWWLEYZULQWIAO-LBPRGKRZSA-N 0 1 387.423 0.624 20 0 GCADMN C[C@@H](CNC(=O)CCn1cc(Cl)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574924284 948970730 /nfs/dbraw/zinc/97/07/30/948970730.db2.gz YSMBAWUXGYAAKW-JTQLQIEISA-N 0 1 375.824 0.540 20 0 GCADMN C[C@H](CNC(=O)CN1CCCNC1=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574925466 948972727 /nfs/dbraw/zinc/97/27/27/948972727.db2.gz ADLYEQIAFGRCPE-LLVKDONJSA-N 0 1 392.489 0.280 20 0 GCADMN C[C@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574925466 948972740 /nfs/dbraw/zinc/97/27/40/948972740.db2.gz ADLYEQIAFGRCPE-LLVKDONJSA-N 0 1 392.489 0.280 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574688872 948973569 /nfs/dbraw/zinc/97/35/69/948973569.db2.gz BCSDMBBDVHBVON-ZDUSSCGKSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574688872 948973575 /nfs/dbraw/zinc/97/35/75/948973575.db2.gz BCSDMBBDVHBVON-ZDUSSCGKSA-N 0 1 385.476 0.839 20 0 GCADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)C1CCOCC1 ZINC001573773129 948976553 /nfs/dbraw/zinc/97/65/53/948976553.db2.gz HTSNINBYQHANLQ-CYBMUJFWSA-N 0 1 389.460 0.025 20 0 GCADMN CC(C)c1nnnn1CC(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574435418 948993285 /nfs/dbraw/zinc/99/32/85/948993285.db2.gz UVULQRUCRBSUKU-NSHDSACASA-N 0 1 385.436 0.013 20 0 GCADMN C[C@H](CNC(=O)CN(C)c1ccccc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574926414 948998985 /nfs/dbraw/zinc/99/89/85/948998985.db2.gz PTTHAORZLKGWPL-AWEZNQCLSA-N 0 1 380.456 0.984 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)[NH+]1CCCC1 ZINC001573774303 949003435 /nfs/dbraw/zinc/00/34/35/949003435.db2.gz MDPZZCJWRJULTJ-ZDUSSCGKSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)[NH+]1CCCC1 ZINC001573774303 949003449 /nfs/dbraw/zinc/00/34/49/949003449.db2.gz MDPZZCJWRJULTJ-ZDUSSCGKSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1cncc(-c2nnn[n-]2)n1)C1CC1)[NH+]1CCCC1 ZINC001573774301 949004314 /nfs/dbraw/zinc/00/43/14/949004314.db2.gz MDPZZCJWRJULTJ-CYBMUJFWSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1cncc(-c2nn[n-]n2)n1)C1CC1)[NH+]1CCCC1 ZINC001573774301 949004329 /nfs/dbraw/zinc/00/43/29/949004329.db2.gz MDPZZCJWRJULTJ-CYBMUJFWSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926503 949006990 /nfs/dbraw/zinc/00/69/90/949006990.db2.gz SQZOTRYKEKJJAL-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926503 949007006 /nfs/dbraw/zinc/00/70/06/949007006.db2.gz SQZOTRYKEKJJAL-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001573774520 949014345 /nfs/dbraw/zinc/01/43/45/949014345.db2.gz UBDGGZHLUAGHFC-ZDUSSCGKSA-N 0 1 388.476 0.574 20 0 GCADMN CC(C)c1nnsc1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574440474 949027846 /nfs/dbraw/zinc/02/78/46/949027846.db2.gz PMCGBYRZGNRPAX-VIFPVBQESA-N 0 1 388.461 0.886 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C1CC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574926965 949029078 /nfs/dbraw/zinc/02/90/78/949029078.db2.gz DNKADNVEESLAIL-ZCFIWIBFSA-N 0 1 384.853 0.419 20 0 GCADMN CC(C)c1nnsc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574440896 949042323 /nfs/dbraw/zinc/04/23/23/949042323.db2.gz YJNWHNZQNMDFKO-VIFPVBQESA-N 0 1 386.445 0.380 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1nccnc1-c1nnn[n-]1)C1CC1)[NH+]1CCCC1 ZINC001573775481 949046286 /nfs/dbraw/zinc/04/62/86/949046286.db2.gz XKNRKXQXFQHXTH-ZDUSSCGKSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NC[C@H](Nc1nccnc1-c1nn[n-]n1)C1CC1)[NH+]1CCCC1 ZINC001573775481 949046305 /nfs/dbraw/zinc/04/63/05/949046305.db2.gz XKNRKXQXFQHXTH-ZDUSSCGKSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)[C@@H]1C[C@@H](C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001574092296 949056639 /nfs/dbraw/zinc/05/66/39/949056639.db2.gz NNWSGKHEFVRJID-STQMWFEESA-N 0 1 386.460 0.591 20 0 GCADMN CC(C)[C@@H]1C[C@H]1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574092456 949057760 /nfs/dbraw/zinc/05/77/60/949057760.db2.gz RJHIBQIDZMLMEZ-QWHCGFSZSA-N 0 1 386.460 0.396 20 0 GCADMN CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574092458 949062182 /nfs/dbraw/zinc/06/21/82/949062182.db2.gz RJHIBQIDZMLMEZ-STQMWFEESA-N 0 1 386.460 0.396 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001573779501 949063721 /nfs/dbraw/zinc/06/37/21/949063721.db2.gz KDCZGRZSEGMMTO-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573779501 949063740 /nfs/dbraw/zinc/06/37/40/949063740.db2.gz KDCZGRZSEGMMTO-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](NC(=O)C(C)(C)C(N)=O)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575248175 949064828 /nfs/dbraw/zinc/06/48/28/949064828.db2.gz PABKZPPNECHJLV-VIFPVBQESA-N 0 1 377.474 0.376 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C ZINC001575248418 949068490 /nfs/dbraw/zinc/06/84/90/949068490.db2.gz RQBSXDJOGSHYEW-NEPJUHHUSA-N 0 1 388.476 0.493 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)N1CCCC1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574928944 949069225 /nfs/dbraw/zinc/06/92/25/949069225.db2.gz UDDQIZWFICFGRS-LBPRGKRZSA-N 0 1 387.448 0.008 20 0 GCADMN CC(C)[C@@H]1C[C@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001574092606 949071931 /nfs/dbraw/zinc/07/19/31/949071931.db2.gz OYAVFQWPGHNFHH-QWHCGFSZSA-N 0 1 386.460 0.448 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574441943 949084747 /nfs/dbraw/zinc/08/47/47/949084747.db2.gz GPELEMSDDOUPBK-JTQLQIEISA-N 0 1 391.457 0.920 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)NC(=O)C(C)(C)C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575249273 949092985 /nfs/dbraw/zinc/09/29/85/949092985.db2.gz YSVUBKBQMRFVED-NEPJUHHUSA-N 0 1 388.476 0.753 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574442462 949098693 /nfs/dbraw/zinc/09/86/93/949098693.db2.gz PQGQLULMOZKAKH-LBPRGKRZSA-N 0 1 383.416 0.811 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575249671 949101888 /nfs/dbraw/zinc/10/18/88/949101888.db2.gz ZYLSZCPCQIZELN-NEPJUHHUSA-N 0 1 386.460 0.247 20 0 GCADMN CC(C)c1nocc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574443175 949105331 /nfs/dbraw/zinc/10/53/31/949105331.db2.gz VQRMHQGXTLCFJT-ZYHUDNBSSA-N 0 1 383.416 0.763 20 0 GCADMN CC(C)c1nocc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001574443441 949106992 /nfs/dbraw/zinc/10/69/92/949106992.db2.gz YHKGKWGXMJTQPS-QWRGUYRKSA-N 0 1 381.400 0.871 20 0 GCADMN C[C@H](NC(=O)[C@H](C)n1cncn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575250321 949111653 /nfs/dbraw/zinc/11/16/53/949111653.db2.gz DRHDUISALRWWMC-QWRGUYRKSA-N 0 1 387.473 0.717 20 0 GCADMN C[C@@H](CNC(=O)COC[C@H]1CCCO1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574931104 949113725 /nfs/dbraw/zinc/11/37/25/949113725.db2.gz NLSJWLHSGXFTSY-QWHCGFSZSA-N 0 1 375.433 0.398 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C(F)F ZINC001573782345 949120605 /nfs/dbraw/zinc/12/06/05/949120605.db2.gz SIHXLWVLZDYPJI-SECBINFHSA-N 0 1 382.375 0.269 20 0 GCADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(F)(F)F ZINC001573786861 949150411 /nfs/dbraw/zinc/15/04/11/949150411.db2.gz GKLYCMBTDKIOAQ-MBTKJCJQSA-N 0 1 382.350 0.796 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001575251973 949151357 /nfs/dbraw/zinc/15/13/57/949151357.db2.gz DCOYACQCOPQEHU-QWHCGFSZSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575251973 949151379 /nfs/dbraw/zinc/15/13/79/949151379.db2.gz DCOYACQCOPQEHU-QWHCGFSZSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574697757 949160161 /nfs/dbraw/zinc/16/01/61/949160161.db2.gz BOOVUXHUQGRMHS-QWRGUYRKSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@@H](Nc1nccnc1-c1nn[n-]n1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575252458 949164038 /nfs/dbraw/zinc/16/40/38/949164038.db2.gz GHKINOMPFUIEMQ-OLZOCXBDSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CNC(=O)COc1ccc(F)cc1F)Nc1ccncc1-c1nn[nH]n1 ZINC001574934498 949163935 /nfs/dbraw/zinc/16/39/35/949163935.db2.gz JOJBHXLYWYRRPA-JTQLQIEISA-N 0 1 389.366 0.957 20 0 GCADMN C[C@@H](Nc1nccnc1-c1nnn[n-]1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575252458 949164029 /nfs/dbraw/zinc/16/40/29/949164029.db2.gz GHKINOMPFUIEMQ-OLZOCXBDSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574697908 949168046 /nfs/dbraw/zinc/16/80/46/949168046.db2.gz DCFALJWAIDLCGT-MNOVXSKESA-N 0 1 385.432 0.373 20 0 GCADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nnn[n-]3)C[C@H]21)[NH+]1CCCC1 ZINC001573787125 949168463 /nfs/dbraw/zinc/16/84/63/949168463.db2.gz MMKCFVHGXMDGQF-ITGUQSILSA-N 0 1 383.460 0.082 20 0 GCADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3nccnc3-c3nn[n-]n3)C[C@H]21)[NH+]1CCCC1 ZINC001573787125 949168470 /nfs/dbraw/zinc/16/84/70/949168470.db2.gz MMKCFVHGXMDGQF-ITGUQSILSA-N 0 1 383.460 0.082 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C1CCCC1 ZINC001573787242 949170175 /nfs/dbraw/zinc/17/01/75/949170175.db2.gz ROZKVYRTGNVXSS-CHWSQXEVSA-N 0 1 386.460 0.539 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)Cc1cnc[nH]1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574698009 949171421 /nfs/dbraw/zinc/17/14/21/949171421.db2.gz FDKHKFVRLRYJER-GHMZBOCLSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@@H](CNC(=O)COc1ccc(F)c(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574934636 949172874 /nfs/dbraw/zinc/17/28/74/949172874.db2.gz MUOFVGPMWJNTOP-JTQLQIEISA-N 0 1 389.366 0.957 20 0 GCADMN CC(C)c1oncc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574448007 949174820 /nfs/dbraw/zinc/17/48/20/949174820.db2.gz BDULJELCKFEICH-LLVKDONJSA-N 0 1 383.416 0.907 20 0 GCADMN C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574934760 949176159 /nfs/dbraw/zinc/17/61/59/949176159.db2.gz QAJLCWHJWUVFDF-JTQLQIEISA-N 0 1 389.366 0.957 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698187 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FSUCTUXCPAVGGK-FZKQIMNGSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@H](NC(=O)C1(c2cccnc2)CC1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575254700 949212047 /nfs/dbraw/zinc/21/20/47/949212047.db2.gz ODJHBLMWFLMJLO-RYUDHWBXSA-N 0 1 379.428 0.511 20 0 GCADMN C[C@@H](CNC(=O)Cc1c[nH]c2cnccc12)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574936133 949211964 /nfs/dbraw/zinc/21/19/64/949211964.db2.gz HOWPUQYMDJCRHL-LLVKDONJSA-N 0 1 392.427 0.362 20 0 GCADMN CC(C)(C(N)=O)C(=O)N1CC[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573788796 949215893 /nfs/dbraw/zinc/21/58/93/949215893.db2.gz XZJKCHASRFKIGN-LURJTMIESA-N 0 1 384.853 0.501 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)Cc2cscn2)CC1 ZINC001575853882 949219347 /nfs/dbraw/zinc/21/93/47/949219347.db2.gz OHLAROZODXRWCR-UHFFFAOYSA-N 0 1 385.457 0.571 20 0 GCADMN CC(C)c1oncc1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574451249 949220328 /nfs/dbraw/zinc/22/03/28/949220328.db2.gz IFPMXYDDRGPBDB-JTQLQIEISA-N 0 1 391.457 0.920 20 0 GCADMN 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ZINC001574452868 949269077 /nfs/dbraw/zinc/26/90/77/949269077.db2.gz OYBFTMMWJOLOQF-CYBMUJFWSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575257298 949272299 /nfs/dbraw/zinc/27/22/99/949272299.db2.gz ZNKXJOZOAKTITM-STQMWFEESA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575257298 949272319 /nfs/dbraw/zinc/27/23/19/949272319.db2.gz ZNKXJOZOAKTITM-STQMWFEESA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)n1cc(Br)c(C(=O)NCCn2cnc(-c3nn[nH]n3)n2)n1 ZINC001574452984 949275582 /nfs/dbraw/zinc/27/55/82/949275582.db2.gz UKTIYPWYRVFAJZ-UHFFFAOYSA-N 0 1 395.225 0.428 20 0 GCADMN CC(C)n1cc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574453205 949286499 /nfs/dbraw/zinc/28/64/99/949286499.db2.gz ZLAVXRGVAJYIDW-QGZVFWFLSA-N 0 1 382.432 0.833 20 0 GCADMN C[C@@H](CNC(=O)Cc1cn(C)c2ccccc12)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574941177 949294852 /nfs/dbraw/zinc/29/48/52/949294852.db2.gz BLAHUGHJMITPFM-LBPRGKRZSA-N 0 1 391.439 0.730 20 0 GCADMN CC(C)(C)C(=O)C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573793502 949298400 /nfs/dbraw/zinc/29/84/00/949298400.db2.gz SHUHNVDPSDYWSN-GFCCVEGCSA-N 0 1 387.444 0.328 20 0 GCADMN CC(C)n1cc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)cn1 ZINC001574455766 949308631 /nfs/dbraw/zinc/30/86/31/949308631.db2.gz XFAQKJWSORUTGK-IMRBUKKESA-N 0 1 380.416 0.299 20 0 GCADMN CC1(C(=O)N(CCO)CCNc2ccncc2-c2nn[nH]n2)CC(F)(F)C1 ZINC001575524420 949315111 /nfs/dbraw/zinc/31/51/11/949315111.db2.gz IKOLZGVINZECNN-UHFFFAOYSA-N 0 1 381.387 0.352 20 0 GCADMN CC(C)n1ccc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574457234 949318691 /nfs/dbraw/zinc/31/86/91/949318691.db2.gz CXNMCETUYPEWGK-LBPRGKRZSA-N 0 1 382.432 0.785 20 0 GCADMN C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574942096 949332948 /nfs/dbraw/zinc/33/29/48/949332948.db2.gz VOWYLHIEFZLMBY-GFCCVEGCSA-N 0 1 379.424 0.873 20 0 GCADMN CC(C)CC(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574109894 949340570 /nfs/dbraw/zinc/34/05/70/949340570.db2.gz IOVMAXXYXIUIMW-NXEZZACHSA-N 0 1 384.366 0.926 20 0 GCADMN C[C@H](CN(C)C(=O)C1(c2ccccn2)CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574703729 949346202 /nfs/dbraw/zinc/34/62/02/949346202.db2.gz XIPDYOFEPRBBKJ-GFCCVEGCSA-N 0 1 379.428 0.464 20 0 GCADMN CC(C)n1ccc(CNC[C@H](O)CN(C)C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001574459334 949350578 /nfs/dbraw/zinc/35/05/78/949350578.db2.gz BAKFJVDFUIYCGJ-AWEZNQCLSA-N 0 1 387.448 0.195 20 0 GCADMN C[C@H](CNC(=O)Cc1cc[nH]n1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942695 949366894 /nfs/dbraw/zinc/36/68/94/949366894.db2.gz REZXEASBWAXRNB-SSDOTTSWSA-N 0 1 381.853 0.883 20 0 GCADMN CC(C)n1ccc(CNC[C@@H](O)CN(C)C(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574459841 949367274 /nfs/dbraw/zinc/36/72/74/949367274.db2.gz MHKLBBNWCVTCSH-CQSZACIVSA-N 0 1 387.448 0.195 20 0 GCADMN CC(C)n1ccc(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1 ZINC001574460161 949371983 /nfs/dbraw/zinc/37/19/83/949371983.db2.gz REPMRKGPJVXQNM-OCCSQVGLSA-N 0 1 396.459 0.760 20 0 GCADMN CC(C)n1cccc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001574463812 949381282 /nfs/dbraw/zinc/38/12/82/949381282.db2.gz BLHBALCJSFTEFY-DGCLKSJQSA-N 0 1 383.416 0.019 20 0 GCADMN C[C@H](CNC(=O)Cc1nnc[nH]1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574944817 949400383 /nfs/dbraw/zinc/40/03/83/949400383.db2.gz GTQCBLSRWPMRJJ-MRVPVSSYSA-N 0 1 376.812 0.217 20 0 GCADMN CC(C)n1cnc(C(=O)N2C[C@@H]3C[C@H]2CN3c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574464300 949405398 /nfs/dbraw/zinc/40/53/98/949405398.db2.gz JGRRPFGJNZDQJJ-RYUDHWBXSA-N 0 1 380.416 0.537 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)CCCOC1 ZINC001575528673 949408127 /nfs/dbraw/zinc/40/81/27/949408127.db2.gz ZJKYQUYOAFGFEF-FHSNZYRGSA-N 0 1 384.444 0.653 20 0 GCADMN CC1(C(=O)N2CCC(N(CCO)c3ccnc(-c4nn[nH]n4)n3)CC2)CCC1 ZINC001575532900 949412436 /nfs/dbraw/zinc/41/24/36/949412436.db2.gz CJXXVSZVBCZCDS-UHFFFAOYSA-N 0 1 386.460 0.637 20 0 GCADMN C[C@H](NC(=O)C1CCOCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575264796 949435088 /nfs/dbraw/zinc/43/50/88/949435088.db2.gz QODRBXJDFNOUAC-JSGCOSHPSA-N 0 1 386.460 0.804 20 0 GCADMN CC(C)n1cnc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574465546 949437239 /nfs/dbraw/zinc/43/72/39/949437239.db2.gz ZZSMPZHEIHOJIC-LBPRGKRZSA-N 0 1 382.432 0.785 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CCNC(=O)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575265245 949444262 /nfs/dbraw/zinc/44/42/62/949444262.db2.gz SMYSXDSVWKEHQZ-SWLSCSKDSA-N 0 1 383.456 0.329 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573803444 949445361 /nfs/dbraw/zinc/44/53/61/949445361.db2.gz OWINBNCUBGWSKN-PHIMTYICSA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573803444 949445367 /nfs/dbraw/zinc/44/53/67/949445367.db2.gz OWINBNCUBGWSKN-PHIMTYICSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@@H](CNC(=O)Cn1ccnc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574948396 949461841 /nfs/dbraw/zinc/46/18/41/949461841.db2.gz IMZWTAKTLJJKLH-QMMMGPOBSA-N 0 1 381.853 0.814 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575536021 949462255 /nfs/dbraw/zinc/46/22/55/949462255.db2.gz DBONRSDFPBYCSG-PIGZYNQJSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCC(=O)NC1 ZINC001575536021 949462271 /nfs/dbraw/zinc/46/22/71/949462271.db2.gz DBONRSDFPBYCSG-PIGZYNQJSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575536020 949463061 /nfs/dbraw/zinc/46/30/61/949463061.db2.gz DBONRSDFPBYCSG-GTNSWQLSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCC(=O)NC1 ZINC001575536020 949463079 /nfs/dbraw/zinc/46/30/79/949463079.db2.gz DBONRSDFPBYCSG-GTNSWQLSSA-N 0 1 389.485 0.535 20 0 GCADMN CC(C)n1nccc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574469120 949471312 /nfs/dbraw/zinc/47/13/12/949471312.db2.gz WWVCISHLXHLPAQ-GFCCVEGCSA-N 0 1 382.432 0.573 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573804634 949476057 /nfs/dbraw/zinc/47/60/57/949476057.db2.gz YPTABGDIRYVYPT-UHFFFAOYSA-N 0 1 385.472 0.577 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(C2CC2)cn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574949105 949482222 /nfs/dbraw/zinc/48/22/22/949482222.db2.gz QSHVKLWNXBEKBK-LLVKDONJSA-N 0 1 382.432 0.372 20 0 GCADMN CC(C)CC(=O)NCCC(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574118006 949488888 /nfs/dbraw/zinc/48/88/88/949488888.db2.gz CPUDWZABUCDECQ-ZDUSSCGKSA-N 0 1 388.476 0.755 20 0 GCADMN CC(C)n1ncnc1CN[C@H]1C[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001574470355 949492978 /nfs/dbraw/zinc/49/29/78/949492978.db2.gz BGUXDMXZTISWEV-BJHJDKERSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@H]1CCCC[C@@]1(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CC(N)=O ZINC001576158993 949512860 /nfs/dbraw/zinc/51/28/60/949512860.db2.gz VORZZUSKCDMUME-GTNSWQLSSA-N 0 1 391.501 0.958 20 0 GCADMN C[C@H]1CCCC[C@@]1(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CC(N)=O ZINC001576158993 949512876 /nfs/dbraw/zinc/51/28/76/949512876.db2.gz VORZZUSKCDMUME-GTNSWQLSSA-N 0 1 391.501 0.958 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCc2cccnc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574710889 949515412 /nfs/dbraw/zinc/51/54/12/949515412.db2.gz BSOCERGJRKFBHY-WCQYABFASA-N 0 1 379.428 0.462 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574121496 949517207 /nfs/dbraw/zinc/51/72/07/949517207.db2.gz RLWVUXDQIPDRKD-UHFFFAOYSA-N 0 1 389.464 0.104 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871647 949517775 /nfs/dbraw/zinc/51/77/75/949517775.db2.gz BTAMIVYQCRVOBP-QWHCGFSZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871647 949517789 /nfs/dbraw/zinc/51/77/89/949517789.db2.gz BTAMIVYQCRVOBP-QWHCGFSZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575871751 949519487 /nfs/dbraw/zinc/51/94/87/949519487.db2.gz BXLUDFYXSKTYEM-GXTWGEPZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575871751 949519501 /nfs/dbraw/zinc/51/95/01/949519501.db2.gz BXLUDFYXSKTYEM-GXTWGEPZSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)CC[NH+](C)C ZINC001576159463 949520405 /nfs/dbraw/zinc/52/04/05/949520405.db2.gz XJTWROLGKNERAU-SCLBCKFNSA-N 0 1 387.492 0.507 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871643 949521084 /nfs/dbraw/zinc/52/10/84/949521084.db2.gz BTAMIVYQCRVOBP-CHWSQXEVSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871643 949521100 /nfs/dbraw/zinc/52/11/00/949521100.db2.gz BTAMIVYQCRVOBP-CHWSQXEVSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](NC(=O)C[C@H]1CCNC1=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268518 949522529 /nfs/dbraw/zinc/52/25/29/949522529.db2.gz NGHSKMRROOCLBP-SWLSCSKDSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1COCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711150 949525426 /nfs/dbraw/zinc/52/54/26/949525426.db2.gz DSSIXDONTZYXOE-IAQYHMDHSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871969 949527417 /nfs/dbraw/zinc/52/74/17/949527417.db2.gz DFTZXEGANKSEIT-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871969 949527435 /nfs/dbraw/zinc/52/74/35/949527435.db2.gz DFTZXEGANKSEIT-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574471088 949529298 /nfs/dbraw/zinc/52/92/98/949529298.db2.gz IVHOKZNLMCRRGR-WDEREUQCSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@@H]1CCCN(C(=O)CC2(O)CCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163388 949530413 /nfs/dbraw/zinc/53/04/13/949530413.db2.gz ASGNGILJACCBLN-CHWSQXEVSA-N 0 1 386.460 0.423 20 0 GCADMN C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574471271 949533566 /nfs/dbraw/zinc/53/35/66/949533566.db2.gz LCYDJSWLYCNKRC-GHMZBOCLSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574471271 949533577 /nfs/dbraw/zinc/53/35/77/949533577.db2.gz LCYDJSWLYCNKRC-GHMZBOCLSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872052 949533872 /nfs/dbraw/zinc/53/38/72/949533872.db2.gz FPGZREHNXSKVRU-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872052 949533887 /nfs/dbraw/zinc/53/38/87/949533887.db2.gz FPGZREHNXSKVRU-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CC2OCCCO2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872213 949545327 /nfs/dbraw/zinc/54/53/27/949545327.db2.gz HOYNHOFCGAIVCU-NEPJUHHUSA-N 0 1 388.432 0.283 20 0 GCADMN C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574472225 949545561 /nfs/dbraw/zinc/54/55/61/949545561.db2.gz SJJUBCVBAAFANJ-KPPDAEKUSA-N 0 1 392.489 0.454 20 0 GCADMN C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574472225 949545569 /nfs/dbraw/zinc/54/55/69/949545569.db2.gz SJJUBCVBAAFANJ-KPPDAEKUSA-N 0 1 392.489 0.454 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711844 949559136 /nfs/dbraw/zinc/55/91/36/949559136.db2.gz NCGRSPQQVNODBB-YPMHNXCESA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576165376 949567794 /nfs/dbraw/zinc/56/77/94/949567794.db2.gz JXEROZMTZKCQOT-YIYPIFLZSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@H]1CCCN(C(=O)C2=COCCC2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166674 949588366 /nfs/dbraw/zinc/58/83/66/949588366.db2.gz NISBLUXKQZNCBJ-GXTWGEPZSA-N 0 1 384.444 0.812 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873979 949595631 /nfs/dbraw/zinc/59/56/31/949595631.db2.gz DCXYWMQIMFJOSU-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575873979 949595638 /nfs/dbraw/zinc/59/56/38/949595638.db2.gz DCXYWMQIMFJOSU-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125852 949596132 /nfs/dbraw/zinc/59/61/32/949596132.db2.gz UJRBTRIFDXZZFR-OLZOCXBDSA-N 0 1 384.448 0.479 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874316 949610212 /nfs/dbraw/zinc/61/02/12/949610212.db2.gz FXNNJZNWOVNYAF-FZMZJTMJSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2cnn[nH]2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575874316 949610226 /nfs/dbraw/zinc/61/02/26/949610226.db2.gz FXNNJZNWOVNYAF-FZMZJTMJSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCNC1=O ZINC001575546835 949613228 /nfs/dbraw/zinc/61/32/28/949613228.db2.gz SALQLWPLBQTXPF-GTNSWQLSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCNC1=O ZINC001575546835 949613242 /nfs/dbraw/zinc/61/32/42/949613242.db2.gz SALQLWPLBQTXPF-GTNSWQLSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574713898 949613454 /nfs/dbraw/zinc/61/34/54/949613454.db2.gz ZAUBEFARSJLZQB-ZANVPECISA-N 0 1 377.380 0.051 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576168040 949625073 /nfs/dbraw/zinc/62/50/73/949625073.db2.gz BGXWJYAGMQMUQD-SMDDNHRTSA-N 0 1 382.432 0.662 20 0 GCADMN CC(C)(C)[C@@H](CNCc1cnns1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573812904 949627219 /nfs/dbraw/zinc/62/72/19/949627219.db2.gz WAUOSFIMJBJLMS-GFCCVEGCSA-N 0 1 375.462 0.981 20 0 GCADMN CC1(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575547549 949632140 /nfs/dbraw/zinc/63/21/40/949632140.db2.gz ZMYCEIKERLWUNE-CYBMUJFWSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574714561 949634065 /nfs/dbraw/zinc/63/40/65/949634065.db2.gz FKYAMGDKNVEOGE-NEPJUHHUSA-N 0 1 384.448 0.265 20 0 GCADMN C[C@@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715106 949642752 /nfs/dbraw/zinc/64/27/52/949642752.db2.gz BAKPPAAFRLTBJG-QWHCGFSZSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCNC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574715068 949642786 /nfs/dbraw/zinc/64/27/86/949642786.db2.gz AKIHXWMUWKTUBC-DGCLKSJQSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878138 949670686 /nfs/dbraw/zinc/67/06/86/949670686.db2.gz NLGPEFDULDQUJJ-KGLIPLIRSA-N 0 1 387.492 0.862 20 0 GCADMN 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949819350 /nfs/dbraw/zinc/81/93/50/949819350.db2.gz FIVHEVSXOVNNTC-STQMWFEESA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575883594 949820930 /nfs/dbraw/zinc/82/09/30/949820930.db2.gz RQKOIYYSZOFGGA-ZWNOBZJWSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CNC(=O)c1c(Cl)n[nH]c1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574965903 949821576 /nfs/dbraw/zinc/82/15/76/949821576.db2.gz OIVBUGFIJHIKJR-ZETCQYMHSA-N 0 1 388.823 0.563 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574965844 949823537 /nfs/dbraw/zinc/82/35/37/949823537.db2.gz NJFVDQRLOLCKKD-BTDLBPIBSA-N 0 1 375.408 0.269 20 0 GCADMN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574965973 949828051 /nfs/dbraw/zinc/82/80/51/949828051.db2.gz QLAZUBPFUDGMGI-WQAKAFBOSA-N 0 1 375.408 0.064 20 0 GCADMN C[C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576172950 949829633 /nfs/dbraw/zinc/82/96/33/949829633.db2.gz ZUQPUTSHNPOPCS-BQHCWPDZSA-N 0 1 383.456 0.615 20 0 GCADMN C[C@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574966072 949832467 /nfs/dbraw/zinc/83/24/67/949832467.db2.gz TVCUYFODFHKCIZ-JTQLQIEISA-N 0 1 384.448 0.577 20 0 GCADMN C[C@@H]1[C@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575883981 949835036 /nfs/dbraw/zinc/83/50/36/949835036.db2.gz UBSMBUKPZKFCMB-DGCLKSJQSA-N 0 1 382.432 0.106 20 0 GCADMN C[C@H](CN(C)C(=O)CCS(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574722560 949837981 /nfs/dbraw/zinc/83/79/81/949837981.db2.gz UXKLLNCRVAUBBW-SNVBAGLBSA-N 0 1 386.503 0.299 20 0 GCADMN C[C@H](CN(C)C(=O)CCS(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574722560 949837999 /nfs/dbraw/zinc/83/79/99/949837999.db2.gz UXKLLNCRVAUBBW-SNVBAGLBSA-N 0 1 386.503 0.299 20 0 GCADMN C[C@@H](NC(=O)CN1CC[C@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)C1CC1 ZINC001575282972 949847028 /nfs/dbraw/zinc/84/70/28/949847028.db2.gz CZBGECIWTNRPBX-VXGBXAGGSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282987 949851177 /nfs/dbraw/zinc/85/11/77/949851177.db2.gz DOARXABDJUUDKX-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575282987 949851199 /nfs/dbraw/zinc/85/11/99/949851199.db2.gz DOARXABDJUUDKX-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282987 949851221 /nfs/dbraw/zinc/85/12/21/949851221.db2.gz DOARXABDJUUDKX-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575282987 949851245 /nfs/dbraw/zinc/85/12/45/949851245.db2.gz DOARXABDJUUDKX-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283057 949855662 /nfs/dbraw/zinc/85/56/62/949855662.db2.gz NBIPNNAJSZXXOY-YPMHNXCESA-N 0 1 392.485 0.670 20 0 GCADMN C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575283297 949858114 /nfs/dbraw/zinc/85/81/14/949858114.db2.gz FALOEEKMOHLCCG-VXGBXAGGSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574484202 949863230 /nfs/dbraw/zinc/86/32/30/949863230.db2.gz FHZRPWKDEBABNX-OLZOCXBDSA-N 0 1 382.432 0.329 20 0 GCADMN CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3ccncc3-c3nn[nH]n3)(C1)C2 ZINC001573825320 949871803 /nfs/dbraw/zinc/87/18/03/949871803.db2.gz RPQQNBXHCZQPAR-PIHIASKNSA-N 0 1 385.472 0.789 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnn(C)n2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178105 949873884 /nfs/dbraw/zinc/87/38/84/949873884.db2.gz AUAGEKPCOKQORD-NHYWBVRUSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574724689 949880488 /nfs/dbraw/zinc/88/04/88/949880488.db2.gz JCVJODXPUAXUNH-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](CN(C)C(=O)CCc1cn(C)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574724689 949880509 /nfs/dbraw/zinc/88/05/09/949880509.db2.gz JCVJODXPUAXUNH-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574968045 949889534 /nfs/dbraw/zinc/88/95/34/949889534.db2.gz LKUIJRRQCMQBJV-NSHDSACASA-N 0 1 381.444 0.739 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1cccn1 ZINC001574484636 949895716 /nfs/dbraw/zinc/89/57/16/949895716.db2.gz LCKOODAZCJTNAX-ZIAGYGMSSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574968399 949896573 /nfs/dbraw/zinc/89/65/73/949896573.db2.gz OYRLLVOUNZZYAL-NSHDSACASA-N 0 1 381.444 0.526 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CN[C@@H](C)c1nnnn1C1CC1 ZINC001574968549 949901706 /nfs/dbraw/zinc/90/17/06/949901706.db2.gz PUAYUQSXNAWLIH-ZJUUUORDSA-N 0 1 385.436 0.233 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H]1CN(C)c1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574484911 949907754 /nfs/dbraw/zinc/90/77/54/949907754.db2.gz RPDITHDQWMITTF-RYUDHWBXSA-N 0 1 387.448 0.136 20 0 GCADMN C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001575284498 949908277 /nfs/dbraw/zinc/90/82/77/949908277.db2.gz IXMWORDPOLALEJ-NWDGAFQWSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H]1CN(C)c1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574484912 949910604 /nfs/dbraw/zinc/91/06/04/949910604.db2.gz RPDITHDQWMITTF-VXGBXAGGSA-N 0 1 387.448 0.136 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574484933 949910890 /nfs/dbraw/zinc/91/08/90/949910890.db2.gz RYPHMJOYNBYOMT-UONOGXRCSA-N 0 1 381.444 0.934 20 0 GCADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+]([C@@H]1CN(C(=O)OCc3ccccc3)C[C@H]1O)C2 ZINC001595276178 949913526 /nfs/dbraw/zinc/91/35/26/949913526.db2.gz AIWGDFDQZMFHAW-MKSNKDDYSA-N 0 1 376.409 0.401 20 0 GCADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+]([C@H]1CN(C(=O)OCc3ccccc3)C[C@H]1O)C2 ZINC001595276177 949914363 /nfs/dbraw/zinc/91/43/63/949914363.db2.gz AIWGDFDQZMFHAW-GGXPGOJBSA-N 0 1 376.409 0.401 20 0 GCADMN CC1(C(=O)N[C@@H]2CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C[C@H]2O)CC1 ZINC001575569777 949927905 /nfs/dbraw/zinc/92/79/05/949927905.db2.gz NWAPUFYWVREITG-HTQZYQBOSA-N 0 1 383.865 0.833 20 0 GCADMN C[C@@H](NC(=O)COc1ccc(F)cc1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285132 949939010 /nfs/dbraw/zinc/93/90/10/949939010.db2.gz ZBTHFHZJXXCVCO-GHMZBOCLSA-N 0 1 386.391 0.602 20 0 GCADMN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1nccnc1-c1nnn[n-]1 ZINC001574726483 949939770 /nfs/dbraw/zinc/93/97/70/949939770.db2.gz IZDWRLLPBOGLEX-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1nccnc1-c1nn[n-]n1 ZINC001574726483 949939783 /nfs/dbraw/zinc/93/97/83/949939783.db2.gz IZDWRLLPBOGLEX-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574488393 949947808 /nfs/dbraw/zinc/94/78/08/949947808.db2.gz FAHZPUBRVMRRCZ-QFYYESIMSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574488393 949947826 /nfs/dbraw/zinc/94/78/26/949947826.db2.gz FAHZPUBRVMRRCZ-QFYYESIMSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](NC(=O)CN1CCCC1)[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575285470 949947870 /nfs/dbraw/zinc/94/78/70/949947870.db2.gz NOYWBRHUEXUIOA-OLZOCXBDSA-N 0 1 386.460 0.257 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575285544 949947966 /nfs/dbraw/zinc/94/79/66/949947966.db2.gz OJBFHDFBYRRXQW-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575285544 949947991 /nfs/dbraw/zinc/94/79/91/949947991.db2.gz OJBFHDFBYRRXQW-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180463 949957262 /nfs/dbraw/zinc/95/72/62/949957262.db2.gz IFWQIPZDYOZMQX-MLGOLLRUSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727265 949959057 /nfs/dbraw/zinc/95/90/57/949959057.db2.gz QVYHAHGPYQSQNP-STQMWFEESA-N 0 1 375.433 0.138 20 0 GCADMN C[C@H](CN(C)C(=O)COC[C@@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727263 949961824 /nfs/dbraw/zinc/96/18/24/949961824.db2.gz QVYHAHGPYQSQNP-OLZOCXBDSA-N 0 1 375.433 0.138 20 0 GCADMN C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574489370 949964131 /nfs/dbraw/zinc/96/41/31/949964131.db2.gz JFEGLLHRVIFVPS-JOYOIKCWSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)NC(N)=O ZINC001574489370 949964151 /nfs/dbraw/zinc/96/41/51/949964151.db2.gz JFEGLLHRVIFVPS-JOYOIKCWSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](NC(=O)CN1CCCC1=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575286254 949974421 /nfs/dbraw/zinc/97/44/21/949974421.db2.gz UZVRVCRISIUDBO-ZDUSSCGKSA-N 0 1 383.456 0.426 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576180851 949974770 /nfs/dbraw/zinc/97/47/70/949974770.db2.gz FVAWUXPBBNOMFL-UONOGXRCSA-N 0 1 387.492 0.317 20 0 GCADMN CC1(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575572605 949980778 /nfs/dbraw/zinc/98/07/78/949980778.db2.gz HGIRSRUJQWRJRI-JTQLQIEISA-N 0 1 378.387 0.821 20 0 GCADMN C[C@@H](NC(=O)CNC(=O)C1CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575286473 949983118 /nfs/dbraw/zinc/98/31/18/949983118.db2.gz WXNNUVRLZNOLQR-SNVBAGLBSA-N 0 1 389.485 0.391 20 0 GCADMN C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180996 949983759 /nfs/dbraw/zinc/98/37/59/949983759.db2.gz QYZLRYAKRAJMMJ-IINYFYTJSA-N 0 1 385.407 0.899 20 0 GCADMN CC(C)C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1CCCN1C ZINC001574148721 949985709 /nfs/dbraw/zinc/98/57/09/949985709.db2.gz PBJDPRZWJNRTPB-HIFRSBDPSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181212 949990882 /nfs/dbraw/zinc/99/08/82/949990882.db2.gz KRBIIGNOZDQVEA-XHDPSFHLSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001576181312 949994570 /nfs/dbraw/zinc/99/45/70/949994570.db2.gz SYAYAJRHTJVBFM-NSHDSACASA-N 0 1 376.469 0.230 20 0 GCADMN C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001576181312 949994589 /nfs/dbraw/zinc/99/45/89/949994589.db2.gz SYAYAJRHTJVBFM-NSHDSACASA-N 0 1 376.469 0.230 20 0 GCADMN C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001576181312 949994608 /nfs/dbraw/zinc/99/46/08/949994608.db2.gz SYAYAJRHTJVBFM-NSHDSACASA-N 0 1 376.469 0.230 20 0 GCADMN C[C@H]1CCC[N@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001576181312 949994629 /nfs/dbraw/zinc/99/46/29/949994629.db2.gz SYAYAJRHTJVBFM-NSHDSACASA-N 0 1 376.469 0.230 20 0 GCADMN CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H]1CCCN1C ZINC001574148799 949995346 /nfs/dbraw/zinc/99/53/46/949995346.db2.gz QNQNZIVNTFBUNJ-ZFWWWQNUSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2ccc(F)nc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891273 949995784 /nfs/dbraw/zinc/99/57/84/949995784.db2.gz HFFQSCFFOJKQAX-JQWIXIFHSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@H](NC(=O)Cc1c[nH]cn1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575289633 949997999 /nfs/dbraw/zinc/99/79/99/949997999.db2.gz APAXYCVEKWHAPO-NSHDSACASA-N 0 1 384.419 0.908 20 0 GCADMN C[C@H](CC(=O)N[C@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)NC(N)=O ZINC001574490560 950001443 /nfs/dbraw/zinc/00/14/43/950001443.db2.gz VBOISEODHRXNKR-VXGBXAGGSA-N 0 1 386.460 0.250 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891522 950014467 /nfs/dbraw/zinc/01/44/67/950014467.db2.gz KSWQHCNBZMDESQ-ZYHUDNBSSA-N 0 1 383.391 0.978 20 0 GCADMN CC(C)C[C@@H](CNC(=O)CN1CCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574149707 950016856 /nfs/dbraw/zinc/01/68/56/950016856.db2.gz XGLRPPPJPNNOEP-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)NC(N)=O ZINC001574491317 950030873 /nfs/dbraw/zinc/03/08/73/950030873.db2.gz CAQQLIRYRUOCAM-IUODEOHRSA-N 0 1 386.460 0.394 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1cccc(C(N)=O)c1 ZINC001574975476 950030960 /nfs/dbraw/zinc/03/09/60/950030960.db2.gz HJAHYXOWJFHUCH-LLVKDONJSA-N 0 1 382.428 0.544 20 0 GCADMN C[C@H](CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574491405 950033043 /nfs/dbraw/zinc/03/30/43/950033043.db2.gz CKYWZYQLFCKYFE-KPPDAEKUSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H](CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574491405 950033058 /nfs/dbraw/zinc/03/30/58/950033058.db2.gz CKYWZYQLFCKYFE-KPPDAEKUSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@]1(C(=O)NC[C@@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCCOC1 ZINC001575574874 950035656 /nfs/dbraw/zinc/03/56/56/950035656.db2.gz ZZXWNFPMABSMSU-UGSOOPFHSA-N 0 1 392.435 0.389 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cnc2n1[C@@H](C)CCC2 ZINC001576182405 950047920 /nfs/dbraw/zinc/04/79/20/950047920.db2.gz ZNLNXGKQFGDINU-QWRGUYRKSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182839 950064015 /nfs/dbraw/zinc/06/40/15/950064015.db2.gz NCWSMAQWNFOJHP-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ccon2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182864 950064444 /nfs/dbraw/zinc/06/44/44/950064444.db2.gz NQMCVVSDZBKYOM-OLZOCXBDSA-N 0 1 382.428 0.811 20 0 GCADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182840 950064491 /nfs/dbraw/zinc/06/44/91/950064491.db2.gz NCWSMAQWNFOJHP-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)OCC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC001589685828 950073041 /nfs/dbraw/zinc/07/30/41/950073041.db2.gz IMSALIJDILJZIK-ZIAGYGMSSA-N 0 1 376.475 0.673 20 0 GCADMN C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCC(=O)NC1 ZINC001575576948 950075744 /nfs/dbraw/zinc/07/57/44/950075744.db2.gz UCMINGPWJMNODX-INIZCTEOSA-N 0 1 389.485 0.583 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H](O)CNc2nc(-c3nn[nH]n3)c(Cl)s2)CCOC1 ZINC001575577385 950078268 /nfs/dbraw/zinc/07/82/68/950078268.db2.gz VILPAYSFNVQLRG-FUXBKTLASA-N 0 1 387.853 0.292 20 0 GCADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183295 950078879 /nfs/dbraw/zinc/07/88/79/950078879.db2.gz PCMMGIBMECAWLL-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@]1(C(=O)NC[C@@H](O)CNc2nc(-c3nn[nH]n3)c(Cl)s2)CCOC1 ZINC001575577388 950080621 /nfs/dbraw/zinc/08/06/21/950080621.db2.gz VILPAYSFNVQLRG-UHLUBPPHSA-N 0 1 387.853 0.292 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001574492419 950080707 /nfs/dbraw/zinc/08/07/07/950080707.db2.gz AWEBJPLNQRNDHG-DGCLKSJQSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575576983 950081896 /nfs/dbraw/zinc/08/18/96/950081896.db2.gz UHUWKSOTRNWSLH-MEDUHNTESA-N 0 1 380.474 0.312 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC001575576983 950081915 /nfs/dbraw/zinc/08/19/15/950081915.db2.gz UHUWKSOTRNWSLH-MEDUHNTESA-N 0 1 380.474 0.312 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccon2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183353 950084571 /nfs/dbraw/zinc/08/45/71/950084571.db2.gz PXFCKSIMUZBECV-NWDGAFQWSA-N 0 1 383.416 0.206 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574492468 950087392 /nfs/dbraw/zinc/08/73/92/950087392.db2.gz NDKDUJWCPJCKTR-GHMZBOCLSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H]1CCN(C(=O)CC(F)(F)F)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183877 950104965 /nfs/dbraw/zinc/10/49/65/950104965.db2.gz RYDNGSRJFUZCOP-VHSXEESVSA-N 0 1 384.366 0.928 20 0 GCADMN C[C@@H]1CCN(C(=O)CC(F)(F)F)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183878 950106051 /nfs/dbraw/zinc/10/60/51/950106051.db2.gz RYDNGSRJFUZCOP-ZJUUUORDSA-N 0 1 384.366 0.928 20 0 GCADMN CC(C)C[C@@H](CNCc1cnns1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574152527 950107718 /nfs/dbraw/zinc/10/77/18/950107718.db2.gz FLHKBRLCHWEJHD-JTQLQIEISA-N 0 1 375.462 0.981 20 0 GCADMN CC1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCC2)CCOCC1 ZINC001575582244 950107814 /nfs/dbraw/zinc/10/78/14/950107814.db2.gz HCTQQVWQHVPFEP-UHFFFAOYSA-N 0 1 386.460 0.736 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1ccn(C)n1 ZINC001576183991 950111103 /nfs/dbraw/zinc/11/11/03/950111103.db2.gz UWHDRVSRCDHCKK-BLLLJJGKSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574733702 950119654 /nfs/dbraw/zinc/11/96/54/950119654.db2.gz GCXJQKAIVJLLHP-YUSALJHKSA-N 0 1 383.416 0.298 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nc1)NC(=O)CCc1nc[nH]n1 ZINC001574152877 950120582 /nfs/dbraw/zinc/12/05/82/950120582.db2.gz LCWCPVKYUAGDGI-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN CC1(C(=O)NC[C@@]2(O)CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)CC1 ZINC001575582644 950126484 /nfs/dbraw/zinc/12/64/84/950126484.db2.gz LWOHHOAGZHVJOT-AWEZNQCLSA-N 0 1 383.865 0.834 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896245 950127031 /nfs/dbraw/zinc/12/70/31/950127031.db2.gz LIESHVZSNSCOOS-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896242 950127343 /nfs/dbraw/zinc/12/73/43/950127343.db2.gz LIESHVZSNSCOOS-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575896183 950128206 /nfs/dbraw/zinc/12/82/06/950128206.db2.gz LHOVFGHZDJPFPK-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cn(C)nn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575896742 950130100 /nfs/dbraw/zinc/13/01/00/950130100.db2.gz NBQNIEDJQFTQPI-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575896744 950131119 /nfs/dbraw/zinc/13/11/19/950131119.db2.gz NBQNIEDJQFTQPI-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cn(C)nn2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575896746 950132487 /nfs/dbraw/zinc/13/24/87/950132487.db2.gz NBQNIEDJQFTQPI-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)C1=NC(=O)N(C)C1 ZINC001574153195 950133192 /nfs/dbraw/zinc/13/31/92/950133192.db2.gz OZJKJTVVMPQAPG-LBPRGKRZSA-N 0 1 385.432 0.957 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576184665 950136716 /nfs/dbraw/zinc/13/67/16/950136716.db2.gz WXFUMVVTPGYDGE-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576184665 950136727 /nfs/dbraw/zinc/13/67/27/950136727.db2.gz WXFUMVVTPGYDGE-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576184665 950136741 /nfs/dbraw/zinc/13/67/41/950136741.db2.gz WXFUMVVTPGYDGE-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576184665 950136748 /nfs/dbraw/zinc/13/67/48/950136748.db2.gz WXFUMVVTPGYDGE-ZIAGYGMSSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576184663 950137127 /nfs/dbraw/zinc/13/71/27/950137127.db2.gz WXFUMVVTPGYDGE-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C1 ZINC001576184663 950137140 /nfs/dbraw/zinc/13/71/40/950137140.db2.gz WXFUMVVTPGYDGE-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576184663 950137155 /nfs/dbraw/zinc/13/71/55/950137155.db2.gz WXFUMVVTPGYDGE-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C1 ZINC001576184663 950137176 /nfs/dbraw/zinc/13/71/76/950137176.db2.gz WXFUMVVTPGYDGE-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576184869 950143172 /nfs/dbraw/zinc/14/31/72/950143172.db2.gz XIYXZBZAFNSLHR-RYUDHWBXSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574494033 950151586 /nfs/dbraw/zinc/15/15/86/950151586.db2.gz WVWCEYZWQHHEEQ-UWVGGRQHSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574494435 950165170 /nfs/dbraw/zinc/16/51/70/950165170.db2.gz YQDJONIGZBKGJU-OCCSQVGLSA-N 0 1 386.460 0.947 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)COC(C)(C)C ZINC001574154473 950168228 /nfs/dbraw/zinc/16/82/28/950168228.db2.gz FATZBHQVNXZRBD-LBPRGKRZSA-N 0 1 376.465 0.837 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CCCOC1 ZINC001575584399 950170700 /nfs/dbraw/zinc/17/07/00/950170700.db2.gz QMFDEYGVGMCTPM-UGSOOPFHSA-N 0 1 386.460 0.949 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)COC(C)(C)C ZINC001574154470 950170787 /nfs/dbraw/zinc/17/07/87/950170787.db2.gz FATZBHQVNXZRBD-GFCCVEGCSA-N 0 1 376.465 0.837 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575899758 950178771 /nfs/dbraw/zinc/17/87/71/950178771.db2.gz YVDTZKYDPGTGIP-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H](NC[C@H](C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)c1nnnn1C1CC1 ZINC001574982711 950179374 /nfs/dbraw/zinc/17/93/74/950179374.db2.gz GMAWTNHTPJLRNT-VHSXEESVSA-N 0 1 385.436 0.233 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574739005 950183273 /nfs/dbraw/zinc/18/32/73/950183273.db2.gz KGOBLCCEKNJOEA-SECBINFHSA-N 0 1 376.446 0.618 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(=O)n1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574739005 950183285 /nfs/dbraw/zinc/18/32/85/950183285.db2.gz KGOBLCCEKNJOEA-SECBINFHSA-N 0 1 376.446 0.618 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCc1ccon1 ZINC001574155261 950188936 /nfs/dbraw/zinc/18/89/36/950188936.db2.gz KRVDYXHZPYYGRZ-ZDUSSCGKSA-N 0 1 385.432 0.642 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cnccn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 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OBJFUICLNOXWFE-JOYOIKCWSA-N 0 1 386.441 0.817 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1cncn1C ZINC001575907556 950337564 /nfs/dbraw/zinc/33/75/64/950337564.db2.gz PDGSYCFPOGVDOA-BXUZGUMPSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574501878 950346279 /nfs/dbraw/zinc/34/62/79/950346279.db2.gz HCMKELXJSKSPSL-OLZOCXBDSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574502068 950350256 /nfs/dbraw/zinc/35/02/56/950350256.db2.gz IKNKNWVDCASIPI-WDEREUQCSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574502068 950350275 /nfs/dbraw/zinc/35/02/75/950350275.db2.gz IKNKNWVDCASIPI-WDEREUQCSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196247 950351879 /nfs/dbraw/zinc/35/18/79/950351879.db2.gz BSHKFPOYKQBOLU-KBPBESRZSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196247 950351903 /nfs/dbraw/zinc/35/19/03/950351903.db2.gz BSHKFPOYKQBOLU-KBPBESRZSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196247 950351919 /nfs/dbraw/zinc/35/19/19/950351919.db2.gz BSHKFPOYKQBOLU-KBPBESRZSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574502065 950353028 /nfs/dbraw/zinc/35/30/28/950353028.db2.gz IKNKNWVDCASIPI-GHMZBOCLSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574502065 950353051 /nfs/dbraw/zinc/35/30/51/950353051.db2.gz IKNKNWVDCASIPI-GHMZBOCLSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576196197 950353618 /nfs/dbraw/zinc/35/36/18/950353618.db2.gz AFRMPAKWOBUVSY-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576196197 950353639 /nfs/dbraw/zinc/35/36/39/950353639.db2.gz AFRMPAKWOBUVSY-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576196195 950353730 /nfs/dbraw/zinc/35/37/30/950353730.db2.gz ACWQKILTSODDGM-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576196195 950353743 /nfs/dbraw/zinc/35/37/43/950353743.db2.gz ACWQKILTSODDGM-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576196195 950353766 /nfs/dbraw/zinc/35/37/66/950353766.db2.gz ACWQKILTSODDGM-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576196195 950353779 /nfs/dbraw/zinc/35/37/79/950353779.db2.gz ACWQKILTSODDGM-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576196414 950358105 /nfs/dbraw/zinc/35/81/05/950358105.db2.gz CTEHYJPVJMDYCA-AWEZNQCLSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1ccc(-c2nn[n-]n2)nn1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576196414 950358130 /nfs/dbraw/zinc/35/81/30/950358130.db2.gz CTEHYJPVJMDYCA-AWEZNQCLSA-N 0 1 387.492 0.672 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576196289 950358217 /nfs/dbraw/zinc/35/82/17/950358217.db2.gz CHTDYADLERJFPK-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cnnn1 ZINC001575908278 950358662 /nfs/dbraw/zinc/35/86/62/950358662.db2.gz UAADZJMMJARYFN-PWSUYJOCSA-N 0 1 388.461 0.084 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cnnn1 ZINC001575908278 950358678 /nfs/dbraw/zinc/35/86/78/950358678.db2.gz UAADZJMMJARYFN-PWSUYJOCSA-N 0 1 388.461 0.084 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576196280 950360535 /nfs/dbraw/zinc/36/05/35/950360535.db2.gz CEPVIZHYLWWGQC-CQSZACIVSA-N 0 1 385.476 0.792 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576196394 950362609 /nfs/dbraw/zinc/36/26/09/950362609.db2.gz CINUCLFUTBXFMI-AWEZNQCLSA-N 0 1 385.476 0.071 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574161600 950363632 /nfs/dbraw/zinc/36/36/32/950363632.db2.gz WKVSDAQFWZHXBH-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574161600 950363655 /nfs/dbraw/zinc/36/36/55/950363655.db2.gz WKVSDAQFWZHXBH-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574161600 950363666 /nfs/dbraw/zinc/36/36/66/950363666.db2.gz WKVSDAQFWZHXBH-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574161600 950363692 /nfs/dbraw/zinc/36/36/92/950363692.db2.gz WKVSDAQFWZHXBH-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001576196673 950367554 /nfs/dbraw/zinc/36/75/54/950367554.db2.gz FVCFVYYBRCHJEN-CQSZACIVSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196714 950373514 /nfs/dbraw/zinc/37/35/14/950373514.db2.gz GGRPGXNXODJXLQ-KGLIPLIRSA-N 0 1 385.476 0.790 20 0 GCADMN CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001589715564 950374796 /nfs/dbraw/zinc/37/47/96/950374796.db2.gz TVGAQRLZQXJJPL-KUHUBIRLSA-N 0 1 399.488 0.877 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573855406 950374751 /nfs/dbraw/zinc/37/47/51/950374751.db2.gz SXYZGMHRHYVSLQ-ZDUSSCGKSA-N 0 1 388.476 0.694 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576196916 950376136 /nfs/dbraw/zinc/37/61/36/950376136.db2.gz JACBDBGLDVEODL-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576196916 950376156 /nfs/dbraw/zinc/37/61/56/950376156.db2.gz JACBDBGLDVEODL-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576196918 950379293 /nfs/dbraw/zinc/37/92/93/950379293.db2.gz JACBDBGLDVEODL-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576196918 950379312 /nfs/dbraw/zinc/37/93/12/950379312.db2.gz JACBDBGLDVEODL-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccnc(-c4nnn[n-]4)n3)C(C)(C)C2)C1 ZINC001576196988 950379943 /nfs/dbraw/zinc/37/99/43/950379943.db2.gz LBIBTDSULALAIK-OLZOCXBDSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576196988 950379963 /nfs/dbraw/zinc/37/99/63/950379963.db2.gz LBIBTDSULALAIK-OLZOCXBDSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)C1 ZINC001576196988 950379976 /nfs/dbraw/zinc/37/99/76/950379976.db2.gz LBIBTDSULALAIK-OLZOCXBDSA-N 0 1 385.476 0.069 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001576197261 950385482 /nfs/dbraw/zinc/38/54/82/950385482.db2.gz MFZAANLIQQALLJ-UHFFFAOYSA-N 0 1 385.476 0.427 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197445 950390484 /nfs/dbraw/zinc/39/04/84/950390484.db2.gz OAHJFQIZPVQXQU-ZIAGYGMSSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576197404 950390651 /nfs/dbraw/zinc/39/06/51/950390651.db2.gz NERWYMSGHKQUQW-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576197404 950390667 /nfs/dbraw/zinc/39/06/67/950390667.db2.gz NERWYMSGHKQUQW-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576197443 950392220 /nfs/dbraw/zinc/39/22/20/950392220.db2.gz OAHJFQIZPVQXQU-KGLIPLIRSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)C1=COCCO1 ZINC001575909361 950394606 /nfs/dbraw/zinc/39/46/06/950394606.db2.gz YXCKLZGWPJHLRX-PWSUYJOCSA-N 0 1 376.442 0.895 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)C1=COCCO1 ZINC001575909361 950394632 /nfs/dbraw/zinc/39/46/32/950394632.db2.gz YXCKLZGWPJHLRX-PWSUYJOCSA-N 0 1 376.442 0.895 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)C1=COCCO1 ZINC001575909360 950397205 /nfs/dbraw/zinc/39/72/05/950397205.db2.gz YXCKLZGWPJHLRX-JQWIXIFHSA-N 0 1 376.442 0.895 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)C1=COCCO1 ZINC001575909360 950397232 /nfs/dbraw/zinc/39/72/32/950397232.db2.gz YXCKLZGWPJHLRX-JQWIXIFHSA-N 0 1 376.442 0.895 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCc1cc2n(n1)CCCC2 ZINC001574747079 950399293 /nfs/dbraw/zinc/39/92/93/950399293.db2.gz QPLXNVGFGPDBMP-GFCCVEGCSA-N 0 1 383.460 0.978 20 0 GCADMN C[C@]1(C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCNC(=O)C1 ZINC001575597241 950402062 /nfs/dbraw/zinc/40/20/62/950402062.db2.gz ZSFMFKMJBAKWKS-YATRRXNKSA-N 0 1 389.485 0.607 20 0 GCADMN C[C@]1(C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCNC(=O)C1 ZINC001575597241 950402071 /nfs/dbraw/zinc/40/20/71/950402071.db2.gz ZSFMFKMJBAKWKS-YATRRXNKSA-N 0 1 389.485 0.607 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3ccnc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576198061 950403708 /nfs/dbraw/zinc/40/37/08/950403708.db2.gz RJBFHMJGOLEGQJ-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576198061 950403720 /nfs/dbraw/zinc/40/37/20/950403720.db2.gz RJBFHMJGOLEGQJ-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3ccnc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576198061 950403732 /nfs/dbraw/zinc/40/37/32/950403732.db2.gz RJBFHMJGOLEGQJ-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)C1 ZINC001576198077 950404385 /nfs/dbraw/zinc/40/43/85/950404385.db2.gz RUTFGJKHWKPQFO-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)C1 ZINC001576198077 950404407 /nfs/dbraw/zinc/40/44/07/950404407.db2.gz RUTFGJKHWKPQFO-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)C1 ZINC001576198077 950404431 /nfs/dbraw/zinc/40/44/31/950404431.db2.gz RUTFGJKHWKPQFO-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)C1 ZINC001576198077 950404449 /nfs/dbraw/zinc/40/44/49/950404449.db2.gz RUTFGJKHWKPQFO-CHWSQXEVSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198052 950405222 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C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ncc(F)cc1F ZINC001575920613 950632147 /nfs/dbraw/zinc/63/21/47/950632147.db2.gz MRVRVKLOZAPZFX-KCJUWKMLSA-N 0 1 387.354 0.467 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnc(C2CC2)o1 ZINC001575920625 950633103 /nfs/dbraw/zinc/63/31/03/950633103.db2.gz MRZYPLSEIDKWPA-GXSJLCMTSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cn(C)nc1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574759363 950634694 /nfs/dbraw/zinc/63/46/94/950634694.db2.gz BUUTWEJGMPWASK-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cccc2nc[nH]c21 ZINC001575921399 950637382 /nfs/dbraw/zinc/63/73/82/950637382.db2.gz NRYJWFGEZSQBKT-ZYHUDNBSSA-N 0 1 390.411 0.670 20 0 GCADMN CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CC(C(=O)[O-])=NO3)CC2)CC1 ZINC001589743971 950639942 /nfs/dbraw/zinc/63/99/42/950639942.db2.gz HBZRXCXLKZQWGT-HNNXBMFYSA-N 0 1 380.445 0.009 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cc1ccccc1F ZINC001575921623 950640358 /nfs/dbraw/zinc/64/03/58/950640358.db2.gz OCABZDSSYYAHFR-SMDDNHRTSA-N 0 1 382.403 0.862 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574759731 950642379 /nfs/dbraw/zinc/64/23/79/950642379.db2.gz DKIGVKQBKOVUNS-NSHDSACASA-N 0 1 384.448 0.508 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccnc(C2CC2)n1 ZINC001575921669 950642402 /nfs/dbraw/zinc/64/24/02/950642402.db2.gz OEHXAGHBPLVPMD-CMPLNLGQSA-N 0 1 392.427 0.461 20 0 GCADMN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574517841 950650580 /nfs/dbraw/zinc/65/05/80/950650580.db2.gz MKTPTPSYSDGPSV-OPRDCNLKSA-N 0 1 378.462 0.112 20 0 GCADMN C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574517841 950650590 /nfs/dbraw/zinc/65/05/90/950650590.db2.gz MKTPTPSYSDGPSV-OPRDCNLKSA-N 0 1 378.462 0.112 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ncccc1F ZINC001575922992 950653448 /nfs/dbraw/zinc/65/34/48/950653448.db2.gz BJMDKLUKOPABPH-SMDDNHRTSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(C2CC2)no1 ZINC001575923267 950654212 /nfs/dbraw/zinc/65/42/12/950654212.db2.gz QCOUVJGLXXXAPE-ONGXEEELSA-N 0 1 381.400 0.659 20 0 GCADMN CC1(C)CC(C(=O)N2CCC[C@@](CO)(Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001575623645 950656653 /nfs/dbraw/zinc/65/66/53/950656653.db2.gz FCKLMEXWEOFZCO-LJQANCHMSA-N 0 1 385.472 0.885 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575923313 950658079 /nfs/dbraw/zinc/65/80/79/950658079.db2.gz QVNNKXFDRVANSN-KOLCDFICSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760252 950659051 /nfs/dbraw/zinc/65/90/51/950659051.db2.gz UXMVSCHMRGFJFQ-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cccn(C)c1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574760252 950659065 /nfs/dbraw/zinc/65/90/65/950659065.db2.gz UXMVSCHMRGFJFQ-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ncoc1C1CC1 ZINC001575923315 950660170 /nfs/dbraw/zinc/66/01/70/950660170.db2.gz QVNNKXFDRVANSN-ONGXEEELSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cccnc1N(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574760212 950660782 /nfs/dbraw/zinc/66/07/82/950660782.db2.gz URLGRVUJWYQJET-LBPRGKRZSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccncc1 ZINC001574518738 950661142 /nfs/dbraw/zinc/66/11/42/950661142.db2.gz QPIFVGJCKZSFDZ-HVOFVXBASA-N 0 1 391.439 0.796 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760336 950664603 /nfs/dbraw/zinc/66/46/03/950664603.db2.gz ISBXYUBMHOWQCI-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574760336 950664611 /nfs/dbraw/zinc/66/46/11/950664611.db2.gz ISBXYUBMHOWQCI-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCn1cncn1 ZINC001575924170 950666216 /nfs/dbraw/zinc/66/62/16/950666216.db2.gz RTVHCTUUMDKBDO-JSGCOSHPSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924090 950668591 /nfs/dbraw/zinc/66/85/91/950668591.db2.gz DPQOYLZIEDGTOB-SWLSCSKDSA-N 0 1 381.444 0.451 20 0 GCADMN C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576214493 950669384 /nfs/dbraw/zinc/66/93/84/950669384.db2.gz AWMSWGRFCQUXRZ-HZMBPMFUSA-N 0 1 382.432 0.038 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ocnc1C1CC1 ZINC001575924268 950670686 /nfs/dbraw/zinc/67/06/86/950670686.db2.gz RYQZQESHGJPOKA-KOLCDFICSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccncn1 ZINC001575924994 950675111 /nfs/dbraw/zinc/67/51/11/950675111.db2.gz GGNZIXJXYBJBSK-DOMZBBRYSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576214729 950679458 /nfs/dbraw/zinc/67/94/58/950679458.db2.gz BVEHOUMYOUXOJV-QWRGUYRKSA-N 0 1 381.444 0.762 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCC1CCOCC1 ZINC001575925147 950680035 /nfs/dbraw/zinc/68/00/35/950680035.db2.gz SVIBZCVHDGMLEB-OCCSQVGLSA-N 0 1 386.460 0.687 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575925699 950687474 /nfs/dbraw/zinc/68/74/74/950687474.db2.gz HXXOQUYLNAPXBL-GWCFXTLKSA-N 0 1 379.428 0.611 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575925706 950689166 /nfs/dbraw/zinc/68/91/66/950689166.db2.gz HXXOQUYLNAPXBL-MFKMUULPSA-N 0 1 379.428 0.611 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215115 950691082 /nfs/dbraw/zinc/69/10/82/950691082.db2.gz DESRVDSPBZRAKX-NEPJUHHUSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ncc(Cl)s1 ZINC001575925846 950691583 /nfs/dbraw/zinc/69/15/83/950691583.db2.gz VJZFOHAPCXNXAI-SFYZADRCSA-N 0 1 391.848 0.904 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215183 950691614 /nfs/dbraw/zinc/69/16/14/950691614.db2.gz DOIIKYAILWKGIT-NWDGAFQWSA-N 0 1 381.444 0.693 20 0 GCADMN CC(C)n1cnc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)c1 ZINC001575925780 950693621 /nfs/dbraw/zinc/69/36/21/950693621.db2.gz UUVHPWCQUCIXSZ-RYUDHWBXSA-N 0 1 382.432 0.571 20 0 GCADMN C[C@H](CN(C)C(=O)c1cn(C)nc1C(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001574761142 950693781 /nfs/dbraw/zinc/69/37/81/950693781.db2.gz RBDKEMWJWNXEPR-SECBINFHSA-N 0 1 391.386 0.927 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215316 950695104 /nfs/dbraw/zinc/69/51/04/950695104.db2.gz FGUMNMHFFRSRMZ-QWRGUYRKSA-N 0 1 381.444 0.762 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CN1CCCCC1=O ZINC001575926153 950699864 /nfs/dbraw/zinc/69/98/64/950699864.db2.gz JAGJWMLWYAJGLH-GXTWGEPZSA-N 0 1 384.444 0.097 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576215671 950703612 /nfs/dbraw/zinc/70/36/12/950703612.db2.gz FSEGCLBLPPAXSX-WDEREUQCSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)C[C@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576215665 950705797 /nfs/dbraw/zinc/70/57/97/950705797.db2.gz FSEGCLBLPPAXSX-MNOVXSKESA-N 0 1 382.432 0.088 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576215777 950708178 /nfs/dbraw/zinc/70/81/78/950708178.db2.gz GGWWUPTYXURFRA-VXGBXAGGSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575926463 950709015 /nfs/dbraw/zinc/70/90/15/950709015.db2.gz KDWISWAUQFNCAX-XHDPSFHLSA-N 0 1 382.403 0.862 20 0 GCADMN CC1(C)CC(C(=O)NC[C@]2(C)CN(c3ccnc(-c4nn[nH]n4)n3)CCO2)C1 ZINC001575628272 950714144 /nfs/dbraw/zinc/71/41/44/950714144.db2.gz BLGVRGBJYMYRGG-GOSISDBHSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575926707 950719527 /nfs/dbraw/zinc/71/95/27/950719527.db2.gz LEIADFCODOYXCL-AAEUAGOBSA-N 0 1 379.428 0.541 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575926660 950720275 /nfs/dbraw/zinc/72/02/75/950720275.db2.gz YAMHLDNXPLEIRZ-WCBMZHEXSA-N 0 1 390.358 0.385 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926929 950726640 /nfs/dbraw/zinc/72/66/40/950726640.db2.gz ZCQKATMNSIBKOK-ONGXEEELSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(C2CC2)on1 ZINC001575926926 950727801 /nfs/dbraw/zinc/72/78/01/950727801.db2.gz ZCQKATMNSIBKOK-MWLCHTKSSA-N 0 1 381.400 0.659 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnc(Cl)n1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763732 950730913 /nfs/dbraw/zinc/73/09/13/950730913.db2.gz JCIULSUCIYIFFT-QMMMGPOBSA-N 0 1 376.812 0.038 20 0 GCADMN CC(C)n1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)cn1 ZINC001575927067 950731161 /nfs/dbraw/zinc/73/11/61/950731161.db2.gz ZXTIGUIWUBMLLB-DGCLKSJQSA-N 0 1 382.432 0.571 20 0 GCADMN CC(C)n1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)cn1 ZINC001575927066 950732719 /nfs/dbraw/zinc/73/27/19/950732719.db2.gz ZXTIGUIWUBMLLB-AAEUAGOBSA-N 0 1 382.432 0.571 20 0 GCADMN CC(C)(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001573879910 950735595 /nfs/dbraw/zinc/73/55/95/950735595.db2.gz OKFHWUWZRSEUFU-MGCOHNPYSA-N 0 1 383.416 0.737 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927137 950736486 /nfs/dbraw/zinc/73/64/86/950736486.db2.gz NSHPUVRNCODBCJ-YPMHNXCESA-N 0 1 386.460 0.247 20 0 GCADMN CC1(C)CC(C(=O)NC2(CNc3ccnc(-c4nn[nH]n4)n3)CCOCC2)C1 ZINC001575629331 950737189 /nfs/dbraw/zinc/73/71/89/950737189.db2.gz MLBWASVETDFJKC-UHFFFAOYSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763938 950737458 /nfs/dbraw/zinc/73/74/58/950737458.db2.gz NFRBXCNJFLAEOZ-JTQLQIEISA-N 0 1 382.432 0.262 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764004 950742139 /nfs/dbraw/zinc/74/21/39/950742139.db2.gz OVEYCIWTKCMOOA-LLVKDONJSA-N 0 1 384.448 0.603 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575927485 950742924 /nfs/dbraw/zinc/74/29/24/950742924.db2.gz PQTYRTJHGFEGRU-SMDDNHRTSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576216933 950746506 /nfs/dbraw/zinc/74/65/06/950746506.db2.gz KEZOMBNOCWGJID-UWVGGRQHSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575927635 950746786 /nfs/dbraw/zinc/74/67/86/950746786.db2.gz RELTXIOZGWGGSU-JOYOIKCWSA-N 0 1 389.370 0.990 20 0 GCADMN C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575927694 950750716 /nfs/dbraw/zinc/75/07/16/950750716.db2.gz SHLQYYUDDCTELW-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575927694 950750730 /nfs/dbraw/zinc/75/07/30/950750730.db2.gz SHLQYYUDDCTELW-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576217322 950753902 /nfs/dbraw/zinc/75/39/02/950753902.db2.gz MJBKWXNTTREMQI-WDEREUQCSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576217320 950755391 /nfs/dbraw/zinc/75/53/91/950755391.db2.gz MJBKWXNTTREMQI-MNOVXSKESA-N 0 1 382.432 0.088 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn2c(n1)CC[C@@H](C)C2 ZINC001576217319 950755727 /nfs/dbraw/zinc/75/57/27/950755727.db2.gz MJBKWXNTTREMQI-GHMZBOCLSA-N 0 1 382.432 0.088 20 0 GCADMN CC(C)CCC(=O)NCC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001574182473 950756674 /nfs/dbraw/zinc/75/66/74/950756674.db2.gz WJSWFWOWXIAIAG-UHFFFAOYSA-N 0 1 386.460 0.297 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574764701 950757006 /nfs/dbraw/zinc/75/70/06/950757006.db2.gz WRCHJZGGRRSCBQ-NSHDSACASA-N 0 1 381.444 0.867 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576217512 950762370 /nfs/dbraw/zinc/76/23/70/950762370.db2.gz IJCCPIDDCLVKFD-CHWSQXEVSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576217512 950762391 /nfs/dbraw/zinc/76/23/91/950762391.db2.gz IJCCPIDDCLVKFD-CHWSQXEVSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cnccn1 ZINC001575927929 950764910 /nfs/dbraw/zinc/76/49/10/950764910.db2.gz WISPWXHYSRFUQB-DOMZBBRYSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccncc3-c3nn[nH]n3)c2C1 ZINC001576217728 950767855 /nfs/dbraw/zinc/76/78/55/950767855.db2.gz OHDRDGHXYBUFNM-NSHDSACASA-N 0 1 381.444 0.716 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCNC(N)=O ZINC001574521070 950768152 /nfs/dbraw/zinc/76/81/52/950768152.db2.gz CUWXYQMOAODZSY-VHSXEESVSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCNC(N)=O ZINC001574521070 950768163 /nfs/dbraw/zinc/76/81/63/950768163.db2.gz CUWXYQMOAODZSY-VHSXEESVSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CN1CCCC1=O ZINC001574521311 950775814 /nfs/dbraw/zinc/77/58/14/950775814.db2.gz FHWUJXBVPMJIOY-VXGBXAGGSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CN1CCCC1=O ZINC001574521311 950775821 /nfs/dbraw/zinc/77/58/21/950775821.db2.gz FHWUJXBVPMJIOY-VXGBXAGGSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CN1CCCC1=O ZINC001574521310 950776379 /nfs/dbraw/zinc/77/63/79/950776379.db2.gz FHWUJXBVPMJIOY-RYUDHWBXSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CN1CCCC1=O ZINC001574521310 950776395 /nfs/dbraw/zinc/77/63/95/950776395.db2.gz FHWUJXBVPMJIOY-RYUDHWBXSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@@H]1[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575928162 950776921 /nfs/dbraw/zinc/77/69/21/950776921.db2.gz ZNCMFUNQUXVVRV-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575928162 950776937 /nfs/dbraw/zinc/77/69/37/950776937.db2.gz ZNCMFUNQUXVVRV-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884099 950780632 /nfs/dbraw/zinc/78/06/32/950780632.db2.gz ICLSQIUSKYBQCT-AOOOYVTPSA-N 0 1 382.432 0.472 20 0 GCADMN C[C@@H](CN(C)[C@H]1CCN(C2CCC2)C1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765336 950784949 /nfs/dbraw/zinc/78/49/49/950784949.db2.gz CDEMFRHESXERQY-NHYWBVRUSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574765695 950795125 /nfs/dbraw/zinc/79/51/25/950795125.db2.gz JPIFUZOXXCQVGL-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574522856 950803106 /nfs/dbraw/zinc/80/31/06/950803106.db2.gz LJWZKSGSTQIQRN-MNOVXSKESA-N 0 1 375.462 0.593 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)Cn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574522856 950803120 /nfs/dbraw/zinc/80/31/20/950803120.db2.gz LJWZKSGSTQIQRN-MNOVXSKESA-N 0 1 375.462 0.593 20 0 GCADMN C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ccncc3-c3nn[nH]n3)c2C1 ZINC001576219849 950812820 /nfs/dbraw/zinc/81/28/20/950812820.db2.gz VPKQUZAPKHPFHU-LLVKDONJSA-N 0 1 381.444 0.976 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001575010184 950813387 /nfs/dbraw/zinc/81/33/87/950813387.db2.gz CFBHEIHBYYKIPF-GMTAPVOTSA-N 0 1 383.416 0.298 20 0 GCADMN C[C@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ccncc3-c3nn[nH]n3)c2C1 ZINC001576219850 950814422 /nfs/dbraw/zinc/81/44/22/950814422.db2.gz VPKQUZAPKHPFHU-NSHDSACASA-N 0 1 381.444 0.976 20 0 GCADMN CC(C)(C)c1nc(CN2CC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n[nH]1 ZINC001573885126 950815539 /nfs/dbraw/zinc/81/55/39/950815539.db2.gz PPNVVYMZSRLOBS-LLVKDONJSA-N 0 1 384.448 0.615 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576219951 950822604 /nfs/dbraw/zinc/82/26/04/950822604.db2.gz PIAXSIZUARPMLD-CHWSQXEVSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@H](CN(C)C(=O)c1noc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766780 950826785 /nfs/dbraw/zinc/82/67/85/950826785.db2.gz KURSCVCGIHCOBL-SNVBAGLBSA-N 0 1 383.416 0.518 20 0 GCADMN C[C@@H](CN(C)[C@H]1CCN(C2CCC2)C1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574767131 950837614 /nfs/dbraw/zinc/83/76/14/950837614.db2.gz MCNQRDQIXXRUOQ-NHYWBVRUSA-N 0 1 386.460 0.398 20 0 GCADMN CC(C)(C)c1nc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)co1 ZINC001573885924 950839280 /nfs/dbraw/zinc/83/92/80/950839280.db2.gz XSMPXMMEKXFRJY-SNVBAGLBSA-N 0 1 386.416 0.172 20 0 GCADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1nc[nH]n1 ZINC001575933274 950840738 /nfs/dbraw/zinc/84/07/38/950840738.db2.gz NTQJJBKUSIQJGD-NTSWFWBYSA-N 0 1 380.825 0.810 20 0 GCADMN CC(C)C(=O)N1C[C@H](C)OC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576221704 950859722 /nfs/dbraw/zinc/85/97/22/950859722.db2.gz WBGWPVGEFWJKQS-ZDUSSCGKSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C(F)F)CC2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576222135 950865735 /nfs/dbraw/zinc/86/57/35/950865735.db2.gz XIELPHDWARVQCQ-NXEZZACHSA-N 0 1 378.387 0.773 20 0 GCADMN C[C@H](CN(C)C(=O)c1n[nH]c2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767889 950869674 /nfs/dbraw/zinc/86/96/74/950869674.db2.gz VAHQJAYIYMTEFJ-SNVBAGLBSA-N 0 1 378.400 0.528 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001573888597 950870168 /nfs/dbraw/zinc/87/01/68/950870168.db2.gz WYPDFWUTVFYPSF-JTQLQIEISA-N 0 1 386.416 0.172 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576225910 950874556 /nfs/dbraw/zinc/87/45/56/950874556.db2.gz ABYJIWFQSHRQGH-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576225910 950874571 /nfs/dbraw/zinc/87/45/71/950874571.db2.gz ABYJIWFQSHRQGH-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574524889 950878241 /nfs/dbraw/zinc/87/82/41/950878241.db2.gz ZZSYKKUXUBPTSD-MNOVXSKESA-N 0 1 391.501 0.827 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CNC(=O)C1CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574524889 950878255 /nfs/dbraw/zinc/87/82/55/950878255.db2.gz ZZSYKKUXUBPTSD-MNOVXSKESA-N 0 1 391.501 0.827 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576226003 950879572 /nfs/dbraw/zinc/87/95/72/950879572.db2.gz AJTGBBJDYHFQCB-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576226003 950879578 /nfs/dbraw/zinc/87/95/78/950879578.db2.gz AJTGBBJDYHFQCB-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CCC2)C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576226862 950892147 /nfs/dbraw/zinc/89/21/47/950892147.db2.gz CLHUGDHWOZNVAI-KPZWWZAWSA-N 0 1 384.444 0.653 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)n1 ZINC001574527570 950897236 /nfs/dbraw/zinc/89/72/36/950897236.db2.gz DMHRYVMYRBZBNX-VHSXEESVSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)n1 ZINC001574527570 950897252 /nfs/dbraw/zinc/89/72/52/950897252.db2.gz DMHRYVMYRBZBNX-VHSXEESVSA-N 0 1 375.462 0.743 20 0 GCADMN CC(C)c1nnsc1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768692 950899414 /nfs/dbraw/zinc/89/94/14/950899414.db2.gz VIEOCKTTWYNQKU-VIFPVBQESA-N 0 1 388.461 0.626 20 0 GCADMN C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575936178 950907370 /nfs/dbraw/zinc/90/73/70/950907370.db2.gz CPEDYWLPZUUSNS-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575936178 950907384 /nfs/dbraw/zinc/90/73/84/950907384.db2.gz CPEDYWLPZUUSNS-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001573893980 950912444 /nfs/dbraw/zinc/91/24/44/950912444.db2.gz HDQNUJUGROKOAR-ZDUSSCGKSA-N 0 1 381.444 0.962 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576227525 950916670 /nfs/dbraw/zinc/91/66/70/950916670.db2.gz DNIHJBDGKCXNMQ-STQMWFEESA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576227525 950916685 /nfs/dbraw/zinc/91/66/85/950916685.db2.gz DNIHJBDGKCXNMQ-STQMWFEESA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)c1N ZINC001574528114 950924423 /nfs/dbraw/zinc/92/44/23/950924423.db2.gz LGHOJJFOYWSMLT-VHSXEESVSA-N 0 1 389.489 0.931 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)c1N ZINC001574528114 950924450 /nfs/dbraw/zinc/92/44/50/950924450.db2.gz LGHOJJFOYWSMLT-VHSXEESVSA-N 0 1 389.489 0.931 20 0 GCADMN CC1(C)C[C@@H]1C(=O)N1CC[C@]2(C1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001575642910 950951759 /nfs/dbraw/zinc/95/17/59/950951759.db2.gz JKGZJVWEMYESGH-KZULUSFZSA-N 0 1 384.444 0.511 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576229074 950957883 /nfs/dbraw/zinc/95/78/83/950957883.db2.gz IRYUTSAPKMRDCJ-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576229074 950957905 /nfs/dbraw/zinc/95/79/05/950957905.db2.gz IRYUTSAPKMRDCJ-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN CC1(C)C[C@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643103 950960230 /nfs/dbraw/zinc/96/02/30/950960230.db2.gz XXWIYLYICQUVCD-OLZOCXBDSA-N 0 1 386.460 0.947 20 0 GCADMN CC(C)(CC(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573897392 950960436 /nfs/dbraw/zinc/96/04/36/950960436.db2.gz PAIZWFFUCSJGOG-ZDUSSCGKSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)(CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C1CC1 ZINC001573897438 950960560 /nfs/dbraw/zinc/96/05/60/950960560.db2.gz PCLBURYAJCUAOW-STQMWFEESA-N 0 1 386.460 0.539 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576229809 950978014 /nfs/dbraw/zinc/97/80/14/950978014.db2.gz OFZGBPLMQSMMEO-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576229809 950978033 /nfs/dbraw/zinc/97/80/33/950978033.db2.gz OFZGBPLMQSMMEO-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001575939100 951002893 /nfs/dbraw/zinc/00/28/93/951002893.db2.gz PAEILLRMZMTILC-CHWSQXEVSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575018646 951024729 /nfs/dbraw/zinc/02/47/29/951024729.db2.gz NVZZCABSWHVZFQ-SNVBAGLBSA-N 0 1 388.457 0.272 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575018646 951024745 /nfs/dbraw/zinc/02/47/45/951024745.db2.gz NVZZCABSWHVZFQ-SNVBAGLBSA-N 0 1 388.457 0.272 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1occc1CN(C)C ZINC001575019954 951052627 /nfs/dbraw/zinc/05/26/27/951052627.db2.gz XBCCYNFWKXQWTE-JTQLQIEISA-N 0 1 386.416 0.398 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575021231 951060971 /nfs/dbraw/zinc/06/09/71/951060971.db2.gz CEWRZSWZSPWLDU-GFCCVEGCSA-N 0 1 381.444 0.371 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)o1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575022034 951068476 /nfs/dbraw/zinc/06/84/76/951068476.db2.gz GEYFTIBGGJNQOI-VIFPVBQESA-N 0 1 387.375 0.606 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575023228 951076206 /nfs/dbraw/zinc/07/62/06/951076206.db2.gz KSVUFMQRPCAOTK-MRVPVSSYSA-N 0 1 387.429 0.072 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024383 951100879 /nfs/dbraw/zinc/10/08/79/951100879.db2.gz CNTKIPSWGFWIJO-LLVKDONJSA-N 0 1 379.428 0.301 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(N(C)C)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575025494 951129887 /nfs/dbraw/zinc/12/98/87/951129887.db2.gz ZPUPFZZIJNPYCD-LBPRGKRZSA-N 0 1 381.444 0.977 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025441 951130762 /nfs/dbraw/zinc/13/07/62/951130762.db2.gz ZJFMJYMCVRMAGG-LLVKDONJSA-N 0 1 380.412 0.492 20 0 GCADMN C[C@H](CNC(=O)c1cccc(=O)n1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575027040 951152026 /nfs/dbraw/zinc/15/20/26/951152026.db2.gz OWKYSJMMHBTOCD-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1COCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575027293 951156022 /nfs/dbraw/zinc/15/60/22/951156022.db2.gz DRCVZUYGRMMKBB-GFCCVEGCSA-N 0 1 379.424 0.987 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2cccnc2c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028107 951167086 /nfs/dbraw/zinc/16/70/86/951167086.db2.gz VEBXCTXHXDZQFQ-NSHDSACASA-N 0 1 375.396 0.857 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1O[C@H](C)C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028179 951169507 /nfs/dbraw/zinc/16/95/07/951169507.db2.gz LXQSZIYLJKPIIR-GHMZBOCLSA-N 0 1 380.412 0.632 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2ncn(C)c21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028142 951169596 /nfs/dbraw/zinc/16/95/96/951169596.db2.gz LFVGSWSXKIYMDD-JTQLQIEISA-N 0 1 378.400 0.196 20 0 GCADMN CC(C)Oc1ncccc1C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575031767 951204958 /nfs/dbraw/zinc/20/49/58/951204958.db2.gz ILDDZKDHVGQVEZ-NSHDSACASA-N 0 1 383.416 0.491 20 0 GCADMN O=C([O-])CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001595008391 951231348 /nfs/dbraw/zinc/23/13/48/951231348.db2.gz LHNIOYICJMAVGI-DLBZAZTESA-N 0 1 395.500 0.946 20 0 GCADMN C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccncc1-c1nn[nH]n1 ZINC001575034292 951243673 /nfs/dbraw/zinc/24/36/73/951243673.db2.gz KYKXJPLNUIBXMU-GFCCVEGCSA-N 0 1 381.444 0.911 20 0 GCADMN C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575034499 951251389 /nfs/dbraw/zinc/25/13/89/951251389.db2.gz BWKQQKLVQHCTGC-JTQLQIEISA-N 0 1 391.386 0.623 20 0 GCADMN C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575035520 951277755 /nfs/dbraw/zinc/27/77/55/951277755.db2.gz JVKKLXZRVBBDPP-JTQLQIEISA-N 0 1 380.416 0.224 20 0 GCADMN C[C@H](CNC(=O)c1ccnc(C2CC2)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575035957 951285005 /nfs/dbraw/zinc/28/50/05/951285005.db2.gz MZBLWHMZZYUJBD-NSHDSACASA-N 0 1 379.428 0.829 20 0 GCADMN C[C@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575037024 951305132 /nfs/dbraw/zinc/30/51/32/951305132.db2.gz ZTGQIWOEVUKZEW-VIFPVBQESA-N 0 1 392.374 0.018 20 0 GCADMN C[C@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575037898 951310219 /nfs/dbraw/zinc/31/02/19/951310219.db2.gz FFJQZYYAIJNNIH-SECBINFHSA-N 0 1 389.441 0.457 20 0 GCADMN C[C@H](CNC(=O)c1ccoc1CC(N)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575037898 951310239 /nfs/dbraw/zinc/31/02/39/951310239.db2.gz FFJQZYYAIJNNIH-SECBINFHSA-N 0 1 389.441 0.457 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)ccc1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575041799 951353270 /nfs/dbraw/zinc/35/32/70/951353270.db2.gz CJTXFMCHJCHOFG-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575043515 951395245 /nfs/dbraw/zinc/39/52/45/951395245.db2.gz SNKUFCRKBXRCSO-ZCFIWIBFSA-N 0 1 382.841 0.360 20 0 GCADMN C[C@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043643 951400467 /nfs/dbraw/zinc/40/04/67/951400467.db2.gz LFPDXCQJYQOMGE-LLVKDONJSA-N 0 1 382.432 0.372 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043841 951401924 /nfs/dbraw/zinc/40/19/24/951401924.db2.gz VXLQKODUZPDZIN-JTQLQIEISA-N 0 1 382.432 0.522 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043843 951402953 /nfs/dbraw/zinc/40/29/53/951402953.db2.gz VXLQKODUZPDZIN-SNVBAGLBSA-N 0 1 382.432 0.522 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575044350 951412297 /nfs/dbraw/zinc/41/22/97/951412297.db2.gz RJRZGLLXKFJFLF-JTQLQIEISA-N 0 1 380.416 0.579 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575044327 951413000 /nfs/dbraw/zinc/41/30/00/951413000.db2.gz RIORTFFFUBYUFF-NSHDSACASA-N 0 1 382.432 0.089 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575045738 951432942 /nfs/dbraw/zinc/43/29/42/951432942.db2.gz GJWUBKLDGRSGQO-GFCCVEGCSA-N 0 1 381.444 0.837 20 0 GCADMN C[C@H](CNC(=O)c1cncn1C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575046389 951440791 /nfs/dbraw/zinc/44/07/91/951440791.db2.gz NQMWMFGPKWKJJE-SSDOTTSWSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575047191 951453958 /nfs/dbraw/zinc/45/39/58/951453958.db2.gz ZBZIENUPAWNGJJ-JTQLQIEISA-N 0 1 388.457 0.563 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1CCOC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575047191 951453965 /nfs/dbraw/zinc/45/39/65/951453965.db2.gz ZBZIENUPAWNGJJ-JTQLQIEISA-N 0 1 388.457 0.563 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C2CCC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575051961 951457232 /nfs/dbraw/zinc/45/72/32/951457232.db2.gz BZAJNRLFNOSSPW-NSHDSACASA-N 0 1 382.432 0.833 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575052904 951473276 /nfs/dbraw/zinc/47/32/76/951473276.db2.gz QBGYCUNKLSOSEZ-QMMMGPOBSA-N 0 1 378.347 0.148 20 0 GCADMN C[C@@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575057325 951524726 /nfs/dbraw/zinc/52/47/26/951524726.db2.gz OBGKRZUADJKSJU-ZETCQYMHSA-N 0 1 382.306 0.921 20 0 GCADMN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575057454 951528144 /nfs/dbraw/zinc/52/81/44/951528144.db2.gz PJZHURUOCPVGCM-VIFPVBQESA-N 0 1 389.441 0.870 20 0 GCADMN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575057454 951528154 /nfs/dbraw/zinc/52/81/54/951528154.db2.gz PJZHURUOCPVGCM-VIFPVBQESA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](CNC(=O)c1coc(C(N)=O)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575058018 951531777 /nfs/dbraw/zinc/53/17/77/951531777.db2.gz UDYYNTLMDBLWAK-SECBINFHSA-N 0 1 387.375 0.606 20 0 GCADMN C[C@@H](CNC(=O)c1coc(CC2CC2)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575058016 951533672 /nfs/dbraw/zinc/53/36/72/951533672.db2.gz UBPFNVNDNLEHHY-SNVBAGLBSA-N 0 1 383.416 0.497 20 0 GCADMN C[C@H](CNC(=O)c1conc1C1CCCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575059039 951538031 /nfs/dbraw/zinc/53/80/31/951538031.db2.gz YAKKNIPAJLZNJV-SNVBAGLBSA-N 0 1 383.416 0.955 20 0 GCADMN C[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)Nc1ccncc1-c1nn[nH]n1 ZINC001575060747 951547944 /nfs/dbraw/zinc/54/79/44/951547944.db2.gz FNAKAZBJKZUGIW-SNVBAGLBSA-N 0 1 391.395 0.563 20 0 GCADMN C[C@H](CNC(=O)c1ncc(F)cc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575060862 951549369 /nfs/dbraw/zinc/54/93/69/951549369.db2.gz IJEXFMPFXXMXMV-MRVPVSSYSA-N 0 1 375.343 0.585 20 0 GCADMN C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575064746 951576290 /nfs/dbraw/zinc/57/62/90/951576290.db2.gz CVXLPQFTXUVJIE-NXEZZACHSA-N 0 1 385.388 0.149 20 0 GCADMN C[C@H](CNC(=O)c1ncc2n1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575065279 951580875 /nfs/dbraw/zinc/58/08/75/951580875.db2.gz BDXTZUVZIOWODW-NSHDSACASA-N 0 1 382.432 0.089 20 0 GCADMN C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001575065458 951586990 /nfs/dbraw/zinc/58/69/90/951586990.db2.gz HITFWASEYDQZRJ-MFKMUULPSA-N 0 1 384.400 0.754 20 0 GCADMN C[C@H](CNC(=O)c1ncsc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575066852 951598892 /nfs/dbraw/zinc/59/88/92/951598892.db2.gz MZKDXNGNQAHBAX-VIFPVBQESA-N 0 1 385.457 0.891 20 0 GCADMN O=C([O-])CN1CC[C@H](N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1=O ZINC001595072569 951610252 /nfs/dbraw/zinc/61/02/52/951610252.db2.gz ZHNHWQMMLDDPLK-KRWDZBQOSA-N 0 1 394.516 0.376 20 0 GCADMN C[C@H](CNC(=O)c1scnc1Cl)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575068571 951635819 /nfs/dbraw/zinc/63/58/19/951635819.db2.gz BCJHEZXLKAZOMJ-ZETCQYMHSA-N 0 1 379.837 0.667 20 0 GCADMN C[C@@H](CNCC(=O)Nc1nccs1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077331 951666419 /nfs/dbraw/zinc/66/64/19/951666419.db2.gz FVJPQFCDJLTMKB-VIFPVBQESA-N 0 1 389.445 0.340 20 0 GCADMN C[C@H](CNCC(=O)Nc1nccs1)N(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575077330 951666564 /nfs/dbraw/zinc/66/65/64/951666564.db2.gz FVJPQFCDJLTMKB-SECBINFHSA-N 0 1 389.445 0.340 20 0 GCADMN C[C@H](CNCC(=O)Nc1nccs1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575077382 951667398 /nfs/dbraw/zinc/66/73/98/951667398.db2.gz GOROYQQFLRTDLM-SECBINFHSA-N 0 1 389.445 0.340 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1=O ZINC001595081923 951689770 /nfs/dbraw/zinc/68/97/70/951689770.db2.gz DLVVGVNNHIBVIS-SJORKVTESA-N 0 1 389.452 0.193 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1=O ZINC001595082948 951704245 /nfs/dbraw/zinc/70/42/45/951704245.db2.gz IDLWSLYLUKJXKI-MSOLQXFVSA-N 0 1 387.480 0.990 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)C[C@@H]1CCNC1=O ZINC001575088676 951741106 /nfs/dbraw/zinc/74/11/06/951741106.db2.gz AFGRZMKYHOLOPB-YPMHNXCESA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCCC(N)=O ZINC001575091955 951787376 /nfs/dbraw/zinc/78/73/76/951787376.db2.gz ZRNAUFFEVNKWER-LLVKDONJSA-N 0 1 377.424 0.598 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575098439 951823884 /nfs/dbraw/zinc/82/38/84/951823884.db2.gz DAQUHCQWEQWDEC-DIFFPNOSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575098439 951823893 /nfs/dbraw/zinc/82/38/93/951823893.db2.gz DAQUHCQWEQWDEC-DIFFPNOSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098760 951826234 /nfs/dbraw/zinc/82/62/34/951826234.db2.gz GHZZKQYUUFDXKK-NSHDSACASA-N 0 1 389.489 0.531 20 0 GCADMN C[C@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098760 951826241 /nfs/dbraw/zinc/82/62/41/951826241.db2.gz GHZZKQYUUFDXKK-NSHDSACASA-N 0 1 389.489 0.531 20 0 GCADMN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099402 951835708 /nfs/dbraw/zinc/83/57/08/951835708.db2.gz LIZMNRKPWBGCAU-GTNSWQLSSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)[C@@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099402 951835713 /nfs/dbraw/zinc/83/57/13/951835713.db2.gz LIZMNRKPWBGCAU-GTNSWQLSSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099396 951835821 /nfs/dbraw/zinc/83/58/21/951835821.db2.gz LHORAQDFIRUPRL-VHSXEESVSA-N 0 1 380.478 0.217 20 0 GCADMN C[C@H](CNC(=O)C[C@@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099396 951835830 /nfs/dbraw/zinc/83/58/30/951835830.db2.gz LHORAQDFIRUPRL-VHSXEESVSA-N 0 1 380.478 0.217 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099527 951837117 /nfs/dbraw/zinc/83/71/17/951837117.db2.gz MOUSSQKNKXTVCS-LBPRGKRZSA-N 0 1 391.501 0.783 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099527 951837122 /nfs/dbraw/zinc/83/71/22/951837122.db2.gz MOUSSQKNKXTVCS-LBPRGKRZSA-N 0 1 391.501 0.783 20 0 GCADMN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100185 951843666 /nfs/dbraw/zinc/84/36/66/951843666.db2.gz RVQTYSVMVODSTI-MNOVXSKESA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100185 951843675 /nfs/dbraw/zinc/84/36/75/951843675.db2.gz RVQTYSVMVODSTI-MNOVXSKESA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100890 951849168 /nfs/dbraw/zinc/84/91/68/951849168.db2.gz WFQOTCJMEVWITN-LLVKDONJSA-N 0 1 387.469 0.783 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100890 951849176 /nfs/dbraw/zinc/84/91/76/951849176.db2.gz WFQOTCJMEVWITN-LLVKDONJSA-N 0 1 387.469 0.783 20 0 GCADMN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101048 951851851 /nfs/dbraw/zinc/85/18/51/951851851.db2.gz YEPYEKPKCWCORS-LBPRGKRZSA-N 0 1 379.490 0.102 20 0 GCADMN C[C@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101048 951851856 /nfs/dbraw/zinc/85/18/56/951851856.db2.gz YEPYEKPKCWCORS-LBPRGKRZSA-N 0 1 379.490 0.102 20 0 GCADMN C[C@@H](CNCc1nn(C)cc1Cl)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116535 951971632 /nfs/dbraw/zinc/97/16/32/951971632.db2.gz DKJGKDALLVQDTK-VIFPVBQESA-N 0 1 377.840 0.737 20 0 GCADMN C[C@@H](CNCc1nn(C)cc1Cl)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118823 951986023 /nfs/dbraw/zinc/98/60/23/951986023.db2.gz TXOZLTSMQKQROP-VIFPVBQESA-N 0 1 377.840 0.737 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC001575139787 952141904 /nfs/dbraw/zinc/14/19/04/952141904.db2.gz CAZGCPBCHMPVLB-QWHCGFSZSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)Cc1cscn1)C1CC1 ZINC001575140533 952142137 /nfs/dbraw/zinc/14/21/37/952142137.db2.gz DOHHOUUARRILLP-INIZCTEOSA-N 0 1 385.457 0.475 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC001575140714 952143554 /nfs/dbraw/zinc/14/35/54/952143554.db2.gz FMKWVGKUOUNXOP-ZIVKBKJYSA-N 0 1 384.444 0.343 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)c1cccnc1 ZINC001575142148 952147183 /nfs/dbraw/zinc/14/71/83/952147183.db2.gz JFYLENUVVJQEDF-LBPRGKRZSA-N 0 1 381.444 0.710 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001575142699 952148092 /nfs/dbraw/zinc/14/80/92/952148092.db2.gz KWORBQALPUVFQI-CYBMUJFWSA-N 0 1 387.492 0.602 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)[C@@H]1CCCCO1 ZINC001575142732 952148377 /nfs/dbraw/zinc/14/83/77/952148377.db2.gz LESOBEQOOHVWBP-STQMWFEESA-N 0 1 388.476 0.933 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC[C@H]1CCCO1)C1CC1 ZINC001575143136 952149961 /nfs/dbraw/zinc/14/99/61/952149961.db2.gz NWEXQAUNLQJQPR-FZKQIMNGSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CCCc1cccnc1 ZINC001575143102 952150150 /nfs/dbraw/zinc/15/01/50/952150150.db2.gz NAVPERKQSAJCJQ-ZDUSSCGKSA-N 0 1 381.444 0.755 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575143362 952151140 /nfs/dbraw/zinc/15/11/40/952151140.db2.gz OYGHTEPBGUIYJR-KRWDZBQOSA-N 0 1 381.400 0.190 20 0 GCADMN O=C([O-])Cn1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1=O ZINC001595153963 952152773 /nfs/dbraw/zinc/15/27/73/952152773.db2.gz BSEBBJBBPDZRAM-AEFFLSMTSA-N 0 1 399.447 0.546 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(N(C)C)cc1 ZINC001575143474 952153131 /nfs/dbraw/zinc/15/31/31/952153131.db2.gz ASVFPCWUZAVDFA-GFCCVEGCSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccnc(N(C)C)c1 ZINC001575143387 952153419 /nfs/dbraw/zinc/15/34/19/952153419.db2.gz AAZSEQIEFAICNC-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575143594 952154587 /nfs/dbraw/zinc/15/45/87/952154587.db2.gz BKUMLOGCKMFDRZ-LLVKDONJSA-N 0 1 382.432 0.184 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCn1ccnn1)C1CC1 ZINC001575143592 952154676 /nfs/dbraw/zinc/15/46/76/952154676.db2.gz BKGMDCSUILLEDL-QGZVFWFLSA-N 0 1 382.432 0.062 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC001575143516 952154732 /nfs/dbraw/zinc/15/47/32/952154732.db2.gz AWURVVYTYMOMQV-GWCFXTLKSA-N 0 1 389.464 0.025 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)on1 ZINC001575143725 952156160 /nfs/dbraw/zinc/15/61/60/952156160.db2.gz CGAXESJXUJMYEI-SNVBAGLBSA-N 0 1 385.432 0.937 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C(C)(C)N1CCOCC1 ZINC001575144014 952161435 /nfs/dbraw/zinc/16/14/35/952161435.db2.gz FNIIFLFQOJDVQU-ZDUSSCGKSA-N 0 1 388.476 0.053 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575144606 952167823 /nfs/dbraw/zinc/16/78/23/952167823.db2.gz JKVNZFNVOKUOSQ-MNOVXSKESA-N 0 1 382.432 0.181 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575144716 952170184 /nfs/dbraw/zinc/17/01/84/952170184.db2.gz KSZLTVMFMSXISZ-INIZCTEOSA-N 0 1 381.387 0.662 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cccnc1C(F)F ZINC001575144844 952172690 /nfs/dbraw/zinc/17/26/90/952172690.db2.gz MUUSJEUBQWAFJM-VIFPVBQESA-N 0 1 389.370 0.984 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1Cc2ccc(F)cc21 ZINC001575144951 952175569 /nfs/dbraw/zinc/17/55/69/952175569.db2.gz ZOOBWPJMIUJFBD-HZMBPMFUSA-N 0 1 382.403 0.816 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC001575145071 952177171 /nfs/dbraw/zinc/17/71/71/952177171.db2.gz PCQHHJFNEIUNEG-RYUDHWBXSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCn1cncn1)C1CC1 ZINC001575145098 952178355 /nfs/dbraw/zinc/17/83/55/952178355.db2.gz PXFCERHKJOHCJH-QGZVFWFLSA-N 0 1 382.432 0.062 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575145182 952180411 /nfs/dbraw/zinc/18/04/11/952180411.db2.gz RVSBNKQVTNGQDS-VXGBXAGGSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC001575145180 952180482 /nfs/dbraw/zinc/18/04/82/952180482.db2.gz RVSBNKQVTNGQDS-NWDGAFQWSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCCN(C)C1=O ZINC001575145314 952181475 /nfs/dbraw/zinc/18/14/75/952181475.db2.gz VQEMZQKUZZEKNC-STQMWFEESA-N 0 1 386.460 0.201 20 0 GCADMN CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=O)c2cc(C(=O)[O-])n[nH]2)CC1 ZINC001602893356 971810340 /nfs/dbraw/zinc/81/03/40/971810340.db2.gz UGEPXLAUZCNCSJ-UHFFFAOYSA-N 0 1 381.433 0.781 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(Cl)cn1C ZINC001575145358 952183413 /nfs/dbraw/zinc/18/34/13/952183413.db2.gz WGPFVPGYUAWUNM-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 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377.412 0.793 20 0 GCADMN O=C(NCc1ccc(-c2nn[nH]n2)s1)N1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001571128133 952563892 /nfs/dbraw/zinc/56/38/92/952563892.db2.gz QHUNOHJFGDNGFE-STQMWFEESA-N 0 1 377.474 0.669 20 0 GCADMN CC(F)(F)C(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001575214591 952564982 /nfs/dbraw/zinc/56/49/82/952564982.db2.gz MVXJYDFVROHQJE-RKDXNWHRSA-N 0 1 382.375 0.004 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001575221674 952570551 /nfs/dbraw/zinc/57/05/51/952570551.db2.gz ARSPPRUFVZEZES-SECBINFHSA-N 0 1 386.428 0.930 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001575221674 952570556 /nfs/dbraw/zinc/57/05/56/952570556.db2.gz ARSPPRUFVZEZES-SECBINFHSA-N 0 1 386.428 0.930 20 0 GCADMN O=C(CC1CC(F)(F)C1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571130859 952582351 /nfs/dbraw/zinc/58/23/51/952582351.db2.gz XJNHOFJKWFZYOE-LLVKDONJSA-N 0 1 378.387 0.917 20 0 GCADMN Cc1ccc(CC(=O)NC2CC(CNc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571134361 952590055 /nfs/dbraw/zinc/59/00/55/952590055.db2.gz HVHNIBHUEYZOCA-UHFFFAOYSA-N 0 1 378.440 0.936 20 0 GCADMN C[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571134681 952593518 /nfs/dbraw/zinc/59/35/18/952593518.db2.gz JSNLLGVMLXRDKX-CXAGYDPISA-N 0 1 378.440 0.970 20 0 GCADMN CCOC(=O)[C@@](C)(CNC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1)CC(C)C ZINC001571134740 952595282 /nfs/dbraw/zinc/59/52/82/952595282.db2.gz KVBLRJZFOAMNPP-MEDUHNTESA-N 0 1 378.437 0.751 20 0 GCADMN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)[C@@H]1COCCO1 ZINC001571142296 952639932 /nfs/dbraw/zinc/63/99/32/952639932.db2.gz OLPCWDXQOJUTOM-XIVSLSHWSA-N 0 1 378.458 0.328 20 0 GCADMN O=C(NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)[C@@H]1COCCO1 ZINC001571142296 952639933 /nfs/dbraw/zinc/63/99/33/952639933.db2.gz OLPCWDXQOJUTOM-XIVSLSHWSA-N 0 1 378.458 0.328 20 0 GCADMN COc1ccc(CC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cc1 ZINC001571142401 952641311 /nfs/dbraw/zinc/64/13/11/952641311.db2.gz UHAIJCAKXNHUGQ-CQSZACIVSA-N 0 1 379.424 0.948 20 0 GCADMN O=C(CC1OCCCO1)N1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571142756 952646369 /nfs/dbraw/zinc/64/63/69/952646369.db2.gz XPJNQCXBZIFLNH-NSHDSACASA-N 0 1 378.458 0.772 20 0 GCADMN O=C(CC1OCCCO1)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571142756 952646371 /nfs/dbraw/zinc/64/63/71/952646371.db2.gz XPJNQCXBZIFLNH-NSHDSACASA-N 0 1 378.458 0.772 20 0 GCADMN Cn1ccc(C(=O)NC2CC3(C2)CC(Nc2ccncc2-c2nn[nH]n2)C3)n1 ZINC001571146065 952646748 /nfs/dbraw/zinc/64/67/48/952646748.db2.gz BOMLVEHYNQXIJH-UHFFFAOYSA-N 0 1 379.428 0.570 20 0 GCADMN Cc1ncncc1C(=O)N[C@H]1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571146040 952646843 /nfs/dbraw/zinc/64/68/43/952646843.db2.gz APORXZBLMHJXPZ-STQMWFEESA-N 0 1 379.428 0.935 20 0 GCADMN CCc1n[nH]cc1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571146793 952653469 /nfs/dbraw/zinc/65/34/69/952653469.db2.gz CFVOBTUAWHVTJL-VIKVFOODSA-N 0 1 379.428 0.720 20 0 GCADMN O=C(NC[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cn1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001571146880 952654801 /nfs/dbraw/zinc/65/48/01/952654801.db2.gz ORNYIDZLYDALMQ-MGPQQGTHSA-N 0 1 379.428 0.874 20 0 GCADMN Cn1cccc1C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571147101 952656331 /nfs/dbraw/zinc/65/63/31/952656331.db2.gz SXKLIEVNMIOJFD-CYBMUJFWSA-N 0 1 379.428 0.784 20 0 GCADMN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)[C@H](C)n1cnc(-c2nn[nH]n2)n1 ZINC001571147167 952658099 /nfs/dbraw/zinc/65/80/99/952658099.db2.gz HZDZWPWQTFHBGH-GUBZILKMSA-N 0 1 379.425 0.437 20 0 GCADMN Cn1cncc1C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571147296 952659946 /nfs/dbraw/zinc/65/99/46/952659946.db2.gz WROXZFNXEKJZLS-SFHVURJKSA-N 0 1 379.428 0.738 20 0 GCADMN CCc1ccnc(C(=O)N(C)C2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571147343 952660937 /nfs/dbraw/zinc/66/09/37/952660937.db2.gz KOSJWEAVGUANTH-UHFFFAOYSA-N 0 1 379.428 0.751 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccncn2)CC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571147789 952663260 /nfs/dbraw/zinc/66/32/60/952663260.db2.gz QGUQXEREMJSBOQ-OLZOCXBDSA-N 0 1 379.428 0.684 20 0 GCADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)CCc2ccccn2)C1 ZINC001571148243 952666388 /nfs/dbraw/zinc/66/63/88/952666388.db2.gz WSFKBJAHMXPODU-AWEZNQCLSA-N 0 1 379.428 0.722 20 0 GCADMN O=C(Cn1ccnc1)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571152062 952681570 /nfs/dbraw/zinc/68/15/70/952681570.db2.gz CEAXNBUGRNXLHZ-MRVPVSSYSA-N 0 1 379.837 0.886 20 0 GCADMN COc1c(F)cc(NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)c(OC)c1F ZINC001571152994 952684960 /nfs/dbraw/zinc/68/49/60/952684960.db2.gz MXNADWMUOIJPGC-ZCFIWIBFSA-N 0 1 380.315 0.953 20 0 GCADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1Cc2ccc(F)cc21 ZINC001571155173 952693769 /nfs/dbraw/zinc/69/37/69/952693769.db2.gz JUMCKWCNFGCAMP-GXTWGEPZSA-N 0 1 380.387 0.831 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21)c1cnccn1 ZINC001571155299 952695026 /nfs/dbraw/zinc/69/50/26/952695026.db2.gz NGWJSMJVVKPRCJ-VIKVFOODSA-N 0 1 380.387 0.656 20 0 GCADMN Cc1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)cc(C)n1 ZINC001571156021 952700907 /nfs/dbraw/zinc/70/09/07/952700907.db2.gz AWSMPZWMILRQJL-TZMCWYRMSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1ccnn1CC(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571156034 952701571 /nfs/dbraw/zinc/70/15/71/952701571.db2.gz BDZWSAUISOXZQV-KBPBESRZSA-N 0 1 379.428 0.565 20 0 GCADMN Cc1cnc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cc1C ZINC001571156704 952703149 /nfs/dbraw/zinc/70/31/49/952703149.db2.gz HIFIOFYTUQOGEF-ZDUSSCGKSA-N 0 1 379.428 0.665 20 0 GCADMN Cc1cnccc1C(=O)N[C@@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571156709 952703763 /nfs/dbraw/zinc/70/37/63/952703763.db2.gz HLBRKGVSXSMXDD-QWHCGFSZSA-N 0 1 379.428 0.935 20 0 GCADMN Cc1cc(NC[C@@H]2CCCCN2C(=O)c2ccncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156678 952704001 /nfs/dbraw/zinc/70/40/01/952704001.db2.gz GWGRYLPIGVDMHL-ZDUSSCGKSA-N 0 1 379.428 0.889 20 0 GCADMN Cc1cc(N2CC[C@@H](NC(=O)c3cn4c(n3)CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571157254 952706957 /nfs/dbraw/zinc/70/69/57/952706957.db2.gz OBLHYKHNJJTYAH-GFCCVEGCSA-N 0 1 379.428 0.722 20 0 GCADMN COc1ccnc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)c1 ZINC001571158703 952713461 /nfs/dbraw/zinc/71/34/61/952713461.db2.gz MVTXAWWEQTVLKB-NWDGAFQWSA-N 0 1 380.412 0.802 20 0 GCADMN Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001571158881 952714844 /nfs/dbraw/zinc/71/48/44/952714844.db2.gz SXXBLCPLZUKMDU-CHWSQXEVSA-N 0 1 379.428 0.935 20 0 GCADMN Cc1cc(NCC[C@H]2CCN(C(=O)c3cccnn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159792 952721767 /nfs/dbraw/zinc/72/17/67/952721767.db2.gz WWLXITWHAPMUPD-ZDUSSCGKSA-N 0 1 379.428 0.746 20 0 GCADMN Cc1cc(NC2CCN(C(=O)c3cncnc3C)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159797 952722289 /nfs/dbraw/zinc/72/22/89/952722289.db2.gz XEQQLROEPHTWDS-UHFFFAOYSA-N 0 1 379.428 0.807 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](CNc3ccncc3-c3nn[nH]n3)[C@H](C)C2)ncn1 ZINC001571160284 952725428 /nfs/dbraw/zinc/72/54/28/952725428.db2.gz XWOQELJSKBLZHY-DGCLKSJQSA-N 0 1 379.428 0.602 20 0 GCADMN O=C(Cc1cc(C2CC2)no1)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571161392 952731861 /nfs/dbraw/zinc/73/18/61/952731861.db2.gz UOBWGQCRHOVNRJ-LBPRGKRZSA-N 0 1 380.412 0.805 20 0 GCADMN Cc1c[nH]c(C(=O)N2CC[C@H]3[C@@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571161821 952735276 /nfs/dbraw/zinc/73/52/76/952735276.db2.gz BGFJUWPOJNJNPQ-RYUDHWBXSA-N 0 1 380.416 0.429 20 0 GCADMN Cc1c[nH]c(C(=O)N2CC[C@@H]3[C@H](CCN3c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571161822 952735576 /nfs/dbraw/zinc/73/55/76/952735576.db2.gz BGFJUWPOJNJNPQ-VXGBXAGGSA-N 0 1 380.416 0.429 20 0 GCADMN Cc1cc(N2[C@@H]3CC[C@H]2[C@H](NC(=O)Cn2cncn2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571161939 952736340 /nfs/dbraw/zinc/73/63/40/952736340.db2.gz FTJWFQJTNUCMRJ-BNOWGMLFSA-N 0 1 380.416 0.088 20 0 GCADMN CCn1cnc(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001571162022 952737639 /nfs/dbraw/zinc/73/76/39/952737639.db2.gz IATMOEXMCLUCAJ-TXEJJXNPSA-N 0 1 380.416 0.367 20 0 GCADMN Cc1cc(C(=O)N2CC[C@@H]([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)cnn1 ZINC001571162242 952740916 /nfs/dbraw/zinc/74/09/16/952740916.db2.gz OMDHFGUOQRACBT-NWDGAFQWSA-N 0 1 380.416 0.140 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)c2ncccn2)CC1 ZINC001571162640 952745531 /nfs/dbraw/zinc/74/55/31/952745531.db2.gz XBMPROXFPVEPNF-NSHDSACASA-N 0 1 380.416 0.221 20 0 GCADMN Cn1cc(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C2CC2)n1 ZINC001571165009 952746321 /nfs/dbraw/zinc/74/63/21/952746321.db2.gz AUUWRCKUIRGBBH-PHIMTYICSA-N 0 1 380.416 0.062 20 0 GCADMN C[C@@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)n1cncn1 ZINC001571162716 952746356 /nfs/dbraw/zinc/74/63/56/952746356.db2.gz YIMPAGAPUULMRN-RWMBFGLXSA-N 0 1 380.416 0.009 20 0 GCADMN O=C(N[C@H]1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cnccn1 ZINC001571165196 952748881 /nfs/dbraw/zinc/74/88/81/952748881.db2.gz FPYGVBHEFQSIRS-RYUDHWBXSA-N 0 1 380.416 0.269 20 0 GCADMN O=C(Cc1ncc[nH]1)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571165495 952752016 /nfs/dbraw/zinc/75/20/16/952752016.db2.gz IEMYQYDYAPJZPL-TXEJJXNPSA-N 0 1 380.416 0.192 20 0 GCADMN CC1(NS(=O)(=O)c2cccnc2-c2nn[nH]n2)CCC2(CC1)OCCO2 ZINC001571165955 952757313 /nfs/dbraw/zinc/75/73/13/952757313.db2.gz JIHDDNBNVIQDQL-UHFFFAOYSA-N 0 1 380.430 0.616 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ncccc1-c1nn[nH]n1 ZINC001571166940 952767630 /nfs/dbraw/zinc/76/76/30/952767630.db2.gz YVIWFHNVVQAMNO-NEPJUHHUSA-N 0 1 380.416 0.572 20 0 GCADMN COC[C@]1(CO)CCN(C(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC001571167156 952770598 /nfs/dbraw/zinc/77/05/98/952770598.db2.gz WQOBWHQXKNOZII-OAHLLOKOSA-N 0 1 380.430 0.160 20 0 GCADMN CCN(C(=O)c1cccc(=O)[nH]1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571171296 952793044 /nfs/dbraw/zinc/79/30/44/952793044.db2.gz QRPUFPNSJMMGNZ-LLVKDONJSA-N 0 1 381.400 0.498 20 0 GCADMN Cc1cc(=O)oc(C)c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571171793 952796802 /nfs/dbraw/zinc/79/68/02/952796802.db2.gz WHSXEERNLUXBDS-LBPRGKRZSA-N 0 1 381.396 0.580 20 0 GCADMN C[C@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001571171883 952797899 /nfs/dbraw/zinc/79/78/99/952797899.db2.gz YSHAPOZYNMTQGJ-TVQRCGJNSA-N 0 1 381.387 0.669 20 0 GCADMN Cn1ccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571172278 952804124 /nfs/dbraw/zinc/80/41/24/952804124.db2.gz RVGITBHIDKIRQV-INIZCTEOSA-N 0 1 380.456 0.924 20 0 GCADMN COc1cncc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571174781 952814078 /nfs/dbraw/zinc/81/40/78/952814078.db2.gz IAVNGFAIVZMEIR-LLVKDONJSA-N 0 1 381.400 0.377 20 0 GCADMN COc1ccc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nn1 ZINC001571174827 952815967 /nfs/dbraw/zinc/81/59/67/952815967.db2.gz JLZPPCRAVAWSCB-NSHDSACASA-N 0 1 381.400 0.117 20 0 GCADMN O=C(Cc1ccon1)NC1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571175305 952819070 /nfs/dbraw/zinc/81/90/70/952819070.db2.gz ALEBRJAWMDWZLJ-YHWZYXNKSA-N 0 1 381.400 0.503 20 0 GCADMN O=C(N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccc(=O)[nH]1 ZINC001571175397 952820743 /nfs/dbraw/zinc/82/07/43/952820743.db2.gz BZVHYXIYJGKRDA-MNOVXSKESA-N 0 1 381.400 0.190 20 0 GCADMN O=C(N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccc(=O)[nH]1 ZINC001571175401 952821200 /nfs/dbraw/zinc/82/12/00/952821200.db2.gz BZVHYXIYJGKRDA-WDEREUQCSA-N 0 1 381.400 0.190 20 0 GCADMN COc1cccnc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571175641 952823375 /nfs/dbraw/zinc/82/33/75/952823375.db2.gz YBURXBGXWGBCKP-GHMZBOCLSA-N 0 1 381.400 0.315 20 0 GCADMN Cc1conc1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@]2(C)C1 ZINC001571175716 952825470 /nfs/dbraw/zinc/82/54/70/952825470.db2.gz FWQRCCVMEWAOQU-DIFFPNOSSA-N 0 1 381.400 0.552 20 0 GCADMN O=C(N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cc(C2CC2)on1 ZINC001571176537 952833032 /nfs/dbraw/zinc/83/30/32/952833032.db2.gz TXAXREBSRQBCAW-HOMQSWHASA-N 0 1 381.400 0.565 20 0 GCADMN O=C(N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccc(=O)[nH]c1 ZINC001571176824 952834768 /nfs/dbraw/zinc/83/47/68/952834768.db2.gz YIPHIJQIIFWTNT-HAQNSBGRSA-N 0 1 381.400 0.332 20 0 GCADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccc(=O)[nH]c1 ZINC001571176808 952835129 /nfs/dbraw/zinc/83/51/29/952835129.db2.gz XZXTZXBISAHTOZ-UHFFFAOYSA-N 0 1 381.400 0.404 20 0 GCADMN O=C(c1conc1C1CC1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571178576 952842964 /nfs/dbraw/zinc/84/29/64/952842964.db2.gz NNFLNGVGVDDWQU-NSHDSACASA-N 0 1 381.400 0.661 20 0 GCADMN O=C(c1ocnc1C1CC1)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571178616 952844500 /nfs/dbraw/zinc/84/45/00/952844500.db2.gz OWIUMRXHXXYESP-LLVKDONJSA-N 0 1 381.400 0.661 20 0 GCADMN O=C(c1ccon1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571178670 952844976 /nfs/dbraw/zinc/84/49/76/952844976.db2.gz QRMVIMREEMIDSS-AAEUAGOBSA-N 0 1 381.400 0.776 20 0 GCADMN NC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571180161 952858016 /nfs/dbraw/zinc/85/80/16/952858016.db2.gz MGOKFMKLZUSUFX-LJIZCISZSA-N 0 1 381.440 0.210 20 0 GCADMN Cc1ccn(C)c1C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571179929 952858279 /nfs/dbraw/zinc/85/82/79/952858279.db2.gz KKWCJFZSQMOPTR-CVEARBPZSA-N 0 1 381.440 0.489 20 0 GCADMN Cc1ccc(C)c(CN2C[C@@H](O)[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)c1 ZINC001571181420 952864219 /nfs/dbraw/zinc/86/42/19/952864219.db2.gz WJUPXJBEAUPKHM-IAGOWNOFSA-N 0 1 381.440 0.787 20 0 GCADMN CC(C)Cc1c[nH]c(C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571181909 952866356 /nfs/dbraw/zinc/86/63/56/952866356.db2.gz ZRXGEGJKLCZPBH-BETUJISGSA-N 0 1 381.444 0.978 20 0 GCADMN CN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571183082 952873448 /nfs/dbraw/zinc/87/34/48/952873448.db2.gz NUIOKSXVHQKLHX-HIGHMKFHSA-N 0 1 381.440 0.508 20 0 GCADMN C[C@H]1CC[C@H](NC(=O)c2cnnn2C)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571183571 952879515 /nfs/dbraw/zinc/87/95/15/952879515.db2.gz DVHPBBBBCIOKQX-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN CCc1c(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)ccn1C ZINC001571183746 952882263 /nfs/dbraw/zinc/88/22/63/952882263.db2.gz IOFOYKMGUOMSKD-NWDGAFQWSA-N 0 1 381.444 0.695 20 0 GCADMN C[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)CN1C(=O)CCc1ccn(C)n1 ZINC001571183888 952884136 /nfs/dbraw/zinc/88/41/36/952884136.db2.gz MDIKEWUPTLDWFA-JSGCOSHPSA-N 0 1 381.444 0.451 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571183873 952884958 /nfs/dbraw/zinc/88/49/58/952884958.db2.gz LLRMMJRCWMIVQF-SWLSCSKDSA-N 0 1 381.444 0.901 20 0 GCADMN C[C@@H]1CC[C@H](NC(=O)c2ncn(C)n2)CN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571184106 952888251 /nfs/dbraw/zinc/88/82/51/952888251.db2.gz QQQOFCLHIWJQDH-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN CCc1c(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cnn1C ZINC001571184283 952890034 /nfs/dbraw/zinc/89/00/34/952890034.db2.gz VKQOHPDMZZWAFN-LBPRGKRZSA-N 0 1 381.444 0.696 20 0 GCADMN C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571184313 952890647 /nfs/dbraw/zinc/89/06/47/952890647.db2.gz WBLXEOCKDVFHEP-TZMCWYRMSA-N 0 1 381.444 0.309 20 0 GCADMN CCCc1n[nH]cc1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571184421 952894077 /nfs/dbraw/zinc/89/40/77/952894077.db2.gz YVBBXTYXAGYSGV-TXEJJXNPSA-N 0 1 381.444 0.980 20 0 GCADMN CCn1nccc1C(=O)N1CCC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571184835 952897482 /nfs/dbraw/zinc/89/74/82/952897482.db2.gz FABHRAXOBNXNQN-CYBMUJFWSA-N 0 1 381.444 0.864 20 0 GCADMN CCn1nc(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571184973 952898160 /nfs/dbraw/zinc/89/81/60/952898160.db2.gz GBGRSNRDTMUIHU-CQSZACIVSA-N 0 1 381.444 0.791 20 0 GCADMN CCn1nccc1C(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@@H]1C ZINC001571184988 952898547 /nfs/dbraw/zinc/89/85/47/952898547.db2.gz GJMKDODDUKLKNH-QWHCGFSZSA-N 0 1 381.444 0.924 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571185686 952903282 /nfs/dbraw/zinc/90/32/82/952903282.db2.gz OHZHBNILEMUHCQ-CHWSQXEVSA-N 0 1 381.444 0.627 20 0 GCADMN CCn1ccnc1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571186123 952905390 /nfs/dbraw/zinc/90/53/90/952905390.db2.gz SZIJEJNNEOOYLN-JOCQHMNTSA-N 0 1 381.444 0.829 20 0 GCADMN CCn1cc(C(=O)NCC2CC(Nc3ccncc3-c3nn[nH]n3)C2)c(C)n1 ZINC001571186292 952906997 /nfs/dbraw/zinc/90/69/97/952906997.db2.gz VPAQJXAQFDLQOO-UHFFFAOYSA-N 0 1 381.444 0.829 20 0 GCADMN Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187783 952910634 /nfs/dbraw/zinc/91/06/34/952910634.db2.gz BZSNTJLOZXXLGM-KBPBESRZSA-N 0 1 381.444 0.538 20 0 GCADMN Cc1cnn(CC(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c1 ZINC001571188185 952912302 /nfs/dbraw/zinc/91/23/02/952912302.db2.gz HMTOVUKLZTVJTK-AWEZNQCLSA-N 0 1 381.444 0.860 20 0 GCADMN Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2cc[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188375 952913578 /nfs/dbraw/zinc/91/35/78/952913578.db2.gz JVZAXNFFSAIFLU-SWLSCSKDSA-N 0 1 381.444 0.655 20 0 GCADMN Cc1cc(C(=O)N[C@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n(C)n1 ZINC001571188370 952913687 /nfs/dbraw/zinc/91/36/87/952913687.db2.gz JKGRKFNRFKMYOG-STQMWFEESA-N 0 1 381.444 0.879 20 0 GCADMN Cn1cc(CCC(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001571188540 952916389 /nfs/dbraw/zinc/91/63/89/952916389.db2.gz DCQMACQNVVJCHO-CQSZACIVSA-N 0 1 381.444 0.453 20 0 GCADMN Cc1c[nH]nc1C(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188662 952918584 /nfs/dbraw/zinc/91/85/84/952918584.db2.gz MMWCASNPTLCSMN-CYBMUJFWSA-N 0 1 381.444 0.988 20 0 GCADMN Cn1nncc1C(=O)NC[C@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571188783 952919863 /nfs/dbraw/zinc/91/98/63/952919863.db2.gz JEGNHVMWPQEQSX-OAHLLOKOSA-N 0 1 381.444 0.780 20 0 GCADMN Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H](C)n3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188849 952920511 /nfs/dbraw/zinc/92/05/11/952920511.db2.gz OCOVHJYDALOYGI-ZIAGYGMSSA-N 0 1 381.444 0.853 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)CCc3ccnn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188890 952921943 /nfs/dbraw/zinc/92/19/43/952921943.db2.gz PBCQKGMTWOTXJI-CYBMUJFWSA-N 0 1 381.444 0.371 20 0 GCADMN Cn1nccc1CN1CC[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001571189009 952923039 /nfs/dbraw/zinc/92/30/39/952923039.db2.gz LWMSCAAOPMPCFZ-SFHVURJKSA-N 0 1 381.444 0.667 20 0 GCADMN Cc1c(C(=O)N[C@@H]2C[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cnn1C ZINC001571189042 952923696 /nfs/dbraw/zinc/92/36/96/952923696.db2.gz QKRKIPAQWVBVGF-JOCQHMNTSA-N 0 1 381.444 0.654 20 0 GCADMN Cc1cc(N2CCC[C@H](NC(=O)Cc3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189287 952927627 /nfs/dbraw/zinc/92/76/27/952927627.db2.gz UMEFOHMGKOJFFV-AWEZNQCLSA-N 0 1 381.444 0.631 20 0 GCADMN Cc1cc(NC[C@@H]2CC[C@@H](NC(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189286 952927790 /nfs/dbraw/zinc/92/77/90/952927790.db2.gz UMEARXBZOQPHOV-ZIAGYGMSSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1cc(N[C@@H]2CN(C(=O)Cc3ncc[nH]3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189494 952928955 /nfs/dbraw/zinc/92/89/55/952928955.db2.gz WAIFHOCXIPEOGI-CQSZACIVSA-N 0 1 381.444 0.607 20 0 GCADMN Cc1cc(N2CCC[C@@H](CNC(=O)c3cnn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189381 952929258 /nfs/dbraw/zinc/92/92/58/952929258.db2.gz VVPOWVZOFCKHHQ-ZDUSSCGKSA-N 0 1 381.444 0.950 20 0 GCADMN Cn1cnc(C(=O)N[C@H]2CN(Cc3ccccc3-c3nn[nH]n3)CC2(C)C)n1 ZINC001571189413 952929555 /nfs/dbraw/zinc/92/95/55/952929555.db2.gz RFEXPPUZPYHHBR-AWEZNQCLSA-N 0 1 381.444 0.636 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@H]2C)c1 ZINC001571189593 952932381 /nfs/dbraw/zinc/93/23/81/952932381.db2.gz XYCBQSALQYUZBJ-UKRRQHHQSA-N 0 1 381.444 0.598 20 0 GCADMN O=C(Nc1nc(Cl)c(-c2nn[nH]n2)s1)N[C@H]1CCc2nnnn2CC1 ZINC001571191696 952946584 /nfs/dbraw/zinc/94/65/84/952946584.db2.gz QTAGAAXNYUMBDX-YFKPBYRVSA-N 0 1 381.813 0.490 20 0 GCADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)NCc1ccnc(C(F)(F)F)c1 ZINC001571193999 952955701 /nfs/dbraw/zinc/95/57/01/952955701.db2.gz DKNLXAOCRVYMGJ-UHFFFAOYSA-N 0 1 382.310 0.371 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](CO)c1ccccc1C(F)(F)F ZINC001571194886 952969492 /nfs/dbraw/zinc/96/94/92/952969492.db2.gz UZDUWQKFKFFZLW-SNVBAGLBSA-N 0 1 382.306 0.327 20 0 GCADMN COc1ccc(CN2CC(CNC(=O)c3cnc(C)[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571198524 952991675 /nfs/dbraw/zinc/99/16/75/952991675.db2.gz BAXDJGMCIUNHRF-UHFFFAOYSA-N 0 1 382.428 0.769 20 0 GCADMN C[C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001571198550 952991707 /nfs/dbraw/zinc/99/17/07/952991707.db2.gz BZJCVDOBQUWEHW-CHWSQXEVSA-N 0 1 382.428 0.811 20 0 GCADMN COc1cc(CN(C)[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)ccn1 ZINC001571199206 952998256 /nfs/dbraw/zinc/99/82/56/952998256.db2.gz NHUZBTMLYVOOIQ-AWEZNQCLSA-N 0 1 382.428 0.945 20 0 GCADMN CC[C@@H]1CN(C(=O)Cc2ccco2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571199919 953005501 /nfs/dbraw/zinc/00/55/01/953005501.db2.gz CRMQOGNLFBNNDP-TZMCWYRMSA-N 0 1 382.428 0.953 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2O)c(C)[nH]1 ZINC001571201366 953017653 /nfs/dbraw/zinc/01/76/53/953017653.db2.gz LBFPNGWUWVAXLN-GDBMZVCRSA-N 0 1 382.428 0.495 20 0 GCADMN Cc1cc(N[C@@]2(CO)CCCN(C(=O)c3cc[nH]c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202283 953024662 /nfs/dbraw/zinc/02/46/62/953024662.db2.gz SKPITTAFXFHQND-SFHVURJKSA-N 0 1 382.428 0.399 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001571204595 953030134 /nfs/dbraw/zinc/03/01/34/953030134.db2.gz BKZWZHZKXWZTBE-OLZOCXBDSA-N 0 1 382.432 0.187 20 0 GCADMN CCc1nc(NCC2CCN(C(=O)c3ccn[nH]3)CC2)cc(-c2nn[nH]n2)n1 ZINC001571204561 953030163 /nfs/dbraw/zinc/03/01/63/953030163.db2.gz BDTCPIDMLDIUEQ-UHFFFAOYSA-N 0 1 382.432 0.907 20 0 GCADMN C[C@@H]1CN(C(=O)c2cnn(C)c2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571204545 953030347 /nfs/dbraw/zinc/03/03/47/953030347.db2.gz ASPUCLWWAAFWDD-NEPJUHHUSA-N 0 1 382.432 0.022 20 0 GCADMN CCc1cc(C(=O)N2CCC[C@H]2CNc2nc(C)cc(-c3nn[nH]n3)n2)n[nH]1 ZINC001571204900 953033848 /nfs/dbraw/zinc/03/38/48/953033848.db2.gz FLCNYBMZEHNQLX-LBPRGKRZSA-N 0 1 382.432 0.967 20 0 GCADMN C[C@@H](NC(=O)c1ncn(C)n1)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571205191 953036268 /nfs/dbraw/zinc/03/62/68/953036268.db2.gz HCXMBIYJZZVETK-VXGBXAGGSA-N 0 1 382.432 0.425 20 0 GCADMN CCc1n[nH]cc1C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571205485 953039214 /nfs/dbraw/zinc/03/92/14/953039214.db2.gz JYDJWDUXGJYWNO-GHMZBOCLSA-N 0 1 382.432 0.184 20 0 GCADMN CCn1nncc1C(=O)NC[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571205752 953041476 /nfs/dbraw/zinc/04/14/76/953041476.db2.gz ALKQRSWNHJUHCI-TXEJJXNPSA-N 0 1 382.432 0.224 20 0 GCADMN CCn1nc(C)cc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571205856 953043495 /nfs/dbraw/zinc/04/34/95/953043495.db2.gz CDIULNVWGRNBHT-UHFFFAOYSA-N 0 1 382.432 0.580 20 0 GCADMN CCN(C(=O)c1[nH]c(C)nc1C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206001 953046352 /nfs/dbraw/zinc/04/63/52/953046352.db2.gz QQCNAWKHRBYMNG-GFCCVEGCSA-N 0 1 382.432 0.738 20 0 GCADMN CCn1nc(C)cc1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206100 953047293 /nfs/dbraw/zinc/04/72/93/953047293.db2.gz DDFZMHXRHNGJEJ-GFCCVEGCSA-N 0 1 382.432 0.178 20 0 GCADMN C[C@@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1cncn1 ZINC001571206258 953049551 /nfs/dbraw/zinc/04/95/51/953049551.db2.gz NSQJIINMLILOTN-STQMWFEESA-N 0 1 382.432 0.329 20 0 GCADMN CCn1ncc(C(=O)NC[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571206326 953050184 /nfs/dbraw/zinc/05/01/84/953050184.db2.gz FOYOAFWZKBTMCX-LBPRGKRZSA-N 0 1 382.432 0.520 20 0 GCADMN CN(C(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CCN(Cc2n[nH]c(C3CC3)n2)C1 ZINC001571206411 953050874 /nfs/dbraw/zinc/05/08/74/953050874.db2.gz GPQPARDUPRWMQU-LLVKDONJSA-N 0 1 382.432 0.537 20 0 GCADMN CCn1nncc1C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571206637 953053637 /nfs/dbraw/zinc/05/36/37/953053637.db2.gz ITZHXGNJFCPUSQ-LBPRGKRZSA-N 0 1 382.432 0.402 20 0 GCADMN CCn1nccc1C(=O)N[C@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207418 953062901 /nfs/dbraw/zinc/06/29/01/953062901.db2.gz RGBZEFYXLQLWHD-NEPJUHHUSA-N 0 1 382.432 0.448 20 0 GCADMN CC(C)n1ccc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001571207362 953062970 /nfs/dbraw/zinc/06/29/70/953062970.db2.gz YNPDUKIJNBFITF-LBPRGKRZSA-N 0 1 382.432 0.573 20 0 GCADMN CCn1ncc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1C ZINC001571207565 953064522 /nfs/dbraw/zinc/06/45/22/953064522.db2.gz WWFBVADGZFWDDL-ZWNOBZJWSA-N 0 1 382.432 0.436 20 0 GCADMN Cn1nncc1CN1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@@H]21 ZINC001571210146 953070150 /nfs/dbraw/zinc/07/01/50/953070150.db2.gz MIKAPWWERXXUAJ-NHYWBVRUSA-N 0 1 382.432 0.060 20 0 GCADMN O=C(c1cc(-c2nn[nH]n2)c[nH]1)N1CCCN(C[C@H]2CCc3ncnn32)CC1 ZINC001571210590 953072827 /nfs/dbraw/zinc/07/28/27/953072827.db2.gz TVHZTXMOFUQMHC-CYBMUJFWSA-N 0 1 382.432 0.122 20 0 GCADMN Cc1cc(N(C)C[C@@H]2CCCN2C(=O)Cn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211440 953076115 /nfs/dbraw/zinc/07/61/15/953076115.db2.gz ASBWBOCBFQZIMP-ZDUSSCGKSA-N 0 1 382.432 0.289 20 0 GCADMN Cc1nc(C(=O)N2CCCC[C@@H]2CCNc2ccnc(-c3nn[nH]n3)n2)c[nH]1 ZINC001571211431 953076372 /nfs/dbraw/zinc/07/63/72/953076372.db2.gz AMUCOEOZJKHIPC-GFCCVEGCSA-N 0 1 382.432 0.607 20 0 GCADMN Cn1nc(C2CC2)nc1CN[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001571211478 953077107 /nfs/dbraw/zinc/07/71/07/953077107.db2.gz BMMZRTSNKZTMHB-HAQNSBGRSA-N 0 1 382.432 0.251 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3nc(C)cc(-c4nn[nH]n4)n3)C2)n[nH]1 ZINC001571211488 953077744 /nfs/dbraw/zinc/07/77/44/953077744.db2.gz BRRZMTDLEAPWDG-SKDRFNHKSA-N 0 1 382.432 0.817 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)C1 ZINC001571211790 953081198 /nfs/dbraw/zinc/08/11/98/953081198.db2.gz GRYZDBQBLORYLU-JKIFEVAISA-N 0 1 382.472 0.641 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3CN(c4ccc(-c5nn[n-]n5)nc4)C[C@H]32)C1 ZINC001571211790 953081201 /nfs/dbraw/zinc/08/12/01/953081201.db2.gz GRYZDBQBLORYLU-JKIFEVAISA-N 0 1 382.472 0.641 20 0 GCADMN Cc1cc(NC[C@@]2(C)CCN(C(=O)c3cn(C)nn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211941 953082925 /nfs/dbraw/zinc/08/29/25/953082925.db2.gz IVJVLGXSTHKFKY-QGZVFWFLSA-N 0 1 382.432 0.085 20 0 GCADMN Cc1ncn(C)c1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571212117 953083701 /nfs/dbraw/zinc/08/37/01/953083701.db2.gz JCVGGEACEYRLIU-RYUDHWBXSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1cc(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[nH]n4)n3)CC2)n(C)n1 ZINC001571212130 953084715 /nfs/dbraw/zinc/08/47/15/953084715.db2.gz JLDBZEZNACGBSU-UHFFFAOYSA-N 0 1 382.432 0.227 20 0 GCADMN Cc1c(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nnn1C ZINC001571212355 953087026 /nfs/dbraw/zinc/08/70/26/953087026.db2.gz MGGQGOKBEPYOSG-YMTOWFKASA-N 0 1 382.432 0.002 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)c3cnnn3C)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212322 953087133 /nfs/dbraw/zinc/08/71/33/953087133.db2.gz LNJZQOYDUCVUQQ-RYUDHWBXSA-N 0 1 382.432 0.486 20 0 GCADMN CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nn[nH]n1)C2 ZINC001571213689 953097355 /nfs/dbraw/zinc/09/73/55/953097355.db2.gz UJWKPDBUXSDYPA-OHNRDTAOSA-N 0 1 382.472 0.831 20 0 GCADMN Cn1cnnc1CN[C@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 ZINC001571214111 953099340 /nfs/dbraw/zinc/09/93/40/953099340.db2.gz YHFKSZRGUIBQCI-QWHCGFSZSA-N 0 1 382.432 0.154 20 0 GCADMN Cc1n[nH]c(C)c1CC(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571214200 953101022 /nfs/dbraw/zinc/10/10/22/953101022.db2.gz ZDURRNAZCXUHSM-LBPRGKRZSA-N 0 1 382.432 0.276 20 0 GCADMN O=C(N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)C12CCC[NH+]1CCC2 ZINC001571217268 953106233 /nfs/dbraw/zinc/10/62/33/953106233.db2.gz DHGJYLIAAFLPGC-AWEZNQCLSA-N 0 1 382.472 0.975 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001571217338 953106973 /nfs/dbraw/zinc/10/69/73/953106973.db2.gz IHLKKZOZTXRUBQ-WDEREUQCSA-N 0 1 383.391 0.575 20 0 GCADMN CC1(NC(=O)c2ccc(F)cn2)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571217565 953109275 /nfs/dbraw/zinc/10/92/75/953109275.db2.gz NPWAKPPUSQBDJV-UHFFFAOYSA-N 0 1 383.391 0.980 20 0 GCADMN C[C@H](C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001571217641 953110190 /nfs/dbraw/zinc/11/01/90/953110190.db2.gz GQPSZRUKIOYSPL-JDNHERCYSA-N 0 1 383.372 0.613 20 0 GCADMN CC(C)(C)c1nc(CNS(=O)(=O)Cc2csc(-c3nn[nH]n3)c2)n[nH]1 ZINC001571218079 953113234 /nfs/dbraw/zinc/11/32/34/953113234.db2.gz LGSDLERZNQJXGZ-UHFFFAOYSA-N 0 1 382.475 0.963 20 0 GCADMN O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(F)cn1 ZINC001571218513 953116021 /nfs/dbraw/zinc/11/60/21/953116021.db2.gz ACMRHERKZZZZCQ-NSHDSACASA-N 0 1 383.391 0.837 20 0 GCADMN CN(c1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001571218578 953116822 /nfs/dbraw/zinc/11/68/22/953116822.db2.gz BUAODBSJISYZCM-UHFFFAOYSA-N 0 1 383.391 0.932 20 0 GCADMN O=C(c1cn[nH]n1)N1CC2(C1)CCN(Cc1ccc(-c3nn[nH]n3)cc1F)C2 ZINC001571219950 953128635 /nfs/dbraw/zinc/12/86/35/953128635.db2.gz UQBFXYMGXPYGKD-UHFFFAOYSA-N 0 1 383.391 0.472 20 0 GCADMN CCc1cc(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)CC2)no1 ZINC001571222030 953130496 /nfs/dbraw/zinc/13/04/96/953130496.db2.gz AFEIHGGEVGTQKR-XYPYZODXSA-N 0 1 383.416 0.782 20 0 GCADMN CC[C@@H]1CN(C(=O)c2ncoc2C)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571222172 953131302 /nfs/dbraw/zinc/13/13/02/953131302.db2.gz DNKSHWFIJQJEAK-VXGBXAGGSA-N 0 1 383.416 0.728 20 0 GCADMN CCOc1cc(C(=O)NC[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)[nH]n1 ZINC001571222214 953132362 /nfs/dbraw/zinc/13/23/62/953132362.db2.gz FRWFTUBXCQVJHT-PHIMTYICSA-N 0 1 383.416 0.426 20 0 GCADMN O=C(Cc1ccoc1)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571222199 953132451 /nfs/dbraw/zinc/13/24/51/953132451.db2.gz FDJALVUJBRYUKP-AWEZNQCLSA-N 0 1 383.412 0.549 20 0 GCADMN COc1cncc(CN[C@@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001571222432 953134665 /nfs/dbraw/zinc/13/46/65/953134665.db2.gz FLOSXXIWMMETOR-LLVKDONJSA-N 0 1 383.416 0.388 20 0 GCADMN Cc1occc1C(=O)N1CCO[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571222607 953136701 /nfs/dbraw/zinc/13/67/01/953136701.db2.gz JXDCQZQGGCLBBX-CYBMUJFWSA-N 0 1 383.412 0.847 20 0 GCADMN CCc1ocnc1C(=O)N1CC[C@@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222767 953138408 /nfs/dbraw/zinc/13/84/08/953138408.db2.gz LSEHBZPMXLPCMW-GHMZBOCLSA-N 0 1 383.416 0.592 20 0 GCADMN CCc1ocnc1C(=O)N1CC[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222769 953138964 /nfs/dbraw/zinc/13/89/64/953138964.db2.gz LSEHBZPMXLPCMW-MNOVXSKESA-N 0 1 383.416 0.592 20 0 GCADMN CCc1nc(C(=O)N2C[C@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571222901 953139912 /nfs/dbraw/zinc/13/99/12/953139912.db2.gz NBKZTCZQNMALEM-QWRGUYRKSA-N 0 1 383.416 0.449 20 0 GCADMN CCc1ocnc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001571222870 953140043 /nfs/dbraw/zinc/14/00/43/953140043.db2.gz NDOMSHUUWPBYBT-NSHDSACASA-N 0 1 383.416 0.592 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571223418 953144476 /nfs/dbraw/zinc/14/44/76/953144476.db2.gz QZDWQJZUPRRROL-WCQYABFASA-N 0 1 383.416 0.348 20 0 GCADMN CCCc1cc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)no1 ZINC001571223704 953146489 /nfs/dbraw/zinc/14/64/89/953146489.db2.gz SVLPHTGZGFUINO-UHFFFAOYSA-N 0 1 383.416 0.736 20 0 GCADMN CCc1nc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571223775 953147227 /nfs/dbraw/zinc/14/72/27/953147227.db2.gz VGTCEUKLRYMQIC-GHMZBOCLSA-N 0 1 383.416 0.782 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571223907 953147597 /nfs/dbraw/zinc/14/75/97/953147597.db2.gz ZSFVQHCNZNNHOO-ONGXEEELSA-N 0 1 383.416 0.383 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571223904 953147677 /nfs/dbraw/zinc/14/76/77/953147677.db2.gz ZSFVQHCNZNNHOO-GXSJLCMTSA-N 0 1 383.416 0.383 20 0 GCADMN Cc1ccc(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)o1 ZINC001571224095 953148574 /nfs/dbraw/zinc/14/85/74/953148574.db2.gz YAXGALOVDJLMEF-UHFFFAOYSA-N 0 1 383.412 0.664 20 0 GCADMN Cc1cc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@H]2O)no1 ZINC001571224133 953149377 /nfs/dbraw/zinc/14/93/77/953149377.db2.gz YXKXGMYOIWWWHM-GOEBONIOSA-N 0 1 383.412 0.528 20 0 GCADMN Cc1ncoc1C(=O)N1CCC([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571224928 953151261 /nfs/dbraw/zinc/15/12/61/953151261.db2.gz GYGPFCQARHBEHE-SNVBAGLBSA-N 0 1 383.416 0.728 20 0 GCADMN Cc1cc(CC(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001571225915 953154568 /nfs/dbraw/zinc/15/45/68/953154568.db2.gz OEYOBCRTRYRNBK-LBPRGKRZSA-N 0 1 383.416 0.268 20 0 GCADMN Cc1nonc1C(=O)NC1CCC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571226919 953157340 /nfs/dbraw/zinc/15/73/40/953157340.db2.gz WYGGLGSQDNHUFA-UHFFFAOYSA-N 0 1 383.416 0.837 20 0 GCADMN Cc1ncc(CC(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571226980 953157811 /nfs/dbraw/zinc/15/78/11/953157811.db2.gz YGJFXTBPOWYYJQ-NWDGAFQWSA-N 0 1 383.416 0.457 20 0 GCADMN Cc1ncc(C(=O)N2CCCC[C@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)[nH]1 ZINC001571227113 953158306 /nfs/dbraw/zinc/15/83/06/953158306.db2.gz YZEKBORXJPPVAY-LBPRGKRZSA-N 0 1 383.416 0.651 20 0 GCADMN CCn1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1 ZINC001571227702 953159058 /nfs/dbraw/zinc/15/90/58/953159058.db2.gz AILXXWNRYKYPNG-GHMZBOCLSA-N 0 1 383.420 0.055 20 0 GCADMN O=C(NC[C@@H]1CCCCCN1C(=O)c1ccn[nH]1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571227977 953161063 /nfs/dbraw/zinc/16/10/63/953161063.db2.gz FMOAOFYHSKSQHK-NSHDSACASA-N 0 1 383.416 0.733 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571228640 953165750 /nfs/dbraw/zinc/16/57/50/953165750.db2.gz ULBPETWOLCCQHN-PWSUYJOCSA-N 0 1 383.416 0.409 20 0 GCADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H](CNCc2nc(C3CC3)no2)C1 ZINC001571228857 953166828 /nfs/dbraw/zinc/16/68/28/953166828.db2.gz WVHLTGQVKXVNKL-SNVBAGLBSA-N 0 1 383.416 0.707 20 0 GCADMN O=C(N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1cnns1 ZINC001571230237 953175081 /nfs/dbraw/zinc/17/50/81/953175081.db2.gz AYKPPKVEDQTIHM-QWHCGFSZSA-N 0 1 383.441 0.688 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC001571230277 953175372 /nfs/dbraw/zinc/17/53/72/953175372.db2.gz BZOIOYDWCSHSHR-ZYIUAKIQSA-N 0 1 383.456 0.615 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)c1cnns1 ZINC001571230236 953175543 /nfs/dbraw/zinc/17/55/43/953175543.db2.gz AYKPPKVEDQTIHM-OLZOCXBDSA-N 0 1 383.441 0.688 20 0 GCADMN CCN1C[C@H](C(=O)NCC2CN(Cc3ccccc3-c3nn[nH]n3)C2)CC1=O ZINC001571230546 953178289 /nfs/dbraw/zinc/17/82/89/953178289.db2.gz GBARKPPLSILASB-OAHLLOKOSA-N 0 1 383.456 0.283 20 0 GCADMN CN1C(=O)CCC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571230743 953179408 /nfs/dbraw/zinc/17/94/08/953179408.db2.gz IXYPRROOBNWBTF-JKSUJKDBSA-N 0 1 383.456 0.568 20 0 GCADMN CN(C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001571231165 953183212 /nfs/dbraw/zinc/18/32/12/953183212.db2.gz URFDYTAPQNUGTI-HOTGVXAUSA-N 0 1 383.456 0.378 20 0 GCADMN COCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571231142 953183380 /nfs/dbraw/zinc/18/33/80/953183380.db2.gz UBBDMPHHEGHRCI-XZDPQHSOSA-N 0 1 383.456 0.890 20 0 GCADMN O=C(NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@]12CCC[C@H]1OCC2 ZINC001571232436 953187042 /nfs/dbraw/zinc/18/70/42/953187042.db2.gz FWKWXZGAWDTWOD-FKPWOLHESA-N 0 1 383.456 0.950 20 0 GCADMN C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571232661 953188242 /nfs/dbraw/zinc/18/82/42/953188242.db2.gz IRNWRKXZSDUZBB-DVKYCARXSA-N 0 1 383.456 0.758 20 0 GCADMN C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CN1c1ccnc(-c2nn[n-]n2)n1 ZINC001571232892 953189337 /nfs/dbraw/zinc/18/93/37/953189337.db2.gz LTIOJYXXNYTYOD-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN O=C(N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCCC(=O)N1 ZINC001571233119 953190430 /nfs/dbraw/zinc/19/04/30/953190430.db2.gz OZXFSEWMCSYYTM-JKSUJKDBSA-N 0 1 383.456 0.616 20 0 GCADMN O=C([C@@H]1CCO[C@H]1C1CC1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571233126 953190949 /nfs/dbraw/zinc/19/09/49/953190949.db2.gz PGPXBGDVTSWNIZ-CPUCHLNUSA-N 0 1 383.456 0.902 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CC[C@@H](C)C2)n1 ZINC001571233730 953195447 /nfs/dbraw/zinc/19/54/47/953195447.db2.gz BUZRPYOHHNGPBG-XBFCOCLRSA-N 0 1 383.460 0.096 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001571233730 953195454 /nfs/dbraw/zinc/19/54/54/953195454.db2.gz BUZRPYOHHNGPBG-XBFCOCLRSA-N 0 1 383.460 0.096 20 0 GCADMN O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571233791 953195732 /nfs/dbraw/zinc/19/57/32/953195732.db2.gz DDQHXFSXWISZOP-CQSZACIVSA-N 0 1 383.460 0.084 20 0 GCADMN O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001571233791 953195734 /nfs/dbraw/zinc/19/57/34/953195734.db2.gz DDQHXFSXWISZOP-CQSZACIVSA-N 0 1 383.460 0.084 20 0 GCADMN O=C(NC[C@@H]1CCCN1c1cncc(-c2nnn[n-]2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC001571233955 953197361 /nfs/dbraw/zinc/19/73/61/953197361.db2.gz JCMQDVLZJXJENO-KBPBESRZSA-N 0 1 383.460 0.084 20 0 GCADMN O=C(NC[C@@H]1CCCN1c1cncc(-c2nn[n-]n2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC001571233955 953197365 /nfs/dbraw/zinc/19/73/65/953197365.db2.gz JCMQDVLZJXJENO-KBPBESRZSA-N 0 1 383.460 0.084 20 0 GCADMN O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nnn[n-]2)nn1)C12CC[NH+](CC1)C2 ZINC001571234064 953198257 /nfs/dbraw/zinc/19/82/57/953198257.db2.gz MEBCXZARVYEKFK-QWHCGFSZSA-N 0 1 383.460 0.449 20 0 GCADMN O=C(N[C@@H]1CCC[C@H]1CNc1ccc(-c2nn[n-]n2)nn1)C12CC[NH+](CC1)C2 ZINC001571234064 953198260 /nfs/dbraw/zinc/19/82/60/953198260.db2.gz MEBCXZARVYEKFK-QWHCGFSZSA-N 0 1 383.460 0.449 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nnn[n-]4)n3)C[C@H]2C1 ZINC001571234228 953199596 /nfs/dbraw/zinc/19/95/96/953199596.db2.gz QGPXJJWNJPQLPD-HZSPNIEDSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571234228 953199600 /nfs/dbraw/zinc/19/96/00/953199600.db2.gz QGPXJJWNJPQLPD-HZSPNIEDSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccnc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571234228 953199602 /nfs/dbraw/zinc/19/96/02/953199602.db2.gz QGPXJJWNJPQLPD-HZSPNIEDSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571234257 953200760 /nfs/dbraw/zinc/20/07/60/953200760.db2.gz RBICNNUUXCMPPC-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571234257 953200761 /nfs/dbraw/zinc/20/07/61/953200761.db2.gz RBICNNUUXCMPPC-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571234257 953200762 /nfs/dbraw/zinc/20/07/62/953200762.db2.gz RBICNNUUXCMPPC-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571234257 953200763 /nfs/dbraw/zinc/20/07/63/953200763.db2.gz RBICNNUUXCMPPC-MCIONIFRSA-N 0 1 383.460 0.178 20 0 GCADMN O=C(NC[C@H]1CCCCN1c1ccc(-c2nnn[n-]2)nn1)C12CC[NH+](CC1)C2 ZINC001571234339 953201397 /nfs/dbraw/zinc/20/13/97/953201397.db2.gz UPOPCJBVDUSLRW-CYBMUJFWSA-N 0 1 383.460 0.228 20 0 GCADMN O=C(NC[C@H]1CCCCN1c1ccc(-c2nn[n-]n2)nn1)C12CC[NH+](CC1)C2 ZINC001571234339 953201400 /nfs/dbraw/zinc/20/14/00/953201400.db2.gz UPOPCJBVDUSLRW-CYBMUJFWSA-N 0 1 383.460 0.228 20 0 GCADMN O=C(COc1ccccc1F)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571235357 953211365 /nfs/dbraw/zinc/21/13/65/953211365.db2.gz BEDFDBVSIAUPHU-UHFFFAOYSA-N 0 1 384.375 0.523 20 0 GCADMN CCOc1nc(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)co1 ZINC001571236363 953217563 /nfs/dbraw/zinc/21/75/63/953217563.db2.gz XNESTCPLHKMDLI-NSHDSACASA-N 0 1 384.400 0.787 20 0 GCADMN Cc1ccc(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)o1 ZINC001571236689 953218648 /nfs/dbraw/zinc/21/86/48/953218648.db2.gz BIUPMMNPXSDULK-GFCCVEGCSA-N 0 1 384.400 0.583 20 0 GCADMN Cc1ccoc1C(=O)N1CCO[C@H]([C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571237134 953219897 /nfs/dbraw/zinc/21/98/97/953219897.db2.gz FOONJKHYJNMLRV-NEPJUHHUSA-N 0 1 384.400 0.322 20 0 GCADMN COc1cc(C(=O)N2CC[C@H](N(C)c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)on1 ZINC001571237645 953222012 /nfs/dbraw/zinc/22/20/12/953222012.db2.gz KHEPGMWGQRDSQW-NSHDSACASA-N 0 1 384.400 0.918 20 0 GCADMN Cc1nc(C)c(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@@H]2O)o1 ZINC001571238223 953226046 /nfs/dbraw/zinc/22/60/46/953226046.db2.gz XARVXJDKHBRBEM-OCCSQVGLSA-N 0 1 384.400 0.154 20 0 GCADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCO[C@H](c2ccncc2)C1 ZINC001571238640 953231481 /nfs/dbraw/zinc/23/14/81/953231481.db2.gz IXYZZWDOIKMMSZ-OLZOCXBDSA-N 0 1 384.404 0.073 20 0 GCADMN Cc1nonc1CC(=O)N1CCC[C@H]1CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001571239076 953235308 /nfs/dbraw/zinc/23/53/08/953235308.db2.gz PYDNUGNBAKJGQH-NSHDSACASA-N 0 1 384.404 0.018 20 0 GCADMN C[N@H+]1C[C@@H]2CC[C@H]([N-]S(=O)(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)[C@@H]2C1 ZINC001571239032 953235703 /nfs/dbraw/zinc/23/57/03/953235703.db2.gz FICAQLBGVMBSHV-PLMOITTCSA-N 0 1 384.412 0.763 20 0 GCADMN NC(=O)c1csc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571241651 953248152 /nfs/dbraw/zinc/24/81/52/953248152.db2.gz HJEBGAAXNMVUTF-JTQLQIEISA-N 0 1 384.425 0.171 20 0 GCADMN CN1C[C@H](C(=O)NC2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CC1=O ZINC001571242115 953253352 /nfs/dbraw/zinc/25/33/52/953253352.db2.gz BJTSAAUOAZQYMV-PNESKVBLSA-N 0 1 384.444 0.001 20 0 GCADMN CC1(C)CN(C(=O)C[C@@H]2CCC(=O)N2)C[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571243028 953262375 /nfs/dbraw/zinc/26/23/75/953262375.db2.gz UGVMQPSAUABOEK-SMDDNHRTSA-N 0 1 384.444 0.001 20 0 GCADMN 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SPZZWWBZCKQYSW-CQSZACIVSA-N 0 1 383.416 0.695 20 0 GCADMN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)[O-] ZINC000821141180 598162040 /nfs/dbraw/zinc/16/20/40/598162040.db2.gz ZMRGKGPBJHCBKV-OAHLLOKOSA-N 0 1 385.424 0.778 20 0 GCADMN CCCC(=O)N[C@H]1CCCN(C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736412447 598257607 /nfs/dbraw/zinc/25/76/07/598257607.db2.gz PESUEVXJSCEYLA-HOTGVXAUSA-N 0 1 388.472 0.987 20 0 GCADMN O=C(CCN1CCN(c2cccnn2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737844336 598258503 /nfs/dbraw/zinc/25/85/03/598258503.db2.gz SMFSDLBTONONHD-UHFFFAOYSA-N 0 1 379.428 0.808 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)cc1-c1nn[nH]n1 ZINC000737186906 598262304 /nfs/dbraw/zinc/26/23/04/598262304.db2.gz LNVNYRYDKQZWCK-UWVGGRQHSA-N 0 1 393.473 0.528 20 0 GCADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736229029 598265079 /nfs/dbraw/zinc/26/50/79/598265079.db2.gz PTFOFDXZZQJFTK-BETUJISGSA-N 0 1 379.490 0.908 20 0 GCADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000736229029 598265081 /nfs/dbraw/zinc/26/50/81/598265081.db2.gz PTFOFDXZZQJFTK-BETUJISGSA-N 0 1 379.490 0.908 20 0 GCADMN C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736229029 598265083 /nfs/dbraw/zinc/26/50/83/598265083.db2.gz PTFOFDXZZQJFTK-BETUJISGSA-N 0 1 379.490 0.908 20 0 GCADMN C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736229029 598265084 /nfs/dbraw/zinc/26/50/84/598265084.db2.gz PTFOFDXZZQJFTK-BETUJISGSA-N 0 1 379.490 0.908 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCCN2CCOC(C)(C)C2)cc1-c1nn[nH]n1 ZINC000737187770 598286999 /nfs/dbraw/zinc/28/69/99/598286999.db2.gz UPPXMQJQMNXJFS-UHFFFAOYSA-N 0 1 393.473 0.530 20 0 GCADMN COC(=O)CSCCNC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000736930561 598322140 /nfs/dbraw/zinc/32/21/40/598322140.db2.gz IQPIHDKGVIUKKA-UHFFFAOYSA-N 0 1 384.443 0.325 20 0 GCADMN CC[C@@H]1CN([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1C[C@H](C)O ZINC000736411607 598342738 /nfs/dbraw/zinc/34/27/38/598342738.db2.gz QVUWQICAZLOEOZ-JJRVBVJISA-N 0 1 387.488 0.971 20 0 GCADMN Cc1oc(NC(=O)[C@H](C)N2CCC([N@H+](C)CCO)CC2)c(-c2nn[n-]n2)c1C ZINC000737546184 598350176 /nfs/dbraw/zinc/35/01/76/598350176.db2.gz ABXVRODYWSNOLD-LBPRGKRZSA-N 0 1 391.476 0.792 20 0 GCADMN Cc1oc(NC(=O)[C@H](C)N2CCC([N@@H+](C)CCO)CC2)c(-c2nn[n-]n2)c1C ZINC000737546184 598350178 /nfs/dbraw/zinc/35/01/78/598350178.db2.gz ABXVRODYWSNOLD-LBPRGKRZSA-N 0 1 391.476 0.792 20 0 GCADMN C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736287573 598352400 /nfs/dbraw/zinc/35/24/00/598352400.db2.gz PWRZYLNCYRCAJQ-YOEHRIQHSA-N 0 1 389.479 0.843 20 0 GCADMN CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1cnc3c(-c4nnn[n-]4)cnn3c1)CC2 ZINC000735942007 598356618 /nfs/dbraw/zinc/35/66/18/598356618.db2.gz AHSJITYPEARYAP-GFCCVEGCSA-N 0 1 379.432 0.729 20 0 GCADMN CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1cnc3c(-c4nn[n-]n4)cnn3c1)CC2 ZINC000735942007 598356620 /nfs/dbraw/zinc/35/66/20/598356620.db2.gz AHSJITYPEARYAP-GFCCVEGCSA-N 0 1 379.432 0.729 20 0 GCADMN C[C@@H](O)CN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000736148047 598364149 /nfs/dbraw/zinc/36/41/49/598364149.db2.gz PABPKOCBKBECKJ-NWDGAFQWSA-N 0 1 393.879 0.846 20 0 GCADMN C[C@@H](O)CN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@H]1C ZINC000736148049 598364488 /nfs/dbraw/zinc/36/44/88/598364488.db2.gz PABPKOCBKBECKJ-VXGBXAGGSA-N 0 1 393.879 0.846 20 0 GCADMN C[C@H](O)CN1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@H]1C ZINC000736150135 598364702 /nfs/dbraw/zinc/36/47/02/598364702.db2.gz WNEDFPQBPSIYRT-NEPJUHHUSA-N 0 1 393.879 0.846 20 0 GCADMN C[C@@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736143506 598375709 /nfs/dbraw/zinc/37/57/09/598375709.db2.gz KAQRGBIZWIGWQK-LLVKDONJSA-N 0 1 398.464 0.472 20 0 GCADMN C[C@@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736143506 598375711 /nfs/dbraw/zinc/37/57/11/598375711.db2.gz KAQRGBIZWIGWQK-LLVKDONJSA-N 0 1 398.464 0.472 20 0 GCADMN CN(C)[C@H]1CCCN(C(=O)CS(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736755988 598375989 /nfs/dbraw/zinc/37/59/89/598375989.db2.gz FEZRVMSHSBZIHM-HNNXBMFYSA-N 0 1 392.485 0.334 20 0 GCADMN CC[C@H](O)C[NH+]1CCN(C(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)CC1 ZINC000736382651 598376790 /nfs/dbraw/zinc/37/67/90/598376790.db2.gz NCOOAQRNDTVDCN-JTQLQIEISA-N 0 1 393.473 0.218 20 0 GCADMN C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735999902 598405792 /nfs/dbraw/zinc/40/57/92/598405792.db2.gz CUHQRRNBCXLQHG-NSHDSACASA-N 0 1 399.908 0.434 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000735999900 598406089 /nfs/dbraw/zinc/40/60/89/598406089.db2.gz CUHQRRNBCXLQHG-LLVKDONJSA-N 0 1 399.908 0.434 20 0 GCADMN C[C@H](CNC(=O)CSCc1ccc(-c2nn[nH]n2)cc1)N1CCN(C)CC1 ZINC000736013021 598406971 /nfs/dbraw/zinc/40/69/71/598406971.db2.gz BEBKHOOTISBXFU-CQSZACIVSA-N 0 1 389.529 0.852 20 0 GCADMN CC[C@@H](C)N(C)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736321661 598424250 /nfs/dbraw/zinc/42/42/50/598424250.db2.gz FRIHRWGPVTWGRK-CYBMUJFWSA-N 0 1 394.501 0.628 20 0 GCADMN CC[C@H](C)N(C)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736321662 598424503 /nfs/dbraw/zinc/42/45/03/598424503.db2.gz FRIHRWGPVTWGRK-ZDUSSCGKSA-N 0 1 394.501 0.628 20 0 GCADMN Cc1oc(NC(=O)[C@@H](C)N2CCO[C@H](C[NH+](C)C)C2)c(-c2nn[n-]n2)c1C ZINC000737550699 598427600 /nfs/dbraw/zinc/42/76/00/598427600.db2.gz BRVCPOFPGMHSTP-DGCLKSJQSA-N 0 1 377.449 0.666 20 0 GCADMN Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000737776429 598437116 /nfs/dbraw/zinc/43/71/16/598437116.db2.gz MWQULIONLBXZBC-OAHLLOKOSA-N 0 1 393.455 0.945 20 0 GCADMN COC(=O)[C@@H]1C[C@H]1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736906952 598452170 /nfs/dbraw/zinc/45/21/70/598452170.db2.gz GTZHVLOZNJSGGA-HZPDHXFCSA-N 0 1 384.440 0.710 20 0 GCADMN COC(=O)NCCC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736936677 598457878 /nfs/dbraw/zinc/45/78/78/598457878.db2.gz GMEXDWQSVKOQRG-UHFFFAOYSA-N 0 1 387.444 0.647 20 0 GCADMN O=C([C@@H]1CCCCN1CCOc1cccc(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000737791230 598463682 /nfs/dbraw/zinc/46/36/82/598463682.db2.gz ISLOYQHJWVUVKF-KRWDZBQOSA-N 0 1 386.456 0.959 20 0 GCADMN COCCN1CC[C@H](NC(=O)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C1 ZINC000737008900 598466046 /nfs/dbraw/zinc/46/60/46/598466046.db2.gz WNSWLYIEJXCPAA-NSHDSACASA-N 0 1 393.835 0.296 20 0 GCADMN c1nn2cc(C[NH2+]CCCc3nnc4n3CCCCC4)cnc2c1-c1nnn[n-]1 ZINC000738451544 598467525 /nfs/dbraw/zinc/46/75/25/598467525.db2.gz HVUFIZWQHYPVEM-UHFFFAOYSA-N 0 1 393.459 0.950 20 0 GCADMN c1nn2cc(C[NH2+]CCCc3nnc4n3CCCCC4)cnc2c1-c1nn[n-]n1 ZINC000738451544 598467527 /nfs/dbraw/zinc/46/75/27/598467527.db2.gz HVUFIZWQHYPVEM-UHFFFAOYSA-N 0 1 393.459 0.950 20 0 GCADMN CN1CCN(c2cc(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)ccn2)CC1 ZINC000112296320 598505252 /nfs/dbraw/zinc/50/52/52/598505252.db2.gz FMYRTERBJZXODO-UHFFFAOYSA-N 0 1 378.440 0.944 20 0 GCADMN COCCN1CCC[C@@H]1CNS(=O)(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000737006493 598508793 /nfs/dbraw/zinc/50/87/93/598508793.db2.gz YACTXETZBLSQRF-OAHLLOKOSA-N 0 1 380.474 0.397 20 0 GCADMN CN(C)S(=O)(=O)CCCN1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736771174 598509988 /nfs/dbraw/zinc/50/99/88/598509988.db2.gz IXWAEQSYZOSZPQ-UHFFFAOYSA-N 0 1 393.517 0.266 20 0 GCADMN Cc1cccc(C)c1NC(=O)C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000737388803 598518828 /nfs/dbraw/zinc/51/88/28/598518828.db2.gz FVTVCXQLUHKZTR-CYBMUJFWSA-N 0 1 381.444 0.950 20 0 GCADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)c1cn(C)cn1 ZINC000736768166 598525928 /nfs/dbraw/zinc/52/59/28/598525928.db2.gz XBYSURRPWJUTLJ-UHFFFAOYSA-N 0 1 390.473 0.353 20 0 GCADMN CN1CCC[C@H](NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000736859276 598564002 /nfs/dbraw/zinc/56/40/02/598564002.db2.gz YKMJNYCVGYKSAD-JTQLQIEISA-N 0 1 395.370 0.617 20 0 GCADMN CC(C)N1CCO[C@H](CN2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883076 598611636 /nfs/dbraw/zinc/61/16/36/598611636.db2.gz WBTLQQRHYDQDFO-GOSISDBHSA-N 0 1 399.499 0.734 20 0 GCADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000738388957 598618938 /nfs/dbraw/zinc/61/89/38/598618938.db2.gz USTUYQXFHFHNPU-YUTCNCBUSA-N 0 1 387.362 0.994 20 0 GCADMN CN1CCN(C)[C@@H](CNC(=O)CSCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736855884 598625817 /nfs/dbraw/zinc/62/58/17/598625817.db2.gz GJSDPNQSWRHDIH-HNNXBMFYSA-N 0 1 375.502 0.462 20 0 GCADMN CN(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)c1ccco1 ZINC000736759234 598630088 /nfs/dbraw/zinc/63/00/88/598630088.db2.gz KSJOPLLCXIQQLS-ZDUSSCGKSA-N 0 1 377.430 0.822 20 0 GCADMN COc1cc2c(cc1OC)CN(C(=O)Cn1cccc(-c3nn[nH]n3)c1=O)CC2 ZINC000737056681 598676018 /nfs/dbraw/zinc/67/60/18/598676018.db2.gz YCWISPLTXYAZIZ-UHFFFAOYSA-N 0 1 396.407 0.631 20 0 GCADMN CCNC(=O)CCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736573988 598683289 /nfs/dbraw/zinc/68/32/89/598683289.db2.gz MBBKUAWEBDDFBE-UHFFFAOYSA-N 0 1 388.432 0.297 20 0 GCADMN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@H]1CN(C)CCN1C ZINC000735736680 598695321 /nfs/dbraw/zinc/69/53/21/598695321.db2.gz VHYQSCFYXPBIDV-WMLDXEAASA-N 0 1 387.488 0.632 20 0 GCADMN O=C(NCc1nn[nH]n1)c1ccc(OCc2ccccc2-c2nn[nH]n2)cc1 ZINC000738122878 598697791 /nfs/dbraw/zinc/69/77/91/598697791.db2.gz JULBLWYQEHEPGG-UHFFFAOYSA-N 0 1 377.368 0.889 20 0 GCADMN CN1CCN(C[C@@H]2CN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736864566 598715784 /nfs/dbraw/zinc/71/57/84/598715784.db2.gz SAKWXXCKLAZCEO-MRXNPFEDSA-N 0 1 386.460 0.347 20 0 GCADMN O=C1CCCN1C[C@H](O)CN1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000738304441 598728354 /nfs/dbraw/zinc/72/83/54/598728354.db2.gz YSTMAHSFELANBE-CYBMUJFWSA-N 0 1 389.435 0.111 20 0 GCADMN CC(C)(O)CN1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000735678434 598762697 /nfs/dbraw/zinc/76/26/97/598762697.db2.gz QNSJHVSAASCCEX-MRXNPFEDSA-N 0 1 385.472 0.361 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCC[S@@](=O)C(C)(C)C)cc1-c1nn[nH]n1 ZINC000737186078 598780056 /nfs/dbraw/zinc/78/00/56/598780056.db2.gz FZBQVNTVRISZDX-RUZDIDTESA-N 0 1 384.487 0.966 20 0 GCADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000735562718 598811621 /nfs/dbraw/zinc/81/16/21/598811621.db2.gz QPNBJFJYQBNGHZ-XYPHTWIQSA-N 0 1 385.472 0.725 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000737487305 598813595 /nfs/dbraw/zinc/81/35/95/598813595.db2.gz HJSHFDSPVHJWSX-NSHDSACASA-N 0 1 385.476 0.915 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000737487305 598813597 /nfs/dbraw/zinc/81/35/97/598813597.db2.gz HJSHFDSPVHJWSX-NSHDSACASA-N 0 1 385.476 0.915 20 0 GCADMN C[N@H+]1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nnn[n-]3)CC2)C1 ZINC000736847255 598814533 /nfs/dbraw/zinc/81/45/33/598814533.db2.gz FXDFEGBAJWUBRP-GFCCVEGCSA-N 0 1 398.427 0.715 20 0 GCADMN C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[n-]n3)CC2)C1 ZINC000736847255 598814536 /nfs/dbraw/zinc/81/45/36/598814536.db2.gz 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/nfs/dbraw/zinc/89/15/31/601891531.db2.gz HGZSHJGIYPUKKD-SFHVURJKSA-N 0 1 375.381 0.996 20 0 GCADMN COC(=O)[C@@]1(C)CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)C1 ZINC000831089205 601891534 /nfs/dbraw/zinc/89/15/34/601891534.db2.gz HGZSHJGIYPUKKD-SFHVURJKSA-N 0 1 375.381 0.996 20 0 GCADMN Cc1cccc(S(=O)(=O)Nc2cccc(S(N)(=O)=O)c2)c1-c1nn[nH]n1 ZINC000826304014 607533278 /nfs/dbraw/zinc/53/32/78/607533278.db2.gz RDKYKHUAUDVNSJ-UHFFFAOYSA-N 0 1 394.438 0.623 20 0 GCADMN COC(=O)c1cc(NC(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc(C(=O)OC)c1 ZINC000573614908 601914107 /nfs/dbraw/zinc/91/41/07/601914107.db2.gz RHRAQSKMTCQYHM-SFHVURJKSA-N 0 1 378.381 0.995 20 0 GCADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000828024161 601917960 /nfs/dbraw/zinc/91/79/60/601917960.db2.gz JIDTVZOSSNRTBX-FQEVSTJZSA-N 0 1 375.469 0.932 20 0 GCADMN O=C([O-])C[C@H]1CSCC[N@@H+]1C[C@H](O)Cn1c(=O)onc1-c1ccccc1 ZINC000833222056 601921746 /nfs/dbraw/zinc/92/17/46/601921746.db2.gz RTSYZGJBDCBUCX-KBPBESRZSA-N 0 1 379.438 0.756 20 0 GCADMN COc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000832393923 601922169 /nfs/dbraw/zinc/92/21/69/601922169.db2.gz JZXHQQGVAAWFAE-QGZVFWFLSA-N 0 1 399.469 0.681 20 0 GCADMN O=C([O-])C[C@@H]1CSCC[N@H+]1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000833220911 601925282 /nfs/dbraw/zinc/92/52/82/601925282.db2.gz CUGDRTIMHKGFGB-CQSZACIVSA-N 0 1 379.486 0.407 20 0 GCADMN C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000825990402 601926497 /nfs/dbraw/zinc/92/64/97/601926497.db2.gz MAMHBYNNPSBLCZ-ZIAGYGMSSA-N 0 1 395.481 0.845 20 0 GCADMN C[C@]1(C(=O)[O-])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000828020046 601927574 /nfs/dbraw/zinc/92/75/74/601927574.db2.gz HRPRTNZGIYLOJA-SFHVURJKSA-N 0 1 395.481 0.316 20 0 GCADMN Cc1ccc(NC(=O)C[N@H+]2CC[C@](C)(C(=O)[O-])C2)cc1S(=O)(=O)N(C)C ZINC000832943515 601945539 /nfs/dbraw/zinc/94/55/39/601945539.db2.gz DHWLXARWAVQFCY-KRWDZBQOSA-N 0 1 383.470 0.980 20 0 GCADMN COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1C(=O)[O-] ZINC000831394939 601977229 /nfs/dbraw/zinc/97/72/29/601977229.db2.gz WROKBPZGHWXYDA-BMIGLBTASA-N 0 1 389.408 0.709 20 0 GCADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000832901395 601978304 /nfs/dbraw/zinc/97/83/04/601978304.db2.gz PDMXFPLECFNTSU-MLGOLLRUSA-N 0 1 375.425 0.996 20 0 GCADMN COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000831243174 602063434 /nfs/dbraw/zinc/06/34/34/602063434.db2.gz VQSPRRRDTDXSAW-MEBBXXQBSA-N 0 1 382.438 0.932 20 0 GCADMN CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000737624568 602116784 /nfs/dbraw/zinc/11/67/84/602116784.db2.gz YJQXGYGRCZRSKE-INIZCTEOSA-N 0 1 377.441 0.725 20 0 GCADMN C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)C1 ZINC000738014387 602128176 /nfs/dbraw/zinc/12/81/76/602128176.db2.gz BSFASNCIUZHVQX-KRWDZBQOSA-N 0 1 388.468 0.491 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1cccc(CC(=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000737670005 602128464 /nfs/dbraw/zinc/12/84/64/602128464.db2.gz VPGPIUYSMTUQMU-AWEZNQCLSA-N 0 1 376.457 0.252 20 0 GCADMN C[C@@H](CC(=O)[O-])C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000827310707 602146581 /nfs/dbraw/zinc/14/65/81/602146581.db2.gz LJXCCTWKSJYGJS-AWEZNQCLSA-N 0 1 376.457 0.946 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2C(=O)[O-])CC1 ZINC000830934741 602221586 /nfs/dbraw/zinc/22/15/86/602221586.db2.gz JIHPFMLUNBNTQQ-CQSZACIVSA-N 0 1 399.444 0.451 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000830935300 602221776 /nfs/dbraw/zinc/22/17/76/602221776.db2.gz VIHLBNPPXRWVPE-HNNXBMFYSA-N 0 1 399.444 0.451 20 0 GCADMN Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1C(=O)[O-] ZINC000832903295 602222486 /nfs/dbraw/zinc/22/24/86/602222486.db2.gz XHPMDURATIACHO-MRXNPFEDSA-N 0 1 395.481 0.620 20 0 GCADMN Cc1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C(=O)[O-] ZINC000832972653 602222492 /nfs/dbraw/zinc/22/24/92/602222492.db2.gz IZPBZNBBVOWAOF-AWEZNQCLSA-N 0 1 395.481 0.620 20 0 GCADMN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000832852126 602222623 /nfs/dbraw/zinc/22/26/23/602222623.db2.gz QCDPPTRIMLSDMG-HNNXBMFYSA-N 0 1 395.481 0.620 20 0 GCADMN Cc1[nH]c(C(=O)[C@H](C)N2CC[NH+](CCC(=O)N(C)C)CC2)c(C)c1C(=O)[O-] ZINC000832843610 602239025 /nfs/dbraw/zinc/23/90/25/602239025.db2.gz YLJCNHRRXDXZAC-AWEZNQCLSA-N 0 1 378.473 0.997 20 0 GCADMN CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000828943003 602263607 /nfs/dbraw/zinc/26/36/07/602263607.db2.gz CECGYWCQXBRUSJ-NVXWUHKLSA-N 0 1 387.440 0.772 20 0 GCADMN CC[C@@H](NC(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000828943003 602263611 /nfs/dbraw/zinc/26/36/11/602263611.db2.gz CECGYWCQXBRUSJ-NVXWUHKLSA-N 0 1 387.440 0.772 20 0 GCADMN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000825851052 607556216 /nfs/dbraw/zinc/55/62/16/607556216.db2.gz SYFLWDKDRACDGT-DFBGVHRSSA-N 0 1 393.473 0.134 20 0 GCADMN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000825851052 607556218 /nfs/dbraw/zinc/55/62/18/607556218.db2.gz SYFLWDKDRACDGT-DFBGVHRSSA-N 0 1 393.473 0.134 20 0 GCADMN CN(C)C(=O)CC[NH+]1CCN(C(=O)NCCOc2ccc(C(=O)[O-])cc2)CC1 ZINC000830547531 602283555 /nfs/dbraw/zinc/28/35/55/602283555.db2.gz XFLDCTDWBIEWQV-UHFFFAOYSA-N 0 1 392.456 0.569 20 0 GCADMN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+](CC(=O)[O-])C1CCCC1 ZINC000828515333 602337296 /nfs/dbraw/zinc/33/72/96/602337296.db2.gz AXHIUZSRQONWGL-GFCCVEGCSA-N 0 1 395.481 0.941 20 0 GCADMN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000828515333 602337298 /nfs/dbraw/zinc/33/72/98/602337298.db2.gz AXHIUZSRQONWGL-GFCCVEGCSA-N 0 1 395.481 0.941 20 0 GCADMN C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000830773442 602346530 /nfs/dbraw/zinc/34/65/30/602346530.db2.gz XCDXRCPONVLLRQ-UVTDQMKNSA-N 0 1 391.515 0.234 20 0 GCADMN Cn1cc(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1C(=O)[O-] ZINC000833049962 602374147 /nfs/dbraw/zinc/37/41/47/602374147.db2.gz BWTGNOIFCBAYAY-UHFFFAOYSA-N 0 1 387.444 0.847 20 0 GCADMN O=C([O-])N1CCC[C@@H](NC(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000739401536 603304538 /nfs/dbraw/zinc/30/45/38/603304538.db2.gz CGRXXELQHNRLOG-SJORKVTESA-N 0 1 376.457 0.847 20 0 GCADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)NC[C@@H](O)CN1CCCCC1 ZINC000826256084 607624847 /nfs/dbraw/zinc/62/48/47/607624847.db2.gz UMHBWFUUZJAXJF-CQSZACIVSA-N 0 1 380.474 0.300 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NCCCN1CCC(O)CC1 ZINC000826280207 607624893 /nfs/dbraw/zinc/62/48/93/607624893.db2.gz RFRFXSYEWTWWIH-UHFFFAOYSA-N 0 1 380.474 0.300 20 0 GCADMN O=S(=O)(NCCCC[N@H+]1CCC[C@H]1CO)c1cccc(F)c1-c1nnn[n-]1 ZINC000826491241 607634565 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GCADMN O=S(=O)(NC[C@@]1(O)CCSC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826490514 607661077 /nfs/dbraw/zinc/66/10/77/607661077.db2.gz XVTLVKFEXALPBK-LBPRGKRZSA-N 0 1 377.398 0.291 20 0 GCADMN C[NH+]1CCN(CC(=O)N2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)CC1 ZINC000830949688 604346052 /nfs/dbraw/zinc/34/60/52/604346052.db2.gz FSUOSXHBCBPPNJ-GOSISDBHSA-N 0 1 394.903 0.857 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC000830935248 604372173 /nfs/dbraw/zinc/37/21/73/604372173.db2.gz TYLVMACVDKXUQJ-AEFFLSMTSA-N 0 1 391.468 0.363 20 0 GCADMN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000827015216 604397437 /nfs/dbraw/zinc/39/74/37/604397437.db2.gz AWGIKHIUYTWHGY-HNNXBMFYSA-N 0 1 379.461 0.325 20 0 GCADMN CN1CCO[C@H]2C[N@H+](CC3=C(C(=O)[O-])[C@@H](c4ccccc4)NC(=O)N3C)C[C@@H]21 ZINC000830902394 604424285 /nfs/dbraw/zinc/42/42/85/604424285.db2.gz ROLLZWVCBFDBED-QILLFSRXSA-N 0 1 386.452 0.736 20 0 GCADMN 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C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000820788585 606781846 /nfs/dbraw/zinc/78/18/46/606781846.db2.gz KARYERSRDJKVDW-GDBMZVCRSA-N 0 1 380.456 0.771 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000820788585 606781847 /nfs/dbraw/zinc/78/18/47/606781847.db2.gz KARYERSRDJKVDW-GDBMZVCRSA-N 0 1 380.456 0.771 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC000820788585 606781848 /nfs/dbraw/zinc/78/18/48/606781848.db2.gz KARYERSRDJKVDW-GDBMZVCRSA-N 0 1 380.456 0.771 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000820788585 606781849 /nfs/dbraw/zinc/78/18/49/606781849.db2.gz KARYERSRDJKVDW-GDBMZVCRSA-N 0 1 380.456 0.771 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@@H+]1CCC(=O)N1CCCCC1 ZINC000820788630 606781910 /nfs/dbraw/zinc/78/19/10/606781910.db2.gz KXPPDWBGHILBBU-CQSZACIVSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CC[N@H+]1CCC(=O)N1CCCCC1 ZINC000820788630 606781911 /nfs/dbraw/zinc/78/19/11/606781911.db2.gz KXPPDWBGHILBBU-CQSZACIVSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@@H+]1CCC(=O)N1CCCCC1 ZINC000820788630 606781912 /nfs/dbraw/zinc/78/19/12/606781912.db2.gz KXPPDWBGHILBBU-CQSZACIVSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CC[N@H+]1CCC(=O)N1CCCCC1 ZINC000820788630 606781913 /nfs/dbraw/zinc/78/19/13/606781913.db2.gz KXPPDWBGHILBBU-CQSZACIVSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)[N@H+](C)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820111599 606791791 /nfs/dbraw/zinc/79/17/91/606791791.db2.gz BPWKKDNYYVPZEV-ZDUSSCGKSA-N 0 1 388.480 0.217 20 0 GCADMN CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820111599 606791794 /nfs/dbraw/zinc/79/17/94/606791794.db2.gz BPWKKDNYYVPZEV-ZDUSSCGKSA-N 0 1 388.480 0.217 20 0 GCADMN CC(C)[N@H+](C)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820111599 606791795 /nfs/dbraw/zinc/79/17/95/606791795.db2.gz BPWKKDNYYVPZEV-ZDUSSCGKSA-N 0 1 388.480 0.217 20 0 GCADMN CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820111599 606791798 /nfs/dbraw/zinc/79/17/98/606791798.db2.gz BPWKKDNYYVPZEV-ZDUSSCGKSA-N 0 1 388.480 0.217 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCN(c3nccnc3-c3nnn[n-]3)C[C@@H]2C)CC1 ZINC000820722391 606808790 /nfs/dbraw/zinc/80/87/90/606808790.db2.gz IJLLBCPKRLFHBF-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCN(c3nccnc3-c3nn[n-]n3)C[C@@H]2C)CC1 ZINC000820722391 606808793 /nfs/dbraw/zinc/80/87/93/606808793.db2.gz IJLLBCPKRLFHBF-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000821586356 606810976 /nfs/dbraw/zinc/81/09/76/606810976.db2.gz UOWQLAFQECOQSQ-RXAIFQJESA-N 0 1 391.501 0.461 20 0 GCADMN C[NH+](C)C1(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[n-]n3)CC2)CCC1 ZINC000821581707 606834410 /nfs/dbraw/zinc/83/44/10/606834410.db2.gz SUBNAAFDPKVVCK-UHFFFAOYSA-N 0 1 386.460 0.865 20 0 GCADMN C[C@@]1(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCS(=O)(=O)C1 ZINC000820623134 606882496 /nfs/dbraw/zinc/88/24/96/606882496.db2.gz GCURQYQQWBZISY-GFCCVEGCSA-N 0 1 393.397 0.000 20 0 GCADMN COC(=O)C1(NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CCCC1 ZINC000821653792 606885006 /nfs/dbraw/zinc/88/50/06/606885006.db2.gz KZGHLJOABWIKMI-UHFFFAOYSA-N 0 1 387.368 0.909 20 0 GCADMN CC(C)N1C[C@H](NS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CC1=O ZINC000820126533 606887795 /nfs/dbraw/zinc/88/77/95/606887795.db2.gz ABEJQYKJGHPIFY-SECBINFHSA-N 0 1 386.384 0.433 20 0 GCADMN O=C1OCCN1CCCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823551297 606890703 /nfs/dbraw/zinc/89/07/03/606890703.db2.gz LUFSQYWCKAKUAX-UHFFFAOYSA-N 0 1 388.356 0.266 20 0 GCADMN O=S(=O)(NCCN1CCSCC1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823579028 606890903 /nfs/dbraw/zinc/89/09/03/606890903.db2.gz YRLVCDUZIHYUOT-UHFFFAOYSA-N 0 1 390.441 0.472 20 0 GCADMN CCN1CCO[C@H](CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)C1 ZINC000821276415 606892282 /nfs/dbraw/zinc/89/22/82/606892282.db2.gz LFXVKJVHHBBYBL-SNVBAGLBSA-N 0 1 388.400 0.144 20 0 GCADMN CS(=O)(=O)N[C@@H]1CCCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821932813 606892439 /nfs/dbraw/zinc/89/24/39/606892439.db2.gz RWTUKBNCCHUPST-CQSZACIVSA-N 0 1 380.474 0.649 20 0 GCADMN O=S(=O)(NCCOC[C@@H]1CCCO1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823578209 606892960 /nfs/dbraw/zinc/89/29/60/606892960.db2.gz JYNNKEGKEHXOGS-JTQLQIEISA-N 0 1 389.384 0.619 20 0 GCADMN O=C([C@H]1CCCCN1C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCOCC1 ZINC000822917292 606893754 /nfs/dbraw/zinc/89/37/54/606893754.db2.gz SARNSHLUHXGQFT-IAGOWNOFSA-N 0 1 386.456 0.613 20 0 GCADMN NC(=O)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000822858487 606894482 /nfs/dbraw/zinc/89/44/82/606894482.db2.gz AXNXGCLYPGJJRB-LDYMZIIASA-N 0 1 386.384 0.467 20 0 GCADMN COC(=O)C[C@@H](NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C1CC1 ZINC000821659092 606895800 /nfs/dbraw/zinc/89/58/00/606895800.db2.gz QZBVNVVPXRQWQK-LLVKDONJSA-N 0 1 387.368 0.765 20 0 GCADMN COC[C@@](C)(NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)C(=O)OC ZINC000821680293 606896365 /nfs/dbraw/zinc/89/63/65/606896365.db2.gz FODLSTPFFPHBQR-CYBMUJFWSA-N 0 1 391.356 0.001 20 0 GCADMN CCN1C(=O)[C@H]2CN(CCCOc3cccc(-c4nn[nH]n4)c3)CCN2C1=O ZINC000821242879 606908415 /nfs/dbraw/zinc/90/84/15/606908415.db2.gz XHZXOCGTWOSJJQ-OAHLLOKOSA-N 0 1 385.428 0.604 20 0 GCADMN CN(C1CCN(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)S(C)(=O)=O ZINC000821592460 606921212 /nfs/dbraw/zinc/92/12/12/606921212.db2.gz HDCSMYHXCLWCEJ-HNNXBMFYSA-N 0 1 380.474 0.256 20 0 GCADMN CC(C)N1C(=O)N[C@]2(CCN(C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)C2)C1=O ZINC000820128530 606927793 /nfs/dbraw/zinc/92/77/93/606927793.db2.gz QITDSKXORIQPON-KDOFPFPSSA-N 0 1 385.428 0.305 20 0 GCADMN COC(C)(C)C[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000821672835 606985789 /nfs/dbraw/zinc/98/57/89/606985789.db2.gz ZSLVIWFFKAIFNY-UHFFFAOYSA-N 0 1 392.464 0.169 20 0 GCADMN COC(C)(C)C[N@@H+](C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[n-]n2)CC1 ZINC000821672835 606985790 /nfs/dbraw/zinc/98/57/90/606985790.db2.gz ZSLVIWFFKAIFNY-UHFFFAOYSA-N 0 1 392.464 0.169 20 0 GCADMN C[C@H](CCNS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F)[S@](C)=O ZINC000820240761 607005919 /nfs/dbraw/zinc/00/59/19/607005919.db2.gz DDRMNIRMUSYYIR-WBOGJMANSA-N 0 1 379.414 0.580 20 0 GCADMN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1C1CCCCC1 ZINC000823513558 607008777 /nfs/dbraw/zinc/00/87/77/607008777.db2.gz VBWBTISHFMWJAS-DOMZBBRYSA-N 0 1 385.476 0.628 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)cc1-c1nn[nH]n1 ZINC000821969944 607020628 /nfs/dbraw/zinc/02/06/28/607020628.db2.gz HFVRCAQQTWUEJI-GHMZBOCLSA-N 0 1 389.441 0.572 20 0 GCADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000819997328 607023606 /nfs/dbraw/zinc/02/36/06/607023606.db2.gz UCJYPAQQFIWCRM-GFCCVEGCSA-N 0 1 385.388 0.137 20 0 GCADMN C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CCN(S(C)(=O)=O)CC1 ZINC000821604931 607091754 /nfs/dbraw/zinc/09/17/54/607091754.db2.gz NMPPMYPLOOOGKW-UHFFFAOYSA-N 0 1 380.474 0.601 20 0 GCADMN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820650618 607127381 /nfs/dbraw/zinc/12/73/81/607127381.db2.gz WIPSJBODWCJBLL-XQQFMLRXSA-N 0 1 379.490 0.906 20 0 GCADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000820650618 607127383 /nfs/dbraw/zinc/12/73/83/607127383.db2.gz WIPSJBODWCJBLL-XQQFMLRXSA-N 0 1 379.490 0.906 20 0 GCADMN C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820650618 607127384 /nfs/dbraw/zinc/12/73/84/607127384.db2.gz WIPSJBODWCJBLL-XQQFMLRXSA-N 0 1 379.490 0.906 20 0 GCADMN C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000820650618 607127386 /nfs/dbraw/zinc/12/73/86/607127386.db2.gz WIPSJBODWCJBLL-XQQFMLRXSA-N 0 1 379.490 0.906 20 0 GCADMN O=C([C@H]1CCNC(=O)C1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823519920 607153051 /nfs/dbraw/zinc/15/30/51/607153051.db2.gz JYPQLTIMZWKVKG-INIZCTEOSA-N 0 1 383.456 0.427 20 0 GCADMN Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1CN1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000822505788 607158942 /nfs/dbraw/zinc/15/89/42/607158942.db2.gz WKRKYORHCBAJMX-HOTGVXAUSA-N 0 1 381.444 0.406 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000822614586 607194973 /nfs/dbraw/zinc/19/49/73/607194973.db2.gz NZZPBLBKXWJHIR-ZIAGYGMSSA-N 0 1 389.464 0.490 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000822614586 607194974 /nfs/dbraw/zinc/19/49/74/607194974.db2.gz NZZPBLBKXWJHIR-ZIAGYGMSSA-N 0 1 389.464 0.490 20 0 GCADMN O=C(CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(Cl)ccc1Cl ZINC000823126293 607205185 /nfs/dbraw/zinc/20/51/85/607205185.db2.gz HFNFBZQAGBLOIG-UHFFFAOYSA-N 0 1 396.198 0.520 20 0 GCADMN Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822206816 607205230 /nfs/dbraw/zinc/20/52/30/607205230.db2.gz AEOVHGDLAVWLBG-UHFFFAOYSA-N 0 1 382.432 0.157 20 0 GCADMN CC[NH+](CC)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1cccc(OC)c1 ZINC000821181391 607206282 /nfs/dbraw/zinc/20/62/82/607206282.db2.gz MPXFHXSFKDOUKN-HNNXBMFYSA-N 0 1 399.459 0.666 20 0 GCADMN CC(C)(CNC(=O)Cn1cnc(-c2nnn[n-]2)n1)[N@H+]1CCc2ccccc2C1 ZINC000819980264 607206983 /nfs/dbraw/zinc/20/69/83/607206983.db2.gz BFKINNWNBSYHHF-UHFFFAOYSA-N 0 1 381.444 0.411 20 0 GCADMN CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)[N@@H+]1CCc2ccccc2C1 ZINC000819980264 607206984 /nfs/dbraw/zinc/20/69/84/607206984.db2.gz BFKINNWNBSYHHF-UHFFFAOYSA-N 0 1 381.444 0.411 20 0 GCADMN CC(C)(CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)[N@H+]1CCc2ccccc2C1 ZINC000819980264 607206985 /nfs/dbraw/zinc/20/69/85/607206985.db2.gz BFKINNWNBSYHHF-UHFFFAOYSA-N 0 1 381.444 0.411 20 0 GCADMN CC[NH+](CC)[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)Cc1ccccc1 ZINC000821180830 607207437 /nfs/dbraw/zinc/20/74/37/607207437.db2.gz HPDGWUNCXZRJPC-OAHLLOKOSA-N 0 1 383.460 0.528 20 0 GCADMN C[C@@H]1CN(c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)C[C@H](C)O1 ZINC000820777128 607208129 /nfs/dbraw/zinc/20/81/29/607208129.db2.gz PLFCXUUQDGJYLV-PHIMTYICSA-N 0 1 384.404 0.106 20 0 GCADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820334178 607208190 /nfs/dbraw/zinc/20/81/90/607208190.db2.gz KMMSGVCPHMKJRY-JTQLQIEISA-N 0 1 396.415 0.620 20 0 GCADMN Cn1ccnc1COc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000822699079 607208329 /nfs/dbraw/zinc/20/83/29/607208329.db2.gz NJYXNSVRCBVGGS-UHFFFAOYSA-N 0 1 380.372 0.409 20 0 GCADMN C[C@@H]1CN(c2ccccc2NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@H](C)O1 ZINC000820776898 607208962 /nfs/dbraw/zinc/20/89/62/607208962.db2.gz NOTMXRYTUIGJHI-TXEJJXNPSA-N 0 1 383.416 0.711 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000823131955 607209124 /nfs/dbraw/zinc/20/91/24/607209124.db2.gz SBZVZBBGGYKNOO-UHFFFAOYSA-N 0 1 387.791 0.643 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000823126621 607209914 /nfs/dbraw/zinc/20/99/14/607209914.db2.gz KJYCSPIFKNOOJL-OAHLLOKOSA-N 0 1 382.384 0.497 20 0 GCADMN CC(C)CC(=O)Nc1cccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000820051110 607210867 /nfs/dbraw/zinc/21/08/67/607210867.db2.gz LHENRLOQVFUEJV-UHFFFAOYSA-N 0 1 383.416 0.759 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(N2CCOC2=O)c1 ZINC000820333989 607210982 /nfs/dbraw/zinc/21/09/82/607210982.db2.gz IHVDGCYLKWNGCY-SNVBAGLBSA-N 0 1 383.372 0.292 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(N2CCCC2=O)cc1 ZINC000820335386 607211040 /nfs/dbraw/zinc/21/10/40/607211040.db2.gz XOJWGDNPEYGDKR-LLVKDONJSA-N 0 1 381.400 0.462 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(N2CCOC2=O)cc1 ZINC000820335137 607211098 /nfs/dbraw/zinc/21/10/98/607211098.db2.gz UAVZNFQBGQTEHF-SNVBAGLBSA-N 0 1 383.372 0.292 20 0 GCADMN O=C(Nc1ccccc1)NC1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000823367713 607211165 /nfs/dbraw/zinc/21/11/65/607211165.db2.gz NWIIMLBZNGYBTA-UHFFFAOYSA-N 0 1 396.415 0.271 20 0 GCADMN O=C(Cn1cnc(-c2nnn[n-]2)n1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000823126598 607211774 /nfs/dbraw/zinc/21/17/74/607211774.db2.gz JWGHTIWNJXUBKH-HNNXBMFYSA-N 0 1 381.444 0.487 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000823126598 607211775 /nfs/dbraw/zinc/21/17/75/607211775.db2.gz JWGHTIWNJXUBKH-HNNXBMFYSA-N 0 1 381.444 0.487 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000823126598 607211776 /nfs/dbraw/zinc/21/17/76/607211776.db2.gz JWGHTIWNJXUBKH-HNNXBMFYSA-N 0 1 381.444 0.487 20 0 GCADMN Cc1c(Cl)cccc1NC(=O)CCNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822034694 607212789 /nfs/dbraw/zinc/21/27/89/607212789.db2.gz JRTWQKMRQSJYCS-UHFFFAOYSA-N 0 1 389.807 0.565 20 0 GCADMN CCOC(=O)c1oc2ccccc2c1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821346820 607213644 /nfs/dbraw/zinc/21/36/44/607213644.db2.gz QEEZKAHIRZZHEH-UHFFFAOYSA-N 0 1 396.367 0.698 20 0 GCADMN Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822496707 607215208 /nfs/dbraw/zinc/21/52/08/607215208.db2.gz SWNZFQRCLGXUHF-VIFPVBQESA-N 0 1 376.812 0.517 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCc1cccc(Br)c1 ZINC000823132055 607216237 /nfs/dbraw/zinc/21/62/37/607216237.db2.gz XINABZUVDVBYIN-UHFFFAOYSA-N 0 1 391.233 0.970 20 0 GCADMN O=C(Cn1cnc(-c2nnn[n-]2)n1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000823126074 607216262 /nfs/dbraw/zinc/21/62/62/607216262.db2.gz HAGMVAUFAWFEGQ-MQVJKMGUSA-N 0 1 393.455 0.770 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000823126074 607216263 /nfs/dbraw/zinc/21/62/63/607216263.db2.gz HAGMVAUFAWFEGQ-MQVJKMGUSA-N 0 1 393.455 0.770 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000823126074 607216264 /nfs/dbraw/zinc/21/62/64/607216264.db2.gz HAGMVAUFAWFEGQ-MQVJKMGUSA-N 0 1 393.455 0.770 20 0 GCADMN CC(C)c1cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n(-c2ncccn2)n1 ZINC000820187485 607216563 /nfs/dbraw/zinc/21/65/63/607216563.db2.gz DBUDBLIFCYQKKS-UHFFFAOYSA-N 0 1 380.376 0.196 20 0 GCADMN C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000820735095 607216688 /nfs/dbraw/zinc/21/66/88/607216688.db2.gz QDUGKPLIRZCUPD-PHIMTYICSA-N 0 1 391.436 0.315 20 0 GCADMN CC(C)[C@@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)NC(=O)OC(C)(C)C ZINC000820021059 607217232 /nfs/dbraw/zinc/21/72/32/607217232.db2.gz OWONVNHBMFLQCU-SNVBAGLBSA-N 0 1 379.425 0.124 20 0 GCADMN CN(C)[C@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1c(F)cccc1F ZINC000821579746 607217468 /nfs/dbraw/zinc/21/74/68/607217468.db2.gz MFYRWRXKTMHWCF-LLVKDONJSA-N 0 1 377.359 0.156 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000823123083 607218473 /nfs/dbraw/zinc/21/84/73/607218473.db2.gz NBJYGZUZUDANAI-UHFFFAOYSA-N 0 1 384.244 0.802 20 0 GCADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820761603 607218675 /nfs/dbraw/zinc/21/86/75/607218675.db2.gz YIVWMGLPSPAPMJ-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820761603 607218676 /nfs/dbraw/zinc/21/86/76/607218676.db2.gz YIVWMGLPSPAPMJ-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820761603 607218677 /nfs/dbraw/zinc/21/86/77/607218677.db2.gz YIVWMGLPSPAPMJ-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(-c2cccc(F)c2)no1 ZINC000820335124 607219901 /nfs/dbraw/zinc/21/99/01/607219901.db2.gz TXESQOGDIGIJCY-MRVPVSSYSA-N 0 1 384.335 0.525 20 0 GCADMN COc1ccccc1-c1noc([C@@H](C)NC(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000821882807 607220132 /nfs/dbraw/zinc/22/01/32/607220132.db2.gz LGZOFCZWINGEMF-SECBINFHSA-N 0 1 396.371 0.394 20 0 GCADMN CCOC(=O)C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1C ZINC000821326237 607220747 /nfs/dbraw/zinc/22/07/47/607220747.db2.gz VPJBZDOKCPSXKW-CYBMUJFWSA-N 0 1 384.400 0.577 20 0 GCADMN COC(=O)[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC000821640892 607220878 /nfs/dbraw/zinc/22/08/78/607220878.db2.gz RFIRMRYKSULIAI-LLVKDONJSA-N 0 1 376.764 0.142 20 0 GCADMN COC(=O)c1sc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)nc1C(C)(C)C ZINC000821671470 607221390 /nfs/dbraw/zinc/22/13/90/607221390.db2.gz XJNKUCZCINJDFQ-UHFFFAOYSA-N 0 1 391.417 0.638 20 0 GCADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820758920 607221535 /nfs/dbraw/zinc/22/15/35/607221535.db2.gz FYUDPWAPWRWJBU-DZGCQCFKSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820758920 607221536 /nfs/dbraw/zinc/22/15/36/607221536.db2.gz FYUDPWAPWRWJBU-DZGCQCFKSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820758920 607221537 /nfs/dbraw/zinc/22/15/37/607221537.db2.gz FYUDPWAPWRWJBU-DZGCQCFKSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655786 607221571 /nfs/dbraw/zinc/22/15/71/607221571.db2.gz CEAUIQBTBONEIP-ZFWWWQNUSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655786 607221572 /nfs/dbraw/zinc/22/15/72/607221572.db2.gz CEAUIQBTBONEIP-ZFWWWQNUSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655786 607221573 /nfs/dbraw/zinc/22/15/73/607221573.db2.gz CEAUIQBTBONEIP-ZFWWWQNUSA-N 0 1 381.444 0.628 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000823123226 607222317 /nfs/dbraw/zinc/22/23/17/607222317.db2.gz SVLUFEARBCWMPD-CQSZACIVSA-N 0 1 394.395 0.814 20 0 GCADMN CCc1ccc(-c2noc([C@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)cc1 ZINC000821476952 607223434 /nfs/dbraw/zinc/22/34/34/607223434.db2.gz WGVWDZSKQNUGDY-JTQLQIEISA-N 0 1 394.399 0.948 20 0 GCADMN CCc1ccc(-c2noc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n2)cc1 ZINC000821476953 607223551 /nfs/dbraw/zinc/22/35/51/607223551.db2.gz WGVWDZSKQNUGDY-SNVBAGLBSA-N 0 1 394.399 0.948 20 0 GCADMN COc1ncnc(N(C)C)c1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821920049 607223906 /nfs/dbraw/zinc/22/39/06/607223906.db2.gz LGWZZMUGAXWYLO-UHFFFAOYSA-N 0 1 376.402 0.532 20 0 GCADMN COc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccco1 ZINC000821882943 607251302 /nfs/dbraw/zinc/25/13/02/607251302.db2.gz OABLCJQZGYGTCP-HNNXBMFYSA-N 0 1 380.368 0.966 20 0 GCADMN Nc1cc(N)nc(SCCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000826395884 607814832 /nfs/dbraw/zinc/81/48/32/607814832.db2.gz XEMAURPHTPIVGO-UHFFFAOYSA-N 0 1 378.443 0.387 20 0 GCADMN CCCN(CCNC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OC(C)(C)C ZINC000825314131 607824086 /nfs/dbraw/zinc/82/40/86/607824086.db2.gz XRTJDQNUUZROED-UHFFFAOYSA-N 0 1 379.425 0.222 20 0 GCADMN O=C1NC[C@@H](CN2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)O1 ZINC000826482974 607858468 /nfs/dbraw/zinc/85/84/68/607858468.db2.gz WMSQUQIRNUIQJZ-JTQLQIEISA-N 0 1 386.372 0.345 20 0 GCADMN Cn1cc(-c2nn[nH]n2)cc1C(=O)Oc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000826358012 607876438 /nfs/dbraw/zinc/87/64/38/607876438.db2.gz ABUFGHUDGFAFCJ-LBPRGKRZSA-N 0 1 381.352 0.175 20 0 GCADMN Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000826328876 607910777 /nfs/dbraw/zinc/91/07/77/607910777.db2.gz IDYJNZDBPVNWQZ-CYBMUJFWSA-N 0 1 392.427 0.808 20 0 GCADMN CC(=O)c1[nH]c(CCN2CCN(c3ncccc3-c3nn[nH]n3)CC2)nc1C ZINC000824035209 607957940 /nfs/dbraw/zinc/95/79/40/607957940.db2.gz UGRUCCDMVSMBDZ-UHFFFAOYSA-N 0 1 381.444 0.861 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccccc2)c1-c1nnn[n-]1 ZINC000826077818 608020425 /nfs/dbraw/zinc/02/04/25/608020425.db2.gz WVQHSTNTTGQTDX-UHFFFAOYSA-N 0 1 383.416 0.110 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC000826077818 608020426 /nfs/dbraw/zinc/02/04/26/608020426.db2.gz WVQHSTNTTGQTDX-UHFFFAOYSA-N 0 1 383.416 0.110 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CSCCS2)c1-c1nnn[n-]1 ZINC000826077479 608020653 /nfs/dbraw/zinc/02/06/53/608020653.db2.gz JKUUSIVRPGOKNF-SECBINFHSA-N 0 1 382.519 0.919 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)C[C@@H]2CSCCS2)c1-c1nn[n-]n1 ZINC000826077479 608020654 /nfs/dbraw/zinc/02/06/54/608020654.db2.gz JKUUSIVRPGOKNF-SECBINFHSA-N 0 1 382.519 0.919 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(C)c2-n2cccc2)c1-c1nnn[n-]1 ZINC000826084293 608021644 /nfs/dbraw/zinc/02/16/44/608021644.db2.gz YABSMNAROUPWAD-UHFFFAOYSA-N 0 1 395.431 0.518 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(C)c2-n2cccc2)c1-c1nn[n-]n1 ZINC000826084293 608021645 /nfs/dbraw/zinc/02/16/45/608021645.db2.gz YABSMNAROUPWAD-UHFFFAOYSA-N 0 1 395.431 0.518 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2cccs2)c1-c1nnn[n-]1 ZINC000826077365 608021929 /nfs/dbraw/zinc/02/19/29/608021929.db2.gz FSRFZMKZGIMXMW-UHFFFAOYSA-N 0 1 389.445 0.172 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2cccs2)c1-c1nn[n-]n1 ZINC000826077365 608021930 /nfs/dbraw/zinc/02/19/30/608021930.db2.gz FSRFZMKZGIMXMW-UHFFFAOYSA-N 0 1 389.445 0.172 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000825933340 608034064 /nfs/dbraw/zinc/03/40/64/608034064.db2.gz BYHYFWKWJMJAHP-CQSZACIVSA-N 0 1 381.444 0.842 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000825933340 608034065 /nfs/dbraw/zinc/03/40/65/608034065.db2.gz BYHYFWKWJMJAHP-CQSZACIVSA-N 0 1 381.444 0.842 20 0 GCADMN O=C([C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000826398812 608075073 /nfs/dbraw/zinc/07/50/73/608075073.db2.gz GUYNMYLKTJBDTH-DZGCQCFKSA-N 0 1 394.443 0.755 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@@H](C)c1n[nH]c(C(C)C)n1 ZINC000826184686 608107506 /nfs/dbraw/zinc/10/75/06/608107506.db2.gz GYEYBQVBIBNLRA-VIFPVBQESA-N 0 1 399.415 0.933 20 0 GCADMN CC[C@@H](C)[C@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825058889 608193601 /nfs/dbraw/zinc/19/36/01/608193601.db2.gz BBEUPBLSFJXAFF-MFKMUULPSA-N 0 1 375.433 0.788 20 0 GCADMN C[C@H]1[C@H](C)N(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CCN1C ZINC000824860809 608202597 /nfs/dbraw/zinc/20/25/97/608202597.db2.gz XXCCOFVWZLYIEL-RYUDHWBXSA-N 0 1 381.444 0.799 20 0 GCADMN CCNS(=O)(=O)[C@H]1CCN(CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825476278 608210795 /nfs/dbraw/zinc/21/07/95/608210795.db2.gz DZBPXXWEBJHARI-HNNXBMFYSA-N 0 1 380.474 0.649 20 0 GCADMN CCNS(=O)(=O)[C@H]1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825476825 608211802 /nfs/dbraw/zinc/21/18/02/608211802.db2.gz XSNMDGWRKIFMAS-HNNXBMFYSA-N 0 1 380.474 0.649 20 0 GCADMN Cn1ccc(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000826362774 608241911 /nfs/dbraw/zinc/24/19/11/608241911.db2.gz IBYGEDZTVQEHIQ-UHFFFAOYSA-N 0 1 398.431 0.497 20 0 GCADMN C[C@H](C(N)=O)N(C)CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCCC2 ZINC000824051985 608268856 /nfs/dbraw/zinc/26/88/56/608268856.db2.gz KBOWXXTWUULIIK-SECBINFHSA-N 0 1 377.474 0.941 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000826452169 608278054 /nfs/dbraw/zinc/27/80/54/608278054.db2.gz JWEFPEYBMZNTNF-SECBINFHSA-N 0 1 386.803 0.855 20 0 GCADMN CCOC[C@H](O)CN1CCN(c2nc3c(cc2-c2nn[nH]n2)CCCC3)CC1 ZINC000825589993 608284217 /nfs/dbraw/zinc/28/42/17/608284217.db2.gz LVYFVTKURRUANO-OAHLLOKOSA-N 0 1 387.488 0.660 20 0 GCADMN CCC[C@@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CCN1CCOC ZINC000825254778 608306261 /nfs/dbraw/zinc/30/62/61/608306261.db2.gz URACLGROVQPULH-GFCCVEGCSA-N 0 1 377.453 0.565 20 0 GCADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCCN(CC(F)F)CC1 ZINC000826504417 608323209 /nfs/dbraw/zinc/32/32/09/608323209.db2.gz VNXBVUOIVUXKIN-CQSZACIVSA-N 0 1 382.415 0.879 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824412813 608331007 /nfs/dbraw/zinc/33/10/07/608331007.db2.gz GICCUNNEOQROOZ-GFCCVEGCSA-N 0 1 397.480 0.061 20 0 GCADMN CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824284317 608339967 /nfs/dbraw/zinc/33/99/67/608339967.db2.gz DLQVUCTVFKVVFU-UHFFFAOYSA-N 0 1 391.480 0.603 20 0 GCADMN CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000824284317 608339968 /nfs/dbraw/zinc/33/99/68/608339968.db2.gz DLQVUCTVFKVVFU-UHFFFAOYSA-N 0 1 391.480 0.603 20 0 GCADMN CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824284317 608339969 /nfs/dbraw/zinc/33/99/69/608339969.db2.gz DLQVUCTVFKVVFU-UHFFFAOYSA-N 0 1 391.480 0.603 20 0 GCADMN CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824284317 608339970 /nfs/dbraw/zinc/33/99/70/608339970.db2.gz DLQVUCTVFKVVFU-UHFFFAOYSA-N 0 1 391.480 0.603 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[N@H+](C)C1CC1 ZINC000824422391 608353054 /nfs/dbraw/zinc/35/30/54/608353054.db2.gz ZDSWDTANEYLGFC-JTQLQIEISA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)[N@@H+](C)C1CC1 ZINC000824422391 608353056 /nfs/dbraw/zinc/35/30/56/608353056.db2.gz ZDSWDTANEYLGFC-JTQLQIEISA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[N@H+](C)C1CC1 ZINC000824422391 608353058 /nfs/dbraw/zinc/35/30/58/608353058.db2.gz ZDSWDTANEYLGFC-JTQLQIEISA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[N@@H+](C)C1CC1 ZINC000824422391 608353060 /nfs/dbraw/zinc/35/30/60/608353060.db2.gz ZDSWDTANEYLGFC-JTQLQIEISA-N 0 1 389.464 0.356 20 0 GCADMN C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824954449 608354760 /nfs/dbraw/zinc/35/47/60/608354760.db2.gz KALAQAFATDCPEI-NSHDSACASA-N 0 1 389.464 0.215 20 0 GCADMN C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000824954449 608354761 /nfs/dbraw/zinc/35/47/61/608354761.db2.gz KALAQAFATDCPEI-NSHDSACASA-N 0 1 389.464 0.215 20 0 GCADMN CCc1nc([C@@H]2CN(C(=O)C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000825739802 608363106 /nfs/dbraw/zinc/36/31/06/608363106.db2.gz KJSHGFLNAXMKAX-LBPRGKRZSA-N 0 1 397.399 0.086 20 0 GCADMN CCc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000825740563 608363197 /nfs/dbraw/zinc/36/31/97/608363197.db2.gz VHDXEPCLAXHAOF-LBPRGKRZSA-N 0 1 397.399 0.086 20 0 GCADMN 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YJUKPOJYECKWFN-LBPRGKRZSA-N 0 1 390.496 0.478 20 0 GCADMN CCC[N@H+]1CC[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000825328916 609155179 /nfs/dbraw/zinc/15/51/79/609155179.db2.gz YJUKPOJYECKWFN-LBPRGKRZSA-N 0 1 390.496 0.478 20 0 GCADMN O=C(NCCN1CCC1)N[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826437288 609202959 /nfs/dbraw/zinc/20/29/59/609202959.db2.gz DVIHARRKAUDSTJ-HNNXBMFYSA-N 0 1 384.444 0.367 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826425640 609267635 /nfs/dbraw/zinc/26/76/35/609267635.db2.gz MFYJNVKBNYQJRD-ZDUSSCGKSA-N 0 1 382.432 0.964 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000825929586 609300720 /nfs/dbraw/zinc/30/07/20/609300720.db2.gz JECOCFZLSZGIOY-WCQYABFASA-N 0 1 388.480 0.373 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000825929586 609300722 /nfs/dbraw/zinc/30/07/22/609300722.db2.gz JECOCFZLSZGIOY-WCQYABFASA-N 0 1 388.480 0.373 20 0 GCADMN 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O=C(CC[C@H]1NC(=O)NC1=O)Nc1ccn(-c2cccc(F)c2-c2nn[nH]n2)n1 ZINC000826405469 609313555 /nfs/dbraw/zinc/31/35/55/609313555.db2.gz GWOFKRFMSNRKED-SECBINFHSA-N 0 1 399.346 0.118 20 0 GCADMN Cn1cc(CNCC(=O)N2CCOCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361066 609345491 /nfs/dbraw/zinc/34/54/91/609345491.db2.gz JVUUKEVZLIGORO-UHFFFAOYSA-N 0 1 382.428 0.216 20 0 GCADMN COC(=O)C1=C(C)O[C@H](C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826129313 609366860 /nfs/dbraw/zinc/36/68/60/609366860.db2.gz OTOAXCVQMGUPJD-JTQLQIEISA-N 0 1 376.421 0.272 20 0 GCADMN COC(=O)C1=C(C)O[C@H](C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)C1 ZINC000826129313 609366862 /nfs/dbraw/zinc/36/68/62/609366862.db2.gz OTOAXCVQMGUPJD-JTQLQIEISA-N 0 1 376.421 0.272 20 0 GCADMN COC(=O)C1=C(C)O[C@H](C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826129313 609366864 /nfs/dbraw/zinc/36/68/64/609366864.db2.gz OTOAXCVQMGUPJD-JTQLQIEISA-N 0 1 376.421 0.272 20 0 GCADMN COC(=O)C1=C(C)O[C@H](C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)C1 ZINC000826129313 609366867 /nfs/dbraw/zinc/36/68/67/609366867.db2.gz OTOAXCVQMGUPJD-JTQLQIEISA-N 0 1 376.421 0.272 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000826425593 609399410 /nfs/dbraw/zinc/39/94/10/609399410.db2.gz KNESRLPHXPMMBE-VIFPVBQESA-N 0 1 391.798 0.646 20 0 GCADMN CC[C@](NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O)(C(N)=O)C(C)C ZINC000825133865 609433683 /nfs/dbraw/zinc/43/36/83/609433683.db2.gz QTSNZWHVUICVAX-OAHLLOKOSA-N 0 1 379.446 0.709 20 0 GCADMN CC(C)NS(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824304630 609436506 /nfs/dbraw/zinc/43/65/06/609436506.db2.gz DNJOKEHVPLCIHE-UHFFFAOYSA-N 0 1 382.450 0.097 20 0 GCADMN CC(C)NS(=O)(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824304911 609436610 /nfs/dbraw/zinc/43/66/10/609436610.db2.gz JCWQLHXZIACRCF-UHFFFAOYSA-N 0 1 379.490 0.617 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000824413378 609545072 /nfs/dbraw/zinc/54/50/72/609545072.db2.gz LGEJLXQRZAXCSL-LLVKDONJSA-N 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NNCUXCJPILDJLJ-JQWIXIFHSA-N 0 1 385.432 0.781 20 0 GCADMN Cc1cc(N2CCC(CNC(=O)C3=COCCO3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571259550 945390990 /nfs/dbraw/zinc/39/09/90/945390990.db2.gz OKNLHKFMDMCBJW-UHFFFAOYSA-N 0 1 385.428 0.791 20 0 GCADMN Cc1noc(CCCN2CCC[C@@H]2CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001571260468 945415654 /nfs/dbraw/zinc/41/56/54/945415654.db2.gz UGMVKPRBKKBGHQ-CYBMUJFWSA-N 0 1 385.432 0.713 20 0 GCADMN CC[C@H]1CN(C(=O)c2ccns2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571261486 945427179 /nfs/dbraw/zinc/42/71/79/945427179.db2.gz GJVGFHPFXYLQPV-QWRGUYRKSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)CCc1cscn1 ZINC001571261569 945427714 /nfs/dbraw/zinc/42/77/14/945427714.db2.gz GOMGKDMZGVUSAO-ZYHUDNBSSA-N 0 1 385.457 0.569 20 0 GCADMN CCc1ncsc1C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571262159 945435305 /nfs/dbraw/zinc/43/53/05/945435305.db2.gz NMZDTCLEARVOPN-SNVBAGLBSA-N 0 1 385.457 0.814 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cnsn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571262351 945437477 /nfs/dbraw/zinc/43/74/77/945437477.db2.gz PULGFZYTIGXKRO-MNOVXSKESA-N 0 1 385.457 0.745 20 0 GCADMN Cc1nnsc1C(=O)N1CC[C@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571263025 945448320 /nfs/dbraw/zinc/44/83/20/945448320.db2.gz FWLMZLTWMFMVGW-ONGXEEELSA-N 0 1 385.457 0.806 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cnsn3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571263498 945459247 /nfs/dbraw/zinc/45/92/47/945459247.db2.gz RQGOFYIRXAHDJR-BXKDBHETSA-N 0 1 385.457 0.806 20 0 GCADMN O=C(CCc1cncs1)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571263628 945463143 /nfs/dbraw/zinc/46/31/43/945463143.db2.gz VIACMGSTXUFEHY-LLVKDONJSA-N 0 1 385.457 0.571 20 0 GCADMN CCN1CCOC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571264516 945485026 /nfs/dbraw/zinc/48/50/26/945485026.db2.gz QGZIQSWFFYGEBL-DLBZAZTESA-N 0 1 385.472 0.278 20 0 GCADMN Cc1cc(N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)CC(C)(C)O)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571265037 945496650 /nfs/dbraw/zinc/49/66/50/945496650.db2.gz BECTWQJEZZYIKI-MJBXVCDLSA-N 0 1 385.472 0.944 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc(Cl)cn1 ZINC001571264981 945497222 /nfs/dbraw/zinc/49/72/22/945497222.db2.gz BTBOSFUJLXFQFR-GXSJLCMTSA-N 0 1 385.819 0.842 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265082 945498875 /nfs/dbraw/zinc/49/88/75/945498875.db2.gz BTQDABMCWSXQJO-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265082 945498880 /nfs/dbraw/zinc/49/88/80/945498880.db2.gz BTQDABMCWSXQJO-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265082 945498884 /nfs/dbraw/zinc/49/88/84/945498884.db2.gz BTQDABMCWSXQJO-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265082 945498889 /nfs/dbraw/zinc/49/88/89/945498889.db2.gz BTQDABMCWSXQJO-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265070 945498997 /nfs/dbraw/zinc/49/89/97/945498997.db2.gz BNHGXICKIAUDKR-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265070 945499004 /nfs/dbraw/zinc/49/90/04/945499004.db2.gz BNHGXICKIAUDKR-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265070 945499017 /nfs/dbraw/zinc/49/90/17/945499017.db2.gz BNHGXICKIAUDKR-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265070 945499024 /nfs/dbraw/zinc/49/90/24/945499024.db2.gz BNHGXICKIAUDKR-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571265061 945499533 /nfs/dbraw/zinc/49/95/33/945499533.db2.gz BLURNNUEIAACNE-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571265061 945499540 /nfs/dbraw/zinc/49/95/40/945499540.db2.gz BLURNNUEIAACNE-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(N(C)c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571265061 945499546 /nfs/dbraw/zinc/49/95/46/945499546.db2.gz BLURNNUEIAACNE-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(N(C)c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571265061 945499551 /nfs/dbraw/zinc/49/95/51/945499551.db2.gz BLURNNUEIAACNE-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001571265191 945502417 /nfs/dbraw/zinc/50/24/17/945502417.db2.gz GPJBKEVRMBTANK-KBPBESRZSA-N 0 1 385.476 0.568 20 0 GCADMN CN(c1nccnc1-c1nn[n-]n1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001571265191 945502422 /nfs/dbraw/zinc/50/24/22/945502422.db2.gz GPJBKEVRMBTANK-KBPBESRZSA-N 0 1 385.476 0.568 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)CC[N@H+]1C ZINC001571265277 945504646 /nfs/dbraw/zinc/50/46/46/945504646.db2.gz FTHRIUDGQRBDQJ-HZSPNIEDSA-N 0 1 385.476 0.069 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC[N@@H+]1C ZINC001571265277 945504654 /nfs/dbraw/zinc/50/46/54/945504654.db2.gz FTHRIUDGQRBDQJ-HZSPNIEDSA-N 0 1 385.476 0.069 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571265277 945504662 /nfs/dbraw/zinc/50/46/62/945504662.db2.gz FTHRIUDGQRBDQJ-HZSPNIEDSA-N 0 1 385.476 0.069 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001571265267 945504951 /nfs/dbraw/zinc/50/49/51/945504951.db2.gz FCDSYDLGWLWCQK-UHFFFAOYSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001571265267 945504958 /nfs/dbraw/zinc/50/49/58/945504958.db2.gz FCDSYDLGWLWCQK-UHFFFAOYSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571265377 945508784 /nfs/dbraw/zinc/50/87/84/945508784.db2.gz ISTKLNQDXDEQDG-SWLSCSKDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571265377 945508789 /nfs/dbraw/zinc/50/87/89/945508789.db2.gz ISTKLNQDXDEQDG-SWLSCSKDSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265514 945510664 /nfs/dbraw/zinc/51/06/64/945510664.db2.gz HNWPFTOSAQKHGC-KGLIPLIRSA-N 0 1 385.476 0.354 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccncc2Cl)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571265511 945511150 /nfs/dbraw/zinc/51/11/50/945511150.db2.gz LBYFAHDCPZWJKG-SKDRFNHKSA-N 0 1 385.819 0.700 20 0 GCADMN C[C@H]1CN(C(=O)c2ccncc2Cl)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571265507 945512050 /nfs/dbraw/zinc/51/20/50/945512050.db2.gz LBYFAHDCPZWJKG-CABZTGNLSA-N 0 1 385.819 0.700 20 0 GCADMN CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265582 945514224 /nfs/dbraw/zinc/51/42/24/945514224.db2.gz ISEXDFDWMNVZFQ-IYXRBSQSSA-N 0 1 385.476 0.212 20 0 GCADMN CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265582 945514235 /nfs/dbraw/zinc/51/42/35/945514235.db2.gz ISEXDFDWMNVZFQ-IYXRBSQSSA-N 0 1 385.476 0.212 20 0 GCADMN CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265582 945514244 /nfs/dbraw/zinc/51/42/44/945514244.db2.gz ISEXDFDWMNVZFQ-IYXRBSQSSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265657 945517183 /nfs/dbraw/zinc/51/71/83/945517183.db2.gz ODZBOWBUTLNKSJ-CRWXNKLISA-N 0 1 385.476 0.470 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001571265657 945517186 /nfs/dbraw/zinc/51/71/86/945517186.db2.gz ODZBOWBUTLNKSJ-CRWXNKLISA-N 0 1 385.476 0.470 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571265657 945517194 /nfs/dbraw/zinc/51/71/94/945517194.db2.gz ODZBOWBUTLNKSJ-CRWXNKLISA-N 0 1 385.476 0.470 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571265657 945517195 /nfs/dbraw/zinc/51/71/95/945517195.db2.gz ODZBOWBUTLNKSJ-CRWXNKLISA-N 0 1 385.476 0.470 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571265728 945517645 /nfs/dbraw/zinc/51/76/45/945517645.db2.gz JFGARFRQSFBAMO-AWEZNQCLSA-N 0 1 385.476 0.472 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265723 945518206 /nfs/dbraw/zinc/51/82/06/945518206.db2.gz JBHMZGFNKBDAFZ-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265723 945518213 /nfs/dbraw/zinc/51/82/13/945518213.db2.gz JBHMZGFNKBDAFZ-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265723 945518215 /nfs/dbraw/zinc/51/82/15/945518215.db2.gz JBHMZGFNKBDAFZ-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265723 945518223 /nfs/dbraw/zinc/51/82/23/945518223.db2.gz JBHMZGFNKBDAFZ-ZIAGYGMSSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571265729 945518584 /nfs/dbraw/zinc/51/85/84/945518584.db2.gz JFGARFRQSFBAMO-CQSZACIVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001571265859 945524075 /nfs/dbraw/zinc/52/40/75/945524075.db2.gz QRZAIPXOXZCJCG-BXKDBHETSA-N 0 1 385.819 0.842 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001571265860 945524889 /nfs/dbraw/zinc/52/48/89/945524889.db2.gz QRZAIPXOXZCJCG-CABZTGNLSA-N 0 1 385.819 0.842 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265926 945527587 /nfs/dbraw/zinc/52/75/87/945527587.db2.gz LAZCLFRNEQKWBD-HNNXBMFYSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265926 945527598 /nfs/dbraw/zinc/52/75/98/945527598.db2.gz LAZCLFRNEQKWBD-HNNXBMFYSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265926 945527604 /nfs/dbraw/zinc/52/76/04/945527604.db2.gz LAZCLFRNEQKWBD-HNNXBMFYSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265926 945527616 /nfs/dbraw/zinc/52/76/16/945527616.db2.gz LAZCLFRNEQKWBD-HNNXBMFYSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001571266010 945528367 /nfs/dbraw/zinc/52/83/67/945528367.db2.gz MTTRJZFDXSMNEJ-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001571266035 945528838 /nfs/dbraw/zinc/52/88/38/945528838.db2.gz UGXRTJSDXVMUKV-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(CC(=O)N[C@@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571266035 945528845 /nfs/dbraw/zinc/52/88/45/945528845.db2.gz UGXRTJSDXVMUKV-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC001571266072 945529308 /nfs/dbraw/zinc/52/93/08/945529308.db2.gz VMPXBPMGQPOKJA-TZMCWYRMSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001571266072 945529316 /nfs/dbraw/zinc/52/93/16/945529316.db2.gz VMPXBPMGQPOKJA-TZMCWYRMSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC001571266072 945529326 /nfs/dbraw/zinc/52/93/26/945529326.db2.gz VMPXBPMGQPOKJA-TZMCWYRMSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001571266072 945529331 /nfs/dbraw/zinc/52/93/31/945529331.db2.gz VMPXBPMGQPOKJA-TZMCWYRMSA-N 0 1 385.476 0.248 20 0 GCADMN C[N@H+](CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001571266155 945530924 /nfs/dbraw/zinc/53/09/24/945530924.db2.gz MZPVYJKKMULROT-AWEZNQCLSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+](CC(=O)N1CCCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)C1CCC1 ZINC001571266155 945530930 /nfs/dbraw/zinc/53/09/30/945530930.db2.gz MZPVYJKKMULROT-AWEZNQCLSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CC[N@@H+]1C ZINC001571266085 945531012 /nfs/dbraw/zinc/53/10/12/945531012.db2.gz VUSOGVCQGWTFFQ-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nnn[n-]3)nn2)CC[N@H+]1C ZINC001571266085 945531027 /nfs/dbraw/zinc/53/10/27/945531027.db2.gz VUSOGVCQGWTFFQ-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CC[N@@H+]1C ZINC001571266085 945531031 /nfs/dbraw/zinc/53/10/31/945531031.db2.gz VUSOGVCQGWTFFQ-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCN2c2ccc(-c3nn[n-]n3)nn2)CC[N@H+]1C ZINC001571266085 945531041 /nfs/dbraw/zinc/53/10/41/945531041.db2.gz VUSOGVCQGWTFFQ-HZSPNIEDSA-N 0 1 385.476 0.472 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266153 945531183 /nfs/dbraw/zinc/53/11/83/945531183.db2.gz MXQZLRWLIAMVJL-STQMWFEESA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266153 945531194 /nfs/dbraw/zinc/53/11/94/945531194.db2.gz MXQZLRWLIAMVJL-STQMWFEESA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266153 945531201 /nfs/dbraw/zinc/53/12/01/945531201.db2.gz MXQZLRWLIAMVJL-STQMWFEESA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266153 945531215 /nfs/dbraw/zinc/53/12/15/945531215.db2.gz MXQZLRWLIAMVJL-STQMWFEESA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266149 945531897 /nfs/dbraw/zinc/53/18/97/945531897.db2.gz MXQZLRWLIAMVJL-OLZOCXBDSA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nnn[n-]2)cc(N2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266149 945531905 /nfs/dbraw/zinc/53/19/05/945531905.db2.gz MXQZLRWLIAMVJL-OLZOCXBDSA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266149 945531910 /nfs/dbraw/zinc/53/19/10/945531910.db2.gz MXQZLRWLIAMVJL-OLZOCXBDSA-N 0 1 385.476 0.256 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266149 945531916 /nfs/dbraw/zinc/53/19/16/945531916.db2.gz MXQZLRWLIAMVJL-OLZOCXBDSA-N 0 1 385.476 0.256 20 0 GCADMN C[NH+]1CCC(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C(C)(C)C2)CC1 ZINC001571266206 945532939 /nfs/dbraw/zinc/53/29/39/945532939.db2.gz NPTZIDLCRONKGL-CYBMUJFWSA-N 0 1 385.476 0.069 20 0 GCADMN C[N@H+](CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C1CCC1 ZINC001571266196 945533360 /nfs/dbraw/zinc/53/33/60/945533360.db2.gz NJXYHRIHJRYLIJ-AWEZNQCLSA-N 0 1 385.476 0.790 20 0 GCADMN C[N@@H+](CC(=O)N1C[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C1)C1CCC1 ZINC001571266196 945533362 /nfs/dbraw/zinc/53/33/62/945533362.db2.gz NJXYHRIHJRYLIJ-AWEZNQCLSA-N 0 1 385.476 0.790 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266290 945536673 /nfs/dbraw/zinc/53/66/73/945536673.db2.gz YXQCOZGMSZVXLP-UONOGXRCSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266290 945536682 /nfs/dbraw/zinc/53/66/82/945536682.db2.gz YXQCOZGMSZVXLP-UONOGXRCSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266290 945536691 /nfs/dbraw/zinc/53/66/91/945536691.db2.gz YXQCOZGMSZVXLP-UONOGXRCSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266290 945536705 /nfs/dbraw/zinc/53/67/05/945536705.db2.gz YXQCOZGMSZVXLP-UONOGXRCSA-N 0 1 385.476 0.567 20 0 GCADMN CC(C)[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)[NH+](C)C ZINC001571266410 945541967 /nfs/dbraw/zinc/54/19/67/945541967.db2.gz QEQSKJGEXFMFGW-ZENOOKHLSA-N 0 1 385.476 0.423 20 0 GCADMN CCC1(Nc2ccnc(-c3nnn[n-]3)n2)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001571266463 945543112 /nfs/dbraw/zinc/54/31/12/945543112.db2.gz RDKPQQSSACNBML-CYBMUJFWSA-N 0 1 385.476 0.213 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001571266463 945543119 /nfs/dbraw/zinc/54/31/19/945543119.db2.gz RDKPQQSSACNBML-CYBMUJFWSA-N 0 1 385.476 0.213 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[n-]n3)n2)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001571266463 945543125 /nfs/dbraw/zinc/54/31/25/945543125.db2.gz RDKPQQSSACNBML-CYBMUJFWSA-N 0 1 385.476 0.213 20 0 GCADMN CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1cnc(-c2nn[n-]n2)cn1)[NH+](C)C ZINC001571266502 945544805 /nfs/dbraw/zinc/54/48/05/945544805.db2.gz SDKRNSFHZRRXOR-GUTXKFCHSA-N 0 1 385.476 0.567 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266580 945546708 /nfs/dbraw/zinc/54/67/08/945546708.db2.gz ULEPPGDRYKULGI-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266580 945546715 /nfs/dbraw/zinc/54/67/15/945546715.db2.gz ULEPPGDRYKULGI-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266580 945546724 /nfs/dbraw/zinc/54/67/24/945546724.db2.gz ULEPPGDRYKULGI-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266580 945546726 /nfs/dbraw/zinc/54/67/26/945546726.db2.gz ULEPPGDRYKULGI-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266608 945546926 /nfs/dbraw/zinc/54/69/26/945546926.db2.gz VGLWPFUQKQAIJA-MQYQWHSLSA-N 0 1 385.476 0.258 20 0 GCADMN C[NH+]1CCC(C(=O)NC[C@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571266602 945546958 /nfs/dbraw/zinc/54/69/58/945546958.db2.gz VFFGPGKACWBJIT-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266600 945546999 /nfs/dbraw/zinc/54/69/99/945546999.db2.gz VETARTOKAKFEPU-UKRRQHHQSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266600 945547004 /nfs/dbraw/zinc/54/70/04/945547004.db2.gz VETARTOKAKFEPU-UKRRQHHQSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)[NH+]1CCCCC1 ZINC001571266604 945547388 /nfs/dbraw/zinc/54/73/88/945547388.db2.gz VGIPMUZRLVEPCT-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266609 945547422 /nfs/dbraw/zinc/54/74/22/945547422.db2.gz VGLWPFUQKQAIJA-YIYPIFLZSA-N 0 1 385.476 0.258 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571266672 945549386 /nfs/dbraw/zinc/54/93/86/945549386.db2.gz WLFYIAJKLLASKH-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266672 945549393 /nfs/dbraw/zinc/54/93/93/945549393.db2.gz WLFYIAJKLLASKH-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266672 945549400 /nfs/dbraw/zinc/54/94/00/945549400.db2.gz WLFYIAJKLLASKH-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@H]2C[C@H](CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001571266761 945552676 /nfs/dbraw/zinc/55/26/76/945552676.db2.gz YRXKIHXDESQBIN-HDJSIYSDSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571266812 945554475 /nfs/dbraw/zinc/55/44/75/945554475.db2.gz ZPDZNROPEIBPSG-CHWSQXEVSA-N 0 1 385.476 0.790 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266817 945555152 /nfs/dbraw/zinc/55/51/52/945555152.db2.gz ZPFNQLFDQILLCS-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266817 945555159 /nfs/dbraw/zinc/55/51/59/945555159.db2.gz ZPFNQLFDQILLCS-ZDUSSCGKSA-N 0 1 385.476 0.426 20 0 GCADMN O=C(CC(F)(F)F)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571267468 945571301 /nfs/dbraw/zinc/57/13/01/945571301.db2.gz VZIZFLICOIJJOR-SECBINFHSA-N 0 1 386.338 0.060 20 0 GCADMN O=C(Cc1c(F)cccc1F)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571267598 945572635 /nfs/dbraw/zinc/57/26/35/945572635.db2.gz ZLQWLNMJJBSDCQ-JTQLQIEISA-N 0 1 386.366 0.612 20 0 GCADMN C[C@H]1CCCN(C(=O)c2n[nH]cc2F)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571267828 945579091 /nfs/dbraw/zinc/57/90/91/945579091.db2.gz GDTUOYYETFYDHU-GXSJLCMTSA-N 0 1 386.395 0.294 20 0 GCADMN Cc1cc(N2CCC(CNC(=O)[C@H]3COC(=O)N3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571268146 945588452 /nfs/dbraw/zinc/58/84/52/945588452.db2.gz BHTUHPYNTBOUQX-CYBMUJFWSA-N 0 1 386.416 0.011 20 0 GCADMN CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571268164 945589473 /nfs/dbraw/zinc/58/94/73/945589473.db2.gz BNXFAEMUWOKDSI-WDTWZTHCSA-N 0 1 386.431 0.977 20 0 GCADMN CC[C@@H](O)CN1CCN([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820932962 945590699 /nfs/dbraw/zinc/59/06/99/945590699.db2.gz RPZYEADLPWSJQU-OCCSQVGLSA-N 0 1 391.501 0.422 20 0 GCADMN COc1cc(CNC[C@H]2CCCCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)on1 ZINC001571268919 945608448 /nfs/dbraw/zinc/60/84/48/945608448.db2.gz ZOLPNSFXYXHIBT-GFCCVEGCSA-N 0 1 386.416 0.976 20 0 GCADMN C[C@@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C[C@H]1NC(=O)[C@]12C[C@H]1COC2 ZINC001571269393 945619149 /nfs/dbraw/zinc/61/91/49/945619149.db2.gz XJBURHXHEOUJQF-UIJSSTANSA-N 0 1 386.431 0.979 20 0 GCADMN Cc1cc(N2CCOC[C@@H]2CNC(=O)c2ccsn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571269647 945623451 /nfs/dbraw/zinc/62/34/51/945623451.db2.gz BNTVSCSSMLBFKM-NSHDSACASA-N 0 1 386.441 0.662 20 0 GCADMN O=C(c1csnn1)N1CCCC[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001571269821 945625181 /nfs/dbraw/zinc/62/51/81/945625181.db2.gz DKCUYURXQPPKPW-SNVBAGLBSA-N 0 1 386.445 0.427 20 0 GCADMN COCc1sccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571269882 945627889 /nfs/dbraw/zinc/62/78/89/945627889.db2.gz GIBWVYLFJRROPE-SNVBAGLBSA-N 0 1 386.441 0.613 20 0 GCADMN Cc1nnsc1C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571270032 945629901 /nfs/dbraw/zinc/62/99/01/945629901.db2.gz LBGRRURXELBYRW-OAHLLOKOSA-N 0 1 386.445 0.203 20 0 GCADMN O=C(N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1)c1cn[nH]c(=O)c1 ZINC001571270092 945630867 /nfs/dbraw/zinc/63/08/67/945630867.db2.gz MWLOPUGJEZPSBH-LLVKDONJSA-N 0 1 386.441 0.818 20 0 GCADMN COCc1ncc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)s1 ZINC001571270240 945632912 /nfs/dbraw/zinc/63/29/12/945632912.db2.gz OANBPIYKWUTEPV-SNVBAGLBSA-N 0 1 386.441 0.613 20 0 GCADMN C[C@@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571270244 945633053 /nfs/dbraw/zinc/63/30/53/945633053.db2.gz OCBZNELZRNBMAL-NXEZZACHSA-N 0 1 386.445 0.140 20 0 GCADMN O=C(COc1ccsc1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571270350 945634880 /nfs/dbraw/zinc/63/48/80/945634880.db2.gz QWYZYPSBMBSWFV-NSHDSACASA-N 0 1 386.441 0.622 20 0 GCADMN CCc1nnsc1C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571270376 945634936 /nfs/dbraw/zinc/63/49/36/945634936.db2.gz RTFNRLJTJLUCNH-UHFFFAOYSA-N 0 1 386.445 0.209 20 0 GCADMN Cn1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)ccc1=O ZINC001571270640 945641140 /nfs/dbraw/zinc/64/11/40/945641140.db2.gz XKJLOHGRJGFXLF-JTQLQIEISA-N 0 1 386.441 0.026 20 0 GCADMN Cn1nc(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)ccc1=O ZINC001571270640 945641150 /nfs/dbraw/zinc/64/11/50/945641150.db2.gz XKJLOHGRJGFXLF-JTQLQIEISA-N 0 1 386.441 0.026 20 0 GCADMN CCN(C)S(=O)(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821165166 945646650 /nfs/dbraw/zinc/64/66/50/945646650.db2.gz PZIUPNDQOYJZAB-UHFFFAOYSA-N 0 1 379.490 0.571 20 0 GCADMN CN(C[C@@H]1CCCN1C(=O)C1(C)CCOCC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571272168 945655409 /nfs/dbraw/zinc/65/54/09/945655409.db2.gz ABEDBIIWXWVVIK-ZDUSSCGKSA-N 0 1 386.460 0.901 20 0 GCADMN CN1CCC[C@@H]1C(=O)N1CCCO[C@H](CNc2ccc(-c3nn[nH]n3)nc2)C1 ZINC001571272205 945657759 /nfs/dbraw/zinc/65/77/59/945657759.db2.gz BANLIVTYGZSDKU-GDBMZVCRSA-N 0 1 386.460 0.385 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1CC(=O)N(C)C1CC1 ZINC001571272664 945666936 /nfs/dbraw/zinc/66/69/36/945666936.db2.gz HEHZXARXPLIMIX-DZGCQCFKSA-N 0 1 386.460 0.398 20 0 GCADMN O=C(C1CCCCC1)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571272934 945675436 /nfs/dbraw/zinc/67/54/36/945675436.db2.gz LATWJOXXQXVVFV-UHFFFAOYSA-N 0 1 386.460 0.424 20 0 GCADMN CO[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571273003 945676976 /nfs/dbraw/zinc/67/69/76/945676976.db2.gz MUUUWOIBHHVKIX-AAVRWANBSA-N 0 1 386.460 0.591 20 0 GCADMN CN(C[C@H]1CCN1CCCN1CCCC1=O)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571273018 945677381 /nfs/dbraw/zinc/67/73/81/945677381.db2.gz NDAHRYBMFLYKNE-CYBMUJFWSA-N 0 1 386.460 0.354 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)[C@]2(C)CCCOC2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571273201 945681401 /nfs/dbraw/zinc/68/14/01/945681401.db2.gz SLYVZXBUXKSGRC-SCLBCKFNSA-N 0 1 386.460 0.758 20 0 GCADMN CN1CCCC[C@H]1C(=O)NC1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001571273350 945685636 /nfs/dbraw/zinc/68/56/36/945685636.db2.gz VWYMHOAUWRYNIF-HNNXBMFYSA-N 0 1 386.460 0.400 20 0 GCADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(C(F)F)nc1 ZINC001571274833 945701232 /nfs/dbraw/zinc/70/12/32/945701232.db2.gz LSJIJJVIYXTYGQ-SNVBAGLBSA-N 0 1 387.354 0.998 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@](C)(NC(=O)[C@H]2CCOC2)C1 ZINC001571275680 945712440 /nfs/dbraw/zinc/71/24/40/945712440.db2.gz APVLAHCHLVCMFM-IFXJQAMLSA-N 0 1 386.456 0.992 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C)CCOCC2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571275757 945713622 /nfs/dbraw/zinc/71/36/22/945713622.db2.gz BXHRHHRKSUBENZ-OLZOCXBDSA-N 0 1 386.460 0.402 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)C2CCOCC2)C1 ZINC001571275729 945713943 /nfs/dbraw/zinc/71/39/43/945713943.db2.gz BNEPFNGUSSRVDJ-GXTWGEPZSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)COC1CCCCC1 ZINC001571275723 945714151 /nfs/dbraw/zinc/71/41/51/945714151.db2.gz BJBQWKYOQPZEJZ-OLZOCXBDSA-N 0 1 386.460 0.829 20 0 GCADMN CO[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C[C@@H]1CCCO1 ZINC001571275784 945715567 /nfs/dbraw/zinc/71/55/67/945715567.db2.gz CFAIOGNBKYESHK-GVDBMIGSSA-N 0 1 386.456 0.751 20 0 GCADMN C[C@@H]1COCC[C@@H]1C(=O)N1CCC(N(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571275812 945716222 /nfs/dbraw/zinc/71/62/22/945716222.db2.gz CYBBAMHGLKYRDX-OCCSQVGLSA-N 0 1 386.460 0.757 20 0 GCADMN CC(C)(C)C(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001571275937 945720677 /nfs/dbraw/zinc/72/06/77/945720677.db2.gz FYRQBFCFMHYBDS-UHFFFAOYSA-N 0 1 386.460 0.901 20 0 GCADMN CCC1(C(=O)N2CCC[C@@H](N(CCO)c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571277574 945742105 /nfs/dbraw/zinc/74/21/05/945742105.db2.gz LUICKIGRNZBSBQ-CYBMUJFWSA-N 0 1 386.460 0.637 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[nH]n4)n3)C2)CCCOC1 ZINC001571277515 945743608 /nfs/dbraw/zinc/74/36/08/945743608.db2.gz LFDBXCXCNRRLMQ-FZKQIMNGSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@@H]1CCCN(CC(=O)N2CCC2)C1 ZINC001571278935 945764621 /nfs/dbraw/zinc/76/46/21/945764621.db2.gz RMIIFHYSPQOGFE-QWHCGFSZSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@](O)(CC(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001571279001 945767214 /nfs/dbraw/zinc/76/72/14/945767214.db2.gz ULLFQSONTMGYHM-ACJLOTCBSA-N 0 1 386.460 0.423 20 0 GCADMN CC1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CCCCC1 ZINC001571278975 945767749 /nfs/dbraw/zinc/76/77/49/945767749.db2.gz TXNUFZYHDHCUJQ-STQMWFEESA-N 0 1 386.460 0.683 20 0 GCADMN COc1cc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)sn1 ZINC001571279135 945770938 /nfs/dbraw/zinc/77/09/38/945770938.db2.gz JJFQXVPKONVTON-UHFFFAOYSA-N 0 1 387.429 0.164 20 0 GCADMN COc1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)sn1 ZINC001571279193 945771551 /nfs/dbraw/zinc/77/15/51/945771551.db2.gz KUSKSZULWJYPTD-RKDXNWHRSA-N 0 1 387.429 0.377 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2CCOCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571279344 945775053 /nfs/dbraw/zinc/77/50/53/945775053.db2.gz VHZQVPGYXVCIHE-OCCSQVGLSA-N 0 1 386.460 0.544 20 0 GCADMN O=C(c1csc(=O)[nH]1)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571279416 945777429 /nfs/dbraw/zinc/77/74/29/945777429.db2.gz ODPLDMYYSKGBBH-VIFPVBQESA-N 0 1 387.429 0.348 20 0 GCADMN CO[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1NC(=O)c1cnns1 ZINC001571279456 945779544 /nfs/dbraw/zinc/77/95/44/945779544.db2.gz PDOIHTBRSPFROK-ZYHUDNBSSA-N 0 1 387.429 0.055 20 0 GCADMN CO[C@H](C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571279533 945780166 /nfs/dbraw/zinc/78/01/66/945780166.db2.gz RHRBITSKFXKXIC-BBRMVZONSA-N 0 1 387.444 0.138 20 0 GCADMN COC(=O)CCCN(Cc1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821660403 945783553 /nfs/dbraw/zinc/78/35/53/945783553.db2.gz PTRWRXWOULTOOC-UHFFFAOYSA-N 0 1 384.400 0.440 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N(C)Cc2nnc3n2CCC3)cc1-c1nn[nH]n1 ZINC001571279742 945785853 /nfs/dbraw/zinc/78/58/53/945785853.db2.gz UOPPERSDVCXIOK-UHFFFAOYSA-N 0 1 387.429 0.499 20 0 GCADMN CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCO1 ZINC001571279969 945792325 /nfs/dbraw/zinc/79/23/25/945792325.db2.gz YNNPZAFBJWMKMJ-IGQOVBAYSA-N 0 1 386.460 0.589 20 0 GCADMN CCn1nncc1C(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571281162 945797462 /nfs/dbraw/zinc/79/74/62/945797462.db2.gz DRPNALBXGXASGB-UHFFFAOYSA-N 0 1 387.473 0.934 20 0 GCADMN CCn1nncc1C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571281211 945800461 /nfs/dbraw/zinc/80/04/61/945800461.db2.gz FLRRAFKTZGSPPY-NSHDSACASA-N 0 1 387.473 0.886 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573447459 945800864 /nfs/dbraw/zinc/80/08/64/945800864.db2.gz YXGIDFBCTLNQNI-SMDDNHRTSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573447459 945800875 /nfs/dbraw/zinc/80/08/75/945800875.db2.gz YXGIDFBCTLNQNI-SMDDNHRTSA-N 0 1 391.501 0.781 20 0 GCADMN Cc1nnc(CNC[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C[C@H]2C)s1 ZINC001571281277 945801878 /nfs/dbraw/zinc/80/18/78/945801878.db2.gz GGMGBSKLYRYCDC-MWLCHTKSSA-N 0 1 387.473 0.853 20 0 GCADMN CCn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)n1 ZINC001571281357 945803266 /nfs/dbraw/zinc/80/32/66/945803266.db2.gz GYFCGTCRXMBWRO-LLVKDONJSA-N 0 1 387.473 0.792 20 0 GCADMN CCn1ncc(C(=O)N2CC[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)n1 ZINC001571281357 945803277 /nfs/dbraw/zinc/80/32/77/945803277.db2.gz GYFCGTCRXMBWRO-LLVKDONJSA-N 0 1 387.473 0.792 20 0 GCADMN O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571281639 945808769 /nfs/dbraw/zinc/80/87/69/945808769.db2.gz KMOCHCRTZQQLOW-APAOZMKASA-N 0 1 387.469 0.001 20 0 GCADMN O=C(C[C@@H]1CCNC1=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001571281639 945808777 /nfs/dbraw/zinc/80/87/77/945808777.db2.gz KMOCHCRTZQQLOW-APAOZMKASA-N 0 1 387.469 0.001 20 0 GCADMN Cc1cc(NC[C@H]2CCCCN2C(=O)[C@H]2COCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571281810 945816944 /nfs/dbraw/zinc/81/69/44/945816944.db2.gz AHONWNROCJFSJW-CZUORRHYSA-N 0 1 387.444 0.200 20 0 GCADMN Cc1cc(N2CCC(NC(=O)CC3OCCCO3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571282034 945823549 /nfs/dbraw/zinc/82/35/49/945823549.db2.gz CJSAURMNNIIRGE-UHFFFAOYSA-N 0 1 387.444 0.808 20 0 GCADMN Cn1ncc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001571282007 945824159 /nfs/dbraw/zinc/82/41/59/945824159.db2.gz QZRZMMKCOONEQU-NSHDSACASA-N 0 1 387.473 0.841 20 0 GCADMN Cn1ncc(C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001571282007 945824166 /nfs/dbraw/zinc/82/41/66/945824166.db2.gz QZRZMMKCOONEQU-NSHDSACASA-N 0 1 387.473 0.841 20 0 GCADMN C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571282167 945829584 /nfs/dbraw/zinc/82/95/84/945829584.db2.gz SXSUUMARSRUWPV-PWSUYJOCSA-N 0 1 387.473 0.697 20 0 GCADMN C[C@@H]1CN(C(=O)c2cnnn2C)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282167 945829597 /nfs/dbraw/zinc/82/95/97/945829597.db2.gz SXSUUMARSRUWPV-PWSUYJOCSA-N 0 1 387.473 0.697 20 0 GCADMN CCn1nncc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)[C@@H]1C ZINC001571282181 945830740 /nfs/dbraw/zinc/83/07/40/945830740.db2.gz TVNRTFJHVRSOSJ-PWSUYJOCSA-N 0 1 387.473 0.932 20 0 GCADMN Cc1c(C(=O)N(C)[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)nnn1C ZINC001571282187 945831598 /nfs/dbraw/zinc/83/15/98/945831598.db2.gz TXMADSNLDYYYJO-NSHDSACASA-N 0 1 387.473 0.712 20 0 GCADMN Cn1cnc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)n1 ZINC001571282212 945835407 /nfs/dbraw/zinc/83/54/07/945835407.db2.gz UXBDVVCVTJQIOK-LLVKDONJSA-N 0 1 387.473 0.841 20 0 GCADMN Cn1cnc(C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)n1 ZINC001571282212 945835412 /nfs/dbraw/zinc/83/54/12/945835412.db2.gz UXBDVVCVTJQIOK-LLVKDONJSA-N 0 1 387.473 0.841 20 0 GCADMN CC(=O)N[C@@H](C(=O)N(C)CCNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573452659 945853946 /nfs/dbraw/zinc/85/39/46/945853946.db2.gz GSPAIYORDNMJMD-MRXNPFEDSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@@H](C)CNc1ccncc1-c1nn[nH]n1)C1CCCC1 ZINC001573453205 945856292 /nfs/dbraw/zinc/85/62/92/945856292.db2.gz JILMVBWLPVYABU-MEDUHNTESA-N 0 1 386.460 0.295 20 0 GCADMN CC(=O)N[C@](C)(C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(C)C ZINC001573453817 945869512 /nfs/dbraw/zinc/86/95/12/945869512.db2.gz QWZUVQFVBWQMFD-ACJLOTCBSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)C(C)C ZINC001573453818 945870133 /nfs/dbraw/zinc/87/01/33/945870133.db2.gz QWZUVQFVBWQMFD-FZKQIMNGSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573455262 945880021 /nfs/dbraw/zinc/88/00/21/945880021.db2.gz AZQOHJAUAVMSOH-UHFFFAOYSA-N 0 1 386.869 0.762 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)N[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573455539 945882097 /nfs/dbraw/zinc/88/20/97/945882097.db2.gz DSHDMGJVXZEYLU-KZULUSFZSA-N 0 1 388.476 0.459 20 0 GCADMN COC(=O)[C@@]1(CNC(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCOC1 ZINC001571283910 945892144 /nfs/dbraw/zinc/89/21/44/945892144.db2.gz KSBWWFZZEAKBCY-GFCCVEGCSA-N 0 1 387.809 0.678 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1 ZINC001573456574 945893751 /nfs/dbraw/zinc/89/37/51/945893751.db2.gz MAVHUXDOFJYXFL-UHFFFAOYSA-N 0 1 388.476 0.495 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)NCCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573456637 945897242 /nfs/dbraw/zinc/89/72/42/945897242.db2.gz NUTPXDDQBTWIEB-GOSISDBHSA-N 0 1 388.476 0.673 20 0 GCADMN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nnn[n-]2)C1)[NH+](C)C ZINC001571284372 945899506 /nfs/dbraw/zinc/89/95/06/945899506.db2.gz OUUFGEIKUZEAAE-MCIONIFRSA-N 0 1 387.492 0.893 20 0 GCADMN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2nccnc2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571284372 945899508 /nfs/dbraw/zinc/89/95/08/945899508.db2.gz OUUFGEIKUZEAAE-MCIONIFRSA-N 0 1 387.492 0.893 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@@H](C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001573457585 945908607 /nfs/dbraw/zinc/90/86/07/945908607.db2.gz XPKASHOZQCMCJL-LLVKDONJSA-N 0 1 391.451 0.857 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573459603 945912719 /nfs/dbraw/zinc/91/27/19/945912719.db2.gz HBXIRHGIPVGIMK-CQSZACIVSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001573460062 945915772 /nfs/dbraw/zinc/91/57/72/945915772.db2.gz IJUFDXDRNBROAT-SMDDNHRTSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573461618 945923039 /nfs/dbraw/zinc/92/30/39/945923039.db2.gz QKCYEOOMVXTVTN-CQSZACIVSA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1C[C@@H]2C[C@H]1CN2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573461871 945925471 /nfs/dbraw/zinc/92/54/71/945925471.db2.gz SEIWNWMOTFGOJQ-STQMWFEESA-N 0 1 384.444 0.274 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573462012 945927332 /nfs/dbraw/zinc/92/73/32/945927332.db2.gz VUFTYWADRBFHFN-SNVBAGLBSA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573462060 945929535 /nfs/dbraw/zinc/92/95/35/945929535.db2.gz XPKSWUOWAGOFNG-CYBMUJFWSA-N 0 1 386.460 0.391 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H](Nc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573462748 945945015 /nfs/dbraw/zinc/94/50/15/945945015.db2.gz MTFVXQLAQFYLKT-HNNXBMFYSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001573463545 945958461 /nfs/dbraw/zinc/95/84/61/945958461.db2.gz YJRQMQAXXOXJDF-ZYHUDNBSSA-N 0 1 387.448 0.045 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573463726 945961110 /nfs/dbraw/zinc/96/11/10/945961110.db2.gz ZYUYNBBMBXGKMC-ZDUSSCGKSA-N 0 1 386.460 0.652 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573464514 945965986 /nfs/dbraw/zinc/96/59/86/945965986.db2.gz LNPMGPMMDVFPOZ-HAQNSBGRSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573464514 945965990 /nfs/dbraw/zinc/96/59/90/945965990.db2.gz LNPMGPMMDVFPOZ-HAQNSBGRSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573464297 945966672 /nfs/dbraw/zinc/96/66/72/945966672.db2.gz KFKNHZILYQZYPC-SNVBAGLBSA-N 0 1 377.424 0.515 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NCC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573464577 945968062 /nfs/dbraw/zinc/96/80/62/945968062.db2.gz NJNQLYZKLMZFRD-CQSZACIVSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573464879 945969728 /nfs/dbraw/zinc/96/97/28/945969728.db2.gz QXDJMARIGGIJDN-INIZCTEOSA-N 0 1 385.472 0.862 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573465227 945972472 /nfs/dbraw/zinc/97/24/72/945972472.db2.gz WARPNOFFSCEUAW-JOCQHMNTSA-N 0 1 386.460 0.213 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573468367 945992719 /nfs/dbraw/zinc/99/27/19/945992719.db2.gz NGPLIEQJXUZWHZ-BXUZGUMPSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@H](NCc1nccs1)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571289798 946017302 /nfs/dbraw/zinc/01/73/02/946017302.db2.gz MTDBHZORLDUDIJ-GXFFZTMASA-N 0 1 388.457 0.671 20 0 GCADMN Cc1nnc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)o1 ZINC001571289776 946017677 /nfs/dbraw/zinc/01/76/77/946017677.db2.gz MEPCNGULQONTAB-XYPYZODXSA-N 0 1 388.457 0.847 20 0 GCADMN Cc1nnc(CC(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)o1 ZINC001571289776 946017685 /nfs/dbraw/zinc/01/76/85/946017685.db2.gz MEPCNGULQONTAB-XYPYZODXSA-N 0 1 388.457 0.847 20 0 GCADMN C[C@@H](C(=O)N(C)C)N1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001571289969 946022036 /nfs/dbraw/zinc/02/20/36/946022036.db2.gz RCQWOWHUASLGAX-SMDDNHRTSA-N 0 1 388.476 0.502 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573470325 946022613 /nfs/dbraw/zinc/02/26/13/946022613.db2.gz CVAQNNDWTQVNLQ-SGTLLEGYSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001573470518 946026554 /nfs/dbraw/zinc/02/65/54/946026554.db2.gz GIEDHRAHWTUHNK-TZMCWYRMSA-N 0 1 386.460 0.391 20 0 GCADMN O=C(Cn1cnnn1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001571290119 946029543 /nfs/dbraw/zinc/02/95/43/946029543.db2.gz VPRZSCXOKCJEOS-XYPYZODXSA-N 0 1 388.461 0.132 20 0 GCADMN O=C(Cn1cnnn1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001571290119 946029556 /nfs/dbraw/zinc/02/95/56/946029556.db2.gz VPRZSCXOKCJEOS-XYPYZODXSA-N 0 1 388.461 0.132 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573470562 946030077 /nfs/dbraw/zinc/03/00/77/946030077.db2.gz GXZTUQKTDWTVQW-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573470562 946030089 /nfs/dbraw/zinc/03/00/89/946030089.db2.gz GXZTUQKTDWTVQW-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC([C@@H](C)Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573470985 946039630 /nfs/dbraw/zinc/03/96/30/946039630.db2.gz LNESUFABNJSTPU-NEPJUHHUSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573471864 946058292 /nfs/dbraw/zinc/05/82/92/946058292.db2.gz RSPRGUKUNUEAHI-TZMCWYRMSA-N 0 1 386.460 0.522 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573472638 946065975 /nfs/dbraw/zinc/06/59/75/946065975.db2.gz WTYACLXEFJOKDP-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573472638 946065987 /nfs/dbraw/zinc/06/59/87/946065987.db2.gz WTYACLXEFJOKDP-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@H](CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573472958 946075218 /nfs/dbraw/zinc/07/52/18/946075218.db2.gz YISLRJAMSPKUCC-OCCSQVGLSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@@]2(C)C1 ZINC001573474631 946093216 /nfs/dbraw/zinc/09/32/16/946093216.db2.gz MAOBADIAGZEEEP-BVRBVLIYSA-N 0 1 384.444 0.071 20 0 GCADMN 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OKCXRAQEENLIAP-GXTWGEPZSA-N 0 1 389.485 0.487 20 0 GCADMN CC(=O)NCC(=O)N[C@]1(C)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573510237 946474774 /nfs/dbraw/zinc/47/47/74/946474774.db2.gz CJHZKHBRYCSWLG-QGZVFWFLSA-N 0 1 375.408 0.223 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573511487 946487319 /nfs/dbraw/zinc/48/73/19/946487319.db2.gz ANTPBBYWRQTYSQ-LBPRGKRZSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573511487 946487324 /nfs/dbraw/zinc/48/73/24/946487324.db2.gz ANTPBBYWRQTYSQ-LBPRGKRZSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573511487 946487330 /nfs/dbraw/zinc/48/73/30/946487330.db2.gz ANTPBBYWRQTYSQ-LBPRGKRZSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573511487 946487335 /nfs/dbraw/zinc/48/73/35/946487335.db2.gz ANTPBBYWRQTYSQ-LBPRGKRZSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)NCC(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573511814 946491715 /nfs/dbraw/zinc/49/17/15/946491715.db2.gz SFQNZHQCRYZGGR-MRXNPFEDSA-N 0 1 377.474 0.439 20 0 GCADMN CC(=O)NCC(=O)N[C@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573511814 946491724 /nfs/dbraw/zinc/49/17/24/946491724.db2.gz SFQNZHQCRYZGGR-MRXNPFEDSA-N 0 1 377.474 0.439 20 0 GCADMN O=C(c1ccc(=O)[nH]n1)N1C[C@H]2CC[C@@H](C1)N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571312859 946502913 /nfs/dbraw/zinc/50/29/13/946502913.db2.gz LLFYSUCPRXCKTH-GASCZTMLSA-N 0 1 392.423 0.851 20 0 GCADMN CC(=O)NCC(=O)N[C@@]12CCC[C@H]1N(c1cc(C)[nH+]cc1-c1nnn[n-]1)CC2 ZINC001573512893 946504846 /nfs/dbraw/zinc/50/48/46/946504846.db2.gz JHHCDEKESPDBFZ-CRAIPNDOSA-N 0 1 384.444 0.324 20 0 GCADMN CC(=O)NCC(=O)N[C@]12CCC[C@@H]1N(c1cc(C)[nH+]cc1-c1nnn[n-]1)CC2 ZINC001573512897 946506331 /nfs/dbraw/zinc/50/63/31/946506331.db2.gz JHHCDEKESPDBFZ-YJBOKZPZSA-N 0 1 384.444 0.324 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573513894 946514977 /nfs/dbraw/zinc/51/49/77/946514977.db2.gz QRWXCDRJLSPJPB-YPMHNXCESA-N 0 1 377.474 0.439 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573513894 946514996 /nfs/dbraw/zinc/51/49/96/946514996.db2.gz QRWXCDRJLSPJPB-YPMHNXCESA-N 0 1 377.474 0.439 20 0 GCADMN CC(=O)NCC(=O)N[C@@H]1CCCN(Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C ZINC001573514206 946523246 /nfs/dbraw/zinc/52/32/46/946523246.db2.gz VCTKPBWHACULPY-BDJLRTHQSA-N 0 1 389.435 0.611 20 0 GCADMN O=C(c1ccn[nH]1)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1c1ccc(-c2nn[nH]n2)nn1 ZINC001571313868 946534867 /nfs/dbraw/zinc/53/48/67/946534867.db2.gz WSALSUXEUXHQCC-YFCNSXCBSA-N 0 1 392.427 0.367 20 0 GCADMN CC(=O)NCC(=O)N[C@H]1CN(Cc2cc(F)ccc2-c2nn[nH]n2)CC1(C)C ZINC001573516332 946559212 /nfs/dbraw/zinc/55/92/12/946559212.db2.gz YACSDSVGFXFGAO-HNNXBMFYSA-N 0 1 389.435 0.469 20 0 GCADMN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573517330 946568629 /nfs/dbraw/zinc/56/86/29/946568629.db2.gz HMBPUOYDCCPBCJ-KRWDZBQOSA-N 0 1 391.501 0.783 20 0 GCADMN CC(=O)NCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573517330 946568645 /nfs/dbraw/zinc/56/86/45/946568645.db2.gz HMBPUOYDCCPBCJ-KRWDZBQOSA-N 0 1 391.501 0.783 20 0 GCADMN O=C(NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCn2cncc2C1 ZINC001571316897 946592355 /nfs/dbraw/zinc/59/23/55/946592355.db2.gz PHTOAAJOBNVHPV-KRWDZBQOSA-N 0 1 392.467 0.874 20 0 GCADMN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573520304 946595577 /nfs/dbraw/zinc/59/55/77/946595577.db2.gz HZKHHSHWZHKPMZ-NWDGAFQWSA-N 0 1 377.474 0.439 20 0 GCADMN CC(=O)NCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573520304 946595587 /nfs/dbraw/zinc/59/55/87/946595587.db2.gz HZKHHSHWZHKPMZ-NWDGAFQWSA-N 0 1 377.474 0.439 20 0 GCADMN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573520830 946600550 /nfs/dbraw/zinc/60/05/50/946600550.db2.gz MVAVHWMLWATCBB-ZDUSSCGKSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573520830 946600555 /nfs/dbraw/zinc/60/05/55/946600555.db2.gz MVAVHWMLWATCBB-ZDUSSCGKSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573520830 946600559 /nfs/dbraw/zinc/60/05/59/946600559.db2.gz MVAVHWMLWATCBB-ZDUSSCGKSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)NCC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccc(-c2nn[n-]n2)s1 ZINC001573520830 946600564 /nfs/dbraw/zinc/60/05/64/946600564.db2.gz MVAVHWMLWATCBB-ZDUSSCGKSA-N 0 1 391.501 0.925 20 0 GCADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000824172658 946606986 /nfs/dbraw/zinc/60/69/86/946606986.db2.gz NFJNWAVSVUZJJB-GFCCVEGCSA-N 0 1 383.416 0.943 20 0 GCADMN O=C(N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O)c1cccnc1 ZINC001571317501 946611794 /nfs/dbraw/zinc/61/17/94/946611794.db2.gz KDIGEHOSNXFZQT-BDAKNGLRSA-N 0 1 392.832 0.351 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573522088 946621105 /nfs/dbraw/zinc/62/11/05/946621105.db2.gz AFNOUXHIPJOAFF-CYBMUJFWSA-N 0 1 386.460 0.427 20 0 GCADMN CO[C@@H]1CN(c2snc(C)c2-c2nn[nH]n2)C[C@H]1NC(=O)CN1CCCC1 ZINC001571317937 946623996 /nfs/dbraw/zinc/62/39/96/946623996.db2.gz ZHIIVKHPVXEFFR-VXGBXAGGSA-N 0 1 392.489 0.047 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573522736 946630355 /nfs/dbraw/zinc/63/03/55/946630355.db2.gz JDLLUCJYLRONAX-ZDUSSCGKSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)[C@H](C)Nc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573522768 946630400 /nfs/dbraw/zinc/63/04/00/946630400.db2.gz KDIPBTAYKMDBKO-RYUDHWBXSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573522868 946632005 /nfs/dbraw/zinc/63/20/05/946632005.db2.gz LVIGZIIMTQRODV-CYBMUJFWSA-N 0 1 386.460 0.106 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573523843 946639161 /nfs/dbraw/zinc/63/91/61/946639161.db2.gz XIWSEPVZZUJUBO-NEPJUHHUSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573527531 946642995 /nfs/dbraw/zinc/64/29/95/946642995.db2.gz BRBUAEAJEJYJTK-SNVBAGLBSA-N 0 1 379.490 0.685 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573527531 946643003 /nfs/dbraw/zinc/64/30/03/946643003.db2.gz BRBUAEAJEJYJTK-SNVBAGLBSA-N 0 1 379.490 0.685 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573527754 946648956 /nfs/dbraw/zinc/64/89/56/946648956.db2.gz HASFYBXAQJOUSB-HNNXBMFYSA-N 0 1 386.460 0.153 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573528049 946655176 /nfs/dbraw/zinc/65/51/76/946655176.db2.gz RFCBXRAIVPIMLQ-NSHDSACASA-N 0 1 391.451 0.762 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573528045 946655521 /nfs/dbraw/zinc/65/55/21/946655521.db2.gz QQNMHNOCSYQSAR-UHFFFAOYSA-N 0 1 386.460 0.215 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC[C@@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573528189 946658756 /nfs/dbraw/zinc/65/87/56/946658756.db2.gz XYVJBGWZVGEKOS-GFCCVEGCSA-N 0 1 388.476 0.673 20 0 GCADMN C[C@@H](CN1CCOCC1)C(=O)N1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412674 946693504 /nfs/dbraw/zinc/69/35/04/946693504.db2.gz DJIBOOBSZXIEJA-INIZCTEOSA-N 0 1 399.499 0.479 20 0 GCADMN C[C@H](CN1CCOCC1)C(=O)N1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824413071 946694726 /nfs/dbraw/zinc/69/47/26/946694726.db2.gz JEGJQGIFXHNRIA-RHSMWYFYSA-N 0 1 386.456 0.735 20 0 GCADMN CC(=O)N[C@@H](C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)C(C)C ZINC001573535260 946719389 /nfs/dbraw/zinc/71/93/89/946719389.db2.gz ACCSSMRJHWMMDO-HZPDHXFCSA-N 0 1 386.460 0.151 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)C(C)C ZINC001573535386 946721375 /nfs/dbraw/zinc/72/13/75/946721375.db2.gz DNSOAWVROIEJHG-IAGOWNOFSA-N 0 1 385.472 0.718 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)C(C)C ZINC001573535335 946722154 /nfs/dbraw/zinc/72/21/54/946722154.db2.gz CIKVMWHQIZOFQZ-LALPHHSUSA-N 0 1 391.501 0.826 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)C(C)C ZINC001573535335 946722157 /nfs/dbraw/zinc/72/21/57/946722157.db2.gz CIKVMWHQIZOFQZ-LALPHHSUSA-N 0 1 391.501 0.826 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1)C(C)C ZINC001573536108 946731110 /nfs/dbraw/zinc/73/11/10/946731110.db2.gz PHHJNQVOGVDQRB-IAGOWNOFSA-N 0 1 385.472 0.718 20 0 GCADMN CC(=O)N[C@@H](C(=O)NC[C@H](C)NCc1cc(-c2nn[nH]n2)ccc1F)C(C)C ZINC001573536611 946737704 /nfs/dbraw/zinc/73/77/04/946737704.db2.gz ZIJYDBKYGQWLCP-MEDUHNTESA-N 0 1 391.451 0.761 20 0 GCADMN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000824507342 946754329 /nfs/dbraw/zinc/75/43/29/946754329.db2.gz WQJIJQYZANQJHN-GHMZBOCLSA-N 0 1 391.436 0.220 20 0 GCADMN 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CC(=O)N1CCC(C(=O)NCCN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573429007 948169802 /nfs/dbraw/zinc/16/98/02/948169802.db2.gz FZMDYBDQGYERHH-UHFFFAOYSA-N 0 1 386.460 0.381 20 0 GCADMN C[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573680385 948178361 /nfs/dbraw/zinc/17/83/61/948178361.db2.gz NOTKEHXGLYYPEE-JGVFFNPUSA-N 0 1 378.380 0.693 20 0 GCADMN NC(=O)CC1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826391140 948198013 /nfs/dbraw/zinc/19/80/13/948198013.db2.gz XTVMFELQNIEIPY-INIZCTEOSA-N 0 1 383.456 0.950 20 0 GCADMN C[C@H](C(=O)NC[C@@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)n1cccc1 ZINC001573681320 948202207 /nfs/dbraw/zinc/20/22/07/948202207.db2.gz URKJWBMIUWKSKN-OCCSQVGLSA-N 0 1 387.419 0.635 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434654 948216919 /nfs/dbraw/zinc/21/69/19/948216919.db2.gz SBAXLAKRZZNMPJ-KZULUSFZSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)C1 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ZJCNYDXGSABPDA-TZMCWYRMSA-N 0 1 386.460 0.201 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2cnc(-c3nn[n-]n3)cn2)CC1)[NH+]1CCCCCC1 ZINC001573692324 948261673 /nfs/dbraw/zinc/26/16/73/948261673.db2.gz OEGQWGHBXZTRSA-CYBMUJFWSA-N 0 1 385.476 0.982 20 0 GCADMN CC(=O)N1CCC[C@H](N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2=O)C1 ZINC001573441990 948284913 /nfs/dbraw/zinc/28/49/13/948284913.db2.gz FEWWSFJYHYXTNW-AWEZNQCLSA-N 0 1 384.444 0.230 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573442228 948287962 /nfs/dbraw/zinc/28/79/62/948287962.db2.gz FWZBMBRNYHGQJL-GXTWGEPZSA-N 0 1 386.460 0.106 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C(C)(F)F ZINC001573695644 948308701 /nfs/dbraw/zinc/30/87/01/948308701.db2.gz YGSMBBNKEURQTE-BXKDBHETSA-N 0 1 386.378 0.864 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC001573695899 948311409 /nfs/dbraw/zinc/31/14/09/948311409.db2.gz YQWUAHJTMPNPSH-RISCZKNCSA-N 0 1 388.403 0.969 20 0 GCADMN C[C@@H](C(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573696211 948319414 /nfs/dbraw/zinc/31/94/14/948319414.db2.gz MCCMTTRXJLWPNU-PIGZYNQJSA-N 0 1 384.400 0.111 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)N(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573445254 948321666 /nfs/dbraw/zinc/32/16/66/948321666.db2.gz ZBGAIPOBYPVOPZ-TZMCWYRMSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573446481 948331435 /nfs/dbraw/zinc/33/14/35/948331435.db2.gz HRHCVOZQNICIMN-OAHLLOKOSA-N 0 1 386.460 0.476 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573446663 948333129 /nfs/dbraw/zinc/33/31/29/948333129.db2.gz LQJOMUNJUVVUBT-BDJLRTHQSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573446677 948333838 /nfs/dbraw/zinc/33/38/38/948333838.db2.gz MEOOHZCXUNCDHD-MEDUHNTESA-N 0 1 386.460 0.310 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573446698 948336167 /nfs/dbraw/zinc/33/61/67/948336167.db2.gz NBPJWVCRXHTMAE-SMDDNHRTSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573446698 948336181 /nfs/dbraw/zinc/33/61/81/948336181.db2.gz NBPJWVCRXHTMAE-SMDDNHRTSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573446697 948336335 /nfs/dbraw/zinc/33/63/35/948336335.db2.gz NBPJWVCRXHTMAE-BXUZGUMPSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573446697 948336345 /nfs/dbraw/zinc/33/63/45/948336345.db2.gz NBPJWVCRXHTMAE-BXUZGUMPSA-N 0 1 391.501 0.876 20 0 GCADMN O=C1[C@@H](N2CCC(OCCO)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477145 948388196 /nfs/dbraw/zinc/38/81/96/948388196.db2.gz WLYNSSNMLFYYMG-KRWDZBQOSA-N 0 1 386.456 0.835 20 0 GCADMN O=S(=O)(Nc1ccc(F)cc1-c1nn[nH]n1)c1cccc(-n2cnnn2)c1 ZINC000826492804 948405870 /nfs/dbraw/zinc/40/58/70/948405870.db2.gz FEXHHKUEVHJREG-UHFFFAOYSA-N 0 1 387.360 0.782 20 0 GCADMN C[C@H](C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1)n1cnc(-c2nn[nH]n2)n1 ZINC001573706014 948412197 /nfs/dbraw/zinc/41/21/97/948412197.db2.gz HZEXFPRZCMCXIP-OLZOCXBDSA-N 0 1 390.448 0.501 20 0 GCADMN C[C@@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C(F)(F)F ZINC001573707424 948433632 /nfs/dbraw/zinc/43/36/32/948433632.db2.gz NRLGMCXBMGVZAT-VIFPVBQESA-N 0 1 384.366 0.975 20 0 GCADMN C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573707594 948436993 /nfs/dbraw/zinc/43/69/93/948436993.db2.gz OULJBSPSFARIEC-ZJUUUORDSA-N 0 1 382.375 0.269 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573707592 948437073 /nfs/dbraw/zinc/43/70/73/948437073.db2.gz OULJBSPSFARIEC-UWVGGRQHSA-N 0 1 382.375 0.269 20 0 GCADMN C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)c1cnn(C)c1 ZINC001573707938 948440832 /nfs/dbraw/zinc/44/08/32/948440832.db2.gz QISVBISFCQLTFS-ZDUSSCGKSA-N 0 1 380.456 0.952 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573708345 948448924 /nfs/dbraw/zinc/44/89/24/948448924.db2.gz UHJVQOBZTWUKOI-OLZOCXBDSA-N 0 1 392.485 0.238 20 0 GCADMN C[C@H](C(=O)NCC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573714509 948473356 /nfs/dbraw/zinc/47/33/56/948473356.db2.gz HKJTUEYBJNRYEY-CHWSQXEVSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)n1cnc(-c2nn[n-]n2)n1 ZINC001573716271 948499234 /nfs/dbraw/zinc/49/92/34/948499234.db2.gz FBYYKZSPNUMCGI-RDBSUJKOSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001573716582 948500808 /nfs/dbraw/zinc/50/08/08/948500808.db2.gz IHRNFEUFYLPCLG-KBPBESRZSA-N 0 1 387.492 0.650 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)n1cnc(-c2nnn[n-]2)n1 ZINC001573718343 948515560 /nfs/dbraw/zinc/51/55/60/948515560.db2.gz QURQTKKQNFIILY-YUELXQCFSA-N 0 1 381.444 0.481 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573718343 948515564 /nfs/dbraw/zinc/51/55/64/948515564.db2.gz QURQTKKQNFIILY-YUELXQCFSA-N 0 1 381.444 0.481 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573718343 948515571 /nfs/dbraw/zinc/51/55/71/948515571.db2.gz QURQTKKQNFIILY-YUELXQCFSA-N 0 1 381.444 0.481 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)n1cnc(-c2nnn[n-]2)n1 ZINC001573718341 948516092 /nfs/dbraw/zinc/51/60/92/948516092.db2.gz QURQTKKQNFIILY-CFVMTHIKSA-N 0 1 381.444 0.481 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573718341 948516099 /nfs/dbraw/zinc/51/60/99/948516099.db2.gz QURQTKKQNFIILY-CFVMTHIKSA-N 0 1 381.444 0.481 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)n1cnc(-c2nn[n-]n2)n1 ZINC001573718341 948516105 /nfs/dbraw/zinc/51/61/05/948516105.db2.gz QURQTKKQNFIILY-CFVMTHIKSA-N 0 1 381.444 0.481 20 0 GCADMN C[C@@H](C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(C)C ZINC001573721590 948541010 /nfs/dbraw/zinc/54/10/10/948541010.db2.gz YVZWLBYLTWCZIJ-ZDUSSCGKSA-N 0 1 387.492 0.577 20 0 GCADMN C[C@@H](C(=O)NCc1ccc(OCC(F)(F)F)nn1)n1cnc(-c2nn[nH]n2)n1 ZINC001573727728 948555634 /nfs/dbraw/zinc/55/56/34/948555634.db2.gz BSZZNWTWTDJPPI-ZETCQYMHSA-N 0 1 398.309 0.067 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573730980 948587643 /nfs/dbraw/zinc/58/76/43/948587643.db2.gz UPLFAYJCUPJKHE-YRGRVCCFSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@H](C(=O)N[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)S(C)(=O)=O ZINC001573732843 948609303 /nfs/dbraw/zinc/60/93/03/948609303.db2.gz ZILPTKOFPHDPQM-VHSXEESVSA-N 0 1 384.437 0.033 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C(F)(F)F ZINC001573740877 948645520 /nfs/dbraw/zinc/64/55/20/948645520.db2.gz PSNGXACARIJPAJ-ZWKOPEQDSA-N 0 1 384.362 0.726 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)C(F)(F)F ZINC001573741337 948653796 /nfs/dbraw/zinc/65/37/96/948653796.db2.gz XERAYBHMDUTEAT-ZWKOPEQDSA-N 0 1 384.362 0.726 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC001573741597 948656051 /nfs/dbraw/zinc/65/60/51/948656051.db2.gz DLPYBQHGFIPKRL-ZJUUUORDSA-N 0 1 386.382 0.483 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C)n1cnc(-c2nn[nH]n2)n1 ZINC001573741971 948657146 /nfs/dbraw/zinc/65/71/46/948657146.db2.gz HAOWUSJVHKBGJK-MXWKQRLJSA-N 0 1 391.436 0.533 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573752549 948714775 /nfs/dbraw/zinc/71/47/75/948714775.db2.gz NZOQYQRZIPYMKK-OPRDCNLKSA-N 0 1 384.487 0.098 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573752549 948714778 /nfs/dbraw/zinc/71/47/78/948714778.db2.gz NZOQYQRZIPYMKK-OPRDCNLKSA-N 0 1 384.487 0.098 20 0 GCADMN CC(C)c1cccc(C(=O)NC[C@H](O)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001574417051 948763564 /nfs/dbraw/zinc/76/35/64/948763564.db2.gz KFMAKIOCANJUAJ-CQSZACIVSA-N 0 1 382.428 0.405 20 0 GCADMN CC(C)c1cccc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)n1 ZINC001574417467 948768302 /nfs/dbraw/zinc/76/83/02/948768302.db2.gz OLOLPUMMPSXQDY-GFCCVEGCSA-N 0 1 382.428 0.405 20 0 GCADMN CC(C)c1cccc(C(=O)NC[C@@H](O)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001574417441 948770382 /nfs/dbraw/zinc/77/03/82/948770382.db2.gz NLRUKMBKQMHEGZ-LBPRGKRZSA-N 0 1 382.428 0.405 20 0 GCADMN CC(C)[C@@H](F)C(=O)NCCN1CCC(Nc2ccc(-c3nn[nH]n3)nn2)CC1 ZINC001574079715 948775968 /nfs/dbraw/zinc/77/59/68/948775968.db2.gz FUIQCNGWEAABLG-OAHLLOKOSA-N 0 1 391.455 0.643 20 0 GCADMN CC(C)c1ccccc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574419317 948779079 /nfs/dbraw/zinc/77/90/79/948779079.db2.gz BECMYVUTRFRNAX-GFCCVEGCSA-N 0 1 382.428 0.405 20 0 GCADMN C[C@@H](C(=O)Nc1ccc(C2CC(=O)NC(=O)C2)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756069 948797627 /nfs/dbraw/zinc/79/76/27/948797627.db2.gz LTWPINBSIBPCPM-VIFPVBQESA-N 0 1 395.383 0.178 20 0 GCADMN CC(F)(F)CC(=O)NC1CC2(C1)CC(Nc1ccnc(-c3nn[nH]n3)n1)C2 ZINC001575225001 948798644 /nfs/dbraw/zinc/79/86/44/948798644.db2.gz VMTMALIEOYRUGZ-UHFFFAOYSA-N 0 1 378.387 0.963 20 0 GCADMN CC(F)(F)CC(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001575225275 948803515 /nfs/dbraw/zinc/80/35/15/948803515.db2.gz YMKVGUSCORKJOP-LLVKDONJSA-N 0 1 381.387 0.758 20 0 GCADMN CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574420813 948807595 /nfs/dbraw/zinc/80/75/95/948807595.db2.gz ASVJCIVKZUTHDE-NSHDSACASA-N 0 1 386.416 0.340 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cnn(C)c1 ZINC001573756232 948807876 /nfs/dbraw/zinc/80/78/76/948807876.db2.gz OQCXXSNZUOONOZ-ADDUCUOXSA-N 0 1 379.428 0.350 20 0 GCADMN C[C@H](CNC(=O)CCCn1ccccc1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574917748 948825395 /nfs/dbraw/zinc/82/53/95/948825395.db2.gz ANSDUIAFDNSWAJ-CYBMUJFWSA-N 0 1 382.428 0.242 20 0 GCADMN CC(C)c1ccoc1C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574422201 948829390 /nfs/dbraw/zinc/82/93/90/948829390.db2.gz XESURBVUSKCAQW-GFCCVEGCSA-N 0 1 385.428 0.945 20 0 GCADMN CC(F)(F)C1(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575227374 948829793 /nfs/dbraw/zinc/82/97/93/948829793.db2.gz VLGQJXLQPHGNLB-MGCOHNPYSA-N 0 1 378.387 0.821 20 0 GCADMN CC(C)c1nc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)cs1 ZINC001574424013 948835884 /nfs/dbraw/zinc/83/58/84/948835884.db2.gz AZNYLMSJBHGPAZ-JTQLQIEISA-N 0 1 388.457 0.466 20 0 GCADMN C[C@@H](CNC(=O)CCCS(C)(=O)=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574918347 948846021 /nfs/dbraw/zinc/84/60/21/948846021.db2.gz JKNRLQGTNQKXQN-NSHDSACASA-N 0 1 381.462 0.027 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573762718 948861662 /nfs/dbraw/zinc/86/16/62/948861662.db2.gz ZJPGPCBOPJNAJD-VIFPVBQESA-N 0 1 384.366 0.928 20 0 GCADMN CC(C)(C(=O)N1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCC1 ZINC001573763747 948871409 /nfs/dbraw/zinc/87/14/09/948871409.db2.gz GRVVUUKCVKJLDV-UHFFFAOYSA-N 0 1 385.476 0.356 20 0 GCADMN CC(C)c1nnc(CNC2CC(N(C)C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)[nH]1 ZINC001574425345 948872454 /nfs/dbraw/zinc/87/24/54/948872454.db2.gz DOWOTQJPZDLTNV-UHFFFAOYSA-N 0 1 384.448 0.829 20 0 GCADMN CC(C)c1nc(CN2CC[C@@H](N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001574425513 948877354 /nfs/dbraw/zinc/87/73/54/948877354.db2.gz HHINIRBYUMORCO-GFCCVEGCSA-N 0 1 384.448 0.783 20 0 GCADMN CC(C)c1nc(CN2CC[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001574425775 948884791 /nfs/dbraw/zinc/88/47/91/948884791.db2.gz NJYFVGJPVLDUCT-NSHDSACASA-N 0 1 384.448 0.688 20 0 GCADMN CC(C)c1nc(CN2CC[C@](C)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001574426006 948885775 /nfs/dbraw/zinc/88/57/75/948885775.db2.gz PHZPEIYUFLBHJZ-KRWDZBQOSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1nc(CN2CC[C@](C)(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001574426936 948895221 /nfs/dbraw/zinc/89/52/21/948895221.db2.gz XCLIQAXUOVIJRT-KRWDZBQOSA-N 0 1 384.448 0.831 20 0 GCADMN CC(F)(F)CCC(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575234449 948901479 /nfs/dbraw/zinc/90/14/79/948901479.db2.gz CVOODJBOEHCWKX-SNVBAGLBSA-N 0 1 382.375 0.153 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCC1 ZINC001573765231 948903267 /nfs/dbraw/zinc/90/32/67/948903267.db2.gz XCFHSNWARQBRPD-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573765487 948912647 /nfs/dbraw/zinc/91/26/47/948912647.db2.gz KGFVASOWCUMVMT-CYBMUJFWSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)c1noc(CCC(=O)NC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)n1 ZINC001574921126 948917943 /nfs/dbraw/zinc/91/79/43/948917943.db2.gz SSHVCFUKHZLQTD-LLVKDONJSA-N 0 1 385.432 0.739 20 0 GCADMN C[C@H](CNC(=O)CCc1nc[nH]n1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001574921355 948921572 /nfs/dbraw/zinc/92/15/72/948921572.db2.gz VMGAFHZKZQZWTN-SECBINFHSA-N 0 1 390.839 0.607 20 0 GCADMN C[C@@H](CNC(=O)CCn1cncn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574923052 948930376 /nfs/dbraw/zinc/93/03/76/948930376.db2.gz BYIQITRQKBASMS-ZETCQYMHSA-N 0 1 382.841 0.575 20 0 GCADMN C[C@H](CNC(=O)CCn1cncn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574923051 948931565 /nfs/dbraw/zinc/93/15/65/948931565.db2.gz BYIQITRQKBASMS-SSDOTTSWSA-N 0 1 382.841 0.575 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574432741 948937858 /nfs/dbraw/zinc/93/78/58/948937858.db2.gz CQZXNUFPNXTCSF-LLVKDONJSA-N 0 1 382.432 0.262 20 0 GCADMN C[C@H](CNC(=O)CCn1ccnn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574924094 948966030 /nfs/dbraw/zinc/96/60/30/948966030.db2.gz VWWLEYZULQWIAO-GFCCVEGCSA-N 0 1 387.423 0.624 20 0 GCADMN C[C@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)[C@H](C)CN1CCOCC1 ZINC001574688812 948969813 /nfs/dbraw/zinc/96/98/13/948969813.db2.gz ZOZUGWSRVWKDNU-ZIAGYGMSSA-N 0 1 388.476 0.537 20 0 GCADMN C[C@@](CNC(=O)CN1CCCC1)(NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CC1 ZINC001574925707 948978286 /nfs/dbraw/zinc/97/82/86/948978286.db2.gz CBCASHBTGCFWDY-SFHVURJKSA-N 0 1 386.460 0.305 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCC1 ZINC001573773303 948979542 /nfs/dbraw/zinc/97/95/42/948979542.db2.gz JVNGHJSPRMGSAT-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001573773303 948979558 /nfs/dbraw/zinc/97/95/58/948979558.db2.gz JVNGHJSPRMGSAT-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCCCC1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574926052 948982295 /nfs/dbraw/zinc/98/22/95/948982295.db2.gz HDJRWFWQBQUAIQ-CYBMUJFWSA-N 0 1 386.460 0.393 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574926186 948991933 /nfs/dbraw/zinc/99/19/33/948991933.db2.gz KENZBBJYKBZQTI-GFCCVEGCSA-N 0 1 375.481 0.221 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574926186 948991943 /nfs/dbraw/zinc/99/19/43/948991943.db2.gz KENZBBJYKBZQTI-GFCCVEGCSA-N 0 1 375.481 0.221 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574926186 948991949 /nfs/dbraw/zinc/99/19/49/948991949.db2.gz KENZBBJYKBZQTI-GFCCVEGCSA-N 0 1 375.481 0.221 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574926476 949000715 /nfs/dbraw/zinc/00/07/15/949000715.db2.gz RVQXRPJFBMGMCU-CYBMUJFWSA-N 0 1 386.460 0.605 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926475 949000750 /nfs/dbraw/zinc/00/07/50/949000750.db2.gz RNRQMUURSZGVGU-NSHDSACASA-N 0 1 377.474 0.535 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574926475 949000759 /nfs/dbraw/zinc/00/07/59/949000759.db2.gz RNRQMUURSZGVGU-NSHDSACASA-N 0 1 377.474 0.535 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926502 949003026 /nfs/dbraw/zinc/00/30/26/949003026.db2.gz SQZOTRYKEKJJAL-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cnc(-c2nn[n-]n2)cn1 ZINC001574926502 949003039 /nfs/dbraw/zinc/00/30/39/949003039.db2.gz SQZOTRYKEKJJAL-GFCCVEGCSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](F)CCN1CCO[C@@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575245479 949023645 /nfs/dbraw/zinc/02/36/45/949023645.db2.gz CHCANHSICGALMR-SJCJKPOMSA-N 0 1 377.424 0.860 20 0 GCADMN CC(C)c1nnsc1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574440599 949034895 /nfs/dbraw/zinc/03/48/95/949034895.db2.gz UJMCRDAFPRIAIQ-DTORHVGOSA-N 0 1 386.445 0.426 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCOCC1 ZINC001573775486 949043745 /nfs/dbraw/zinc/04/37/45/949043745.db2.gz XNWMKGQWTLNQGA-UHFFFAOYSA-N 0 1 386.460 0.592 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CC1)[NH+]1CCCCC1 ZINC001573775506 949046643 /nfs/dbraw/zinc/04/66/43/949046643.db2.gz YCWMLIWGPNQGRH-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCCC1 ZINC001573775506 949046660 /nfs/dbraw/zinc/04/66/60/949046660.db2.gz YCWMLIWGPNQGRH-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573778997 949048248 /nfs/dbraw/zinc/04/82/48/949048248.db2.gz BWMPGGLWFRNQFV-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)[C@@H]1C[C@H](C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001574092294 949053099 /nfs/dbraw/zinc/05/30/99/949053099.db2.gz NNWSGKHEFVRJID-OLZOCXBDSA-N 0 1 386.460 0.591 20 0 GCADMN CC(C)[C@H]1C[C@@H](C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001574092295 949054103 /nfs/dbraw/zinc/05/41/03/949054103.db2.gz NNWSGKHEFVRJID-QWHCGFSZSA-N 0 1 386.460 0.591 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001574928262 949055451 /nfs/dbraw/zinc/05/54/51/949055451.db2.gz NXVPJVLXKXYECN-GFCCVEGCSA-N 0 1 388.476 0.400 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441277 949059477 /nfs/dbraw/zinc/05/94/77/949059477.db2.gz JAUFVNZVCCWJOG-PHIMTYICSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573779479 949063824 /nfs/dbraw/zinc/06/38/24/949063824.db2.gz JLVAEPWYGCRXRJ-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573779479 949063839 /nfs/dbraw/zinc/06/38/39/949063839.db2.gz JLVAEPWYGCRXRJ-UHFFFAOYSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573779468 949064555 /nfs/dbraw/zinc/06/45/55/949064555.db2.gz JAUXKDQGYAFAFS-UHFFFAOYSA-N 0 1 382.432 0.086 20 0 GCADMN CC(C)[C@@H]1C[C@@H]1C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001574092607 949071678 /nfs/dbraw/zinc/07/16/78/949071678.db2.gz OYAVFQWPGHNFHH-STQMWFEESA-N 0 1 386.460 0.448 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574929121 949076979 /nfs/dbraw/zinc/07/69/79/949076979.db2.gz YSMAFLFBGVROCD-JTQLQIEISA-N 0 1 375.408 0.126 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H](C)Oc1cccnc1 ZINC001575504707 949081385 /nfs/dbraw/zinc/08/13/85/949081385.db2.gz WOUHYIFKNUYZIO-CHWSQXEVSA-N 0 1 382.428 0.805 20 0 GCADMN C[C@H](CNC(=O)COCc1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574929289 949086556 /nfs/dbraw/zinc/08/65/56/949086556.db2.gz CFVQCYOHYDHRMF-GFCCVEGCSA-N 0 1 383.416 0.209 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575249275 949095676 /nfs/dbraw/zinc/09/56/76/949095676.db2.gz YSVUBKBQMRFVED-NWDGAFQWSA-N 0 1 388.476 0.753 20 0 GCADMN C[C@H](CNC(=O)COC[C@@H]1CCCO1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574931102 949113747 /nfs/dbraw/zinc/11/37/47/949113747.db2.gz NLSJWLHSGXFTSY-OLZOCXBDSA-N 0 1 375.433 0.398 20 0 GCADMN C[C@@H](c1ccccc1)[C@@H](NS(=O)(=O)c1ccsc1-c1nn[nH]n1)C(N)=O ZINC001575510130 949122413 /nfs/dbraw/zinc/12/24/13/949122413.db2.gz GJFCMNLHBZNCGJ-JOYOIKCWSA-N 0 1 392.466 0.864 20 0 GCADMN CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001574446386 949129240 /nfs/dbraw/zinc/12/92/40/949129240.db2.gz OAFSQNIRRHVRKS-NEPJUHHUSA-N 0 1 384.400 0.353 20 0 GCADMN C[C@H](CNC(=O)CO[C@H]1CCOC1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574932065 949131158 /nfs/dbraw/zinc/13/11/58/949131158.db2.gz UNZHKGQIWLJIKK-RISCZKNCSA-N 0 1 378.408 0.406 20 0 GCADMN CC(C)[C@H]1C[C@H]1C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001574094312 949131888 /nfs/dbraw/zinc/13/18/88/949131888.db2.gz UWJXEHGWXSIQGN-ZIAGYGMSSA-N 0 1 385.472 0.741 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573782767 949132555 /nfs/dbraw/zinc/13/25/55/949132555.db2.gz JAUXKDQGYAFAFS-XYPYZODXSA-N 0 1 382.432 0.086 20 0 GCADMN C[C@H](CNC(=O)COCc1ccncc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574932252 949134653 /nfs/dbraw/zinc/13/46/53/949134653.db2.gz WSCDAHNTAVGQRV-ZDUSSCGKSA-N 0 1 382.428 0.460 20 0 GCADMN CC(C)(C(=O)NCCN(c1ccc(-c2nn[n-]n2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573782899 949137484 /nfs/dbraw/zinc/13/74/84/949137484.db2.gz ZGMAPCGNYPIKBV-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574697558 949154022 /nfs/dbraw/zinc/15/40/22/949154022.db2.gz AYUKWEGOLMUDIZ-RNFRBKRXSA-N 0 1 386.869 0.747 20 0 GCADMN C[C@@H](CNC(=O)COc1ccccc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574934360 949154535 /nfs/dbraw/zinc/15/45/35/949154535.db2.gz GFEZKCBHUQUMRN-JTQLQIEISA-N 0 1 388.819 0.728 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573786980 949158891 /nfs/dbraw/zinc/15/88/91/949158891.db2.gz HMWVHQMYWUCJOR-KYZUINATSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@H](NC(=O)C(C)(C)N1CCOCC1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575252255 949160725 /nfs/dbraw/zinc/16/07/25/949160725.db2.gz PXMWOCRMUBLIQT-STQMWFEESA-N 0 1 388.476 0.100 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)C(F)F ZINC001573787068 949163629 /nfs/dbraw/zinc/16/36/29/949163629.db2.gz LNDOZOBPOZRTAY-CHWSQXEVSA-N 0 1 380.399 0.819 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O)C1CCCC1 ZINC001573787243 949171045 /nfs/dbraw/zinc/17/10/45/949171045.db2.gz ROZKVYRTGNVXSS-OLZOCXBDSA-N 0 1 386.460 0.539 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574698012 949171211 /nfs/dbraw/zinc/17/12/11/949171211.db2.gz FDKHKFVRLRYJER-WDEREUQCSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698113 949173787 /nfs/dbraw/zinc/17/37/87/949173787.db2.gz GDVFWRDRCJDUHK-QWRGUYRKSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698113 949173801 /nfs/dbraw/zinc/17/38/01/949173801.db2.gz GDVFWRDRCJDUHK-QWRGUYRKSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001575253428 949185912 /nfs/dbraw/zinc/18/59/12/949185912.db2.gz UAPZRTSPRRGLMU-IJLUTSLNSA-N 0 1 386.460 0.294 20 0 GCADMN C[C@H](CNC(=O)Cc1c[nH]c2cnccc12)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574936136 949208333 /nfs/dbraw/zinc/20/83/33/949208333.db2.gz HOWPUQYMDJCRHL-NSHDSACASA-N 0 1 392.427 0.362 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)CN1CCOCC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574698802 949208430 /nfs/dbraw/zinc/20/84/30/949208430.db2.gz OUOMYFSPRMICSX-ZIAGYGMSSA-N 0 1 388.476 0.489 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574698801 949209706 /nfs/dbraw/zinc/20/97/06/949209706.db2.gz OUOMYFSPRMICSX-UONOGXRCSA-N 0 1 388.476 0.489 20 0 GCADMN C[C@@H](CNC(=O)Cc1cc(F)ccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574938066 949234638 /nfs/dbraw/zinc/23/46/38/949234638.db2.gz RGKBJQVKUHEENF-SNVBAGLBSA-N 0 1 388.382 0.764 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2ccc(F)cn2)CC1 ZINC001575854643 949238311 /nfs/dbraw/zinc/23/83/11/949238311.db2.gz YRHCHPYIYCIDTP-UHFFFAOYSA-N 0 1 383.391 0.720 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)[C@]2(F)CCOC2)CC1 ZINC001575854662 949238809 /nfs/dbraw/zinc/23/88/09/949238809.db2.gz ZJDAMVPKMGNKOK-INIZCTEOSA-N 0 1 376.396 0.000 20 0 GCADMN C[C@H](CNC(=O)Cc1ccc(Cl)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574938631 949248590 /nfs/dbraw/zinc/24/85/90/949248590.db2.gz XVRCEPDMXCWRRT-MRVPVSSYSA-N 0 1 378.849 0.953 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575256160 949250196 /nfs/dbraw/zinc/25/01/96/949250196.db2.gz TYSVDRCIFBOIIT-CHWSQXEVSA-N 0 1 385.476 0.260 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccc(F)cc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574938705 949250334 /nfs/dbraw/zinc/25/03/34/949250334.db2.gz ZIAYSBPHXLJTIJ-SNVBAGLBSA-N 0 1 388.382 0.764 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)Oc1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574700014 949250818 /nfs/dbraw/zinc/25/08/18/949250818.db2.gz XUGVMYDBFPGAQN-RYUDHWBXSA-N 0 1 383.416 0.200 20 0 GCADMN CC(C)(C)C(=O)N1CCC[C@H]1C(=O)NCCNc1ccncc1-c1nn[nH]n1 ZINC001573792614 949256138 /nfs/dbraw/zinc/25/61/38/949256138.db2.gz ROTMZZTVXYHWKQ-AWEZNQCLSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](CNC(=O)Cc1ccc2n[nH]cc2c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574940224 949256526 /nfs/dbraw/zinc/25/65/26/949256526.db2.gz BWILHOSLTBTYEK-LLVKDONJSA-N 0 1 392.427 0.717 20 0 GCADMN CC(C)n1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574452869 949268891 /nfs/dbraw/zinc/26/88/91/949268891.db2.gz OYBFTMMWJOLOQF-ZDUSSCGKSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](Nc1ccc(-c2nnn[n-]2)nn1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575257296 949270379 /nfs/dbraw/zinc/27/03/79/949270379.db2.gz ZNKXJOZOAKTITM-OLZOCXBDSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575257296 949270394 /nfs/dbraw/zinc/27/03/94/949270394.db2.gz ZNKXJOZOAKTITM-OLZOCXBDSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575257295 949274137 /nfs/dbraw/zinc/27/41/37/949274137.db2.gz ZNKXJOZOAKTITM-CHWSQXEVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575257295 949274159 /nfs/dbraw/zinc/27/41/59/949274159.db2.gz ZNKXJOZOAKTITM-CHWSQXEVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574702647 949287308 /nfs/dbraw/zinc/28/73/08/949287308.db2.gz JZHIKYLIHQZHEF-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@]1(C)CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574702647 949287325 /nfs/dbraw/zinc/28/73/25/949287325.db2.gz JZHIKYLIHQZHEF-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)n1ccc(C(=O)NC[C@@H]2CCCN2c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574457158 949315885 /nfs/dbraw/zinc/31/58/85/949315885.db2.gz ARTCRJWHRRDMJE-LBPRGKRZSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1ccc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574457119 949316529 /nfs/dbraw/zinc/31/65/29/949316529.db2.gz AJIPHHFJLZCDEI-HAQNSBGRSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@@H](NC(=O)C1=COCCO1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575259150 949318220 /nfs/dbraw/zinc/31/82/20/949318220.db2.gz MRKDAOUEVXCCKM-NEPJUHHUSA-N 0 1 386.416 0.266 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574703337 949322356 /nfs/dbraw/zinc/32/23/56/949322356.db2.gz UOHXMOZRBHKENU-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@]1(C)CCC(=O)NC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574703337 949322381 /nfs/dbraw/zinc/32/23/81/949322381.db2.gz UOHXMOZRBHKENU-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574703352 949323342 /nfs/dbraw/zinc/32/33/42/949323342.db2.gz BKFJSDZTRMQOAS-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574703352 949323361 /nfs/dbraw/zinc/32/33/61/949323361.db2.gz BKFJSDZTRMQOAS-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)(C)C(=O)N1CCN([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001573795421 949325594 /nfs/dbraw/zinc/32/55/94/949325594.db2.gz MXYFYSCWIJEAID-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)n1ccc(C(=O)NC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)n1 ZINC001574458807 949347476 /nfs/dbraw/zinc/34/74/76/949347476.db2.gz YTQFTQWQFIQQOZ-ZDUSSCGKSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)n1ccc(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)n1 ZINC001574458806 949348281 /nfs/dbraw/zinc/34/82/81/949348281.db2.gz YTQFTQWQFIQQOZ-CYBMUJFWSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CCC(=O)NC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260737 949365697 /nfs/dbraw/zinc/36/56/97/949365697.db2.gz XIOQOPLBFSJCKQ-SWLSCSKDSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H](CNC(=O)Cc1cc[nH]n1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574942697 949367628 /nfs/dbraw/zinc/36/76/28/949367628.db2.gz REZXEASBWAXRNB-ZETCQYMHSA-N 0 1 381.853 0.883 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573799959 949386376 /nfs/dbraw/zinc/38/63/76/949386376.db2.gz SADFYDXCFIJBNN-HNNXBMFYSA-N 0 1 385.472 0.720 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573801576 949398139 /nfs/dbraw/zinc/39/81/39/949398139.db2.gz AWSPLAGWZJVTAB-UHFFFAOYSA-N 0 1 385.472 0.577 20 0 GCADMN C[C@@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001574945099 949409471 /nfs/dbraw/zinc/40/94/71/949409471.db2.gz KPSDIRQKQSZHGX-JTQLQIEISA-N 0 1 382.432 0.418 20 0 GCADMN C[C@H](CNC(=O)Cc1cnn2c1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574945753 949418341 /nfs/dbraw/zinc/41/83/41/949418341.db2.gz NMUOJTXTGFCMSV-GFCCVEGCSA-N 0 1 381.444 0.376 20 0 GCADMN C[C@H](NC(=O)[C@@H]1COCCO1)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575264285 949421301 /nfs/dbraw/zinc/42/13/01/949421301.db2.gz NLESOBILQPGALL-ZBEGNZNMSA-N 0 1 390.419 0.358 20 0 GCADMN C[C@@H](CNC(=O)Cc1noc2ccccc12)Nc1ccncc1-c1nn[nH]n1 ZINC001574946246 949427748 /nfs/dbraw/zinc/42/77/48/949427748.db2.gz TUUWAGIJCDWETP-NSHDSACASA-N 0 1 378.396 0.984 20 0 GCADMN CC(C)n1cnc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574465097 949428078 /nfs/dbraw/zinc/42/80/78/949428078.db2.gz XGGIWKWQAVTAHK-LBPRGKRZSA-N 0 1 382.432 0.430 20 0 GCADMN C[C@@H]1[C@@H](CO)CCN1CC(=O)Nc1c(-c2nn[nH]n2)cnn1-c1ccccc1 ZINC001575867388 949433872 /nfs/dbraw/zinc/43/38/72/949433872.db2.gz JMZWSMBETVTGDF-CHWSQXEVSA-N 0 1 382.428 0.694 20 0 GCADMN C[C@@]1(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CCNC(=O)C1 ZINC001575535745 949455284 /nfs/dbraw/zinc/45/52/84/949455284.db2.gz ANDJJZGHHAKZFU-GOSISDBHSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575869939 949481586 /nfs/dbraw/zinc/48/15/86/949481586.db2.gz SRXLCWMPYNKWLY-OLZOCXBDSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575869944 949481710 /nfs/dbraw/zinc/48/17/10/949481710.db2.gz SRXLCWMPYNKWLY-QWHCGFSZSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccon1 ZINC001576157436 949482909 /nfs/dbraw/zinc/48/29/09/949482909.db2.gz QIWTWUNKZYDAGM-GTNSWQLSSA-N 0 1 383.416 0.857 20 0 GCADMN CC(C)n1nccc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470037 949489697 /nfs/dbraw/zinc/48/96/97/949489697.db2.gz LCHRBPVZDIMSKU-LBPRGKRZSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001574470420 949499228 /nfs/dbraw/zinc/49/92/28/949499228.db2.gz PUOUKBSUEWRVQG-GFCCVEGCSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)n1nccc1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001574470416 949499528 /nfs/dbraw/zinc/49/95/28/949499528.db2.gz PPMHPJLGKSVLSR-RYUDHWBXSA-N 0 1 380.416 0.537 20 0 GCADMN CC(C)n1nccc1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470483 949502514 /nfs/dbraw/zinc/50/25/14/949502514.db2.gz SKKZHSDJHDRRHB-HAQNSBGRSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@]1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575537787 949503897 /nfs/dbraw/zinc/50/38/97/949503897.db2.gz XTBJEUFUTSBBMW-VLIAUNLRSA-N 0 1 390.451 0.996 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470815 949519491 /nfs/dbraw/zinc/51/94/91/949519491.db2.gz UTFJZRUUOPJBCO-GFCCVEGCSA-N 0 1 382.432 0.690 20 0 GCADMN C[C@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnon1 ZINC001576159963 949519677 /nfs/dbraw/zinc/51/96/77/949519677.db2.gz YFPQGFUBLJLJHP-GTNSWQLSSA-N 0 1 383.416 0.857 20 0 GCADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cocn1 ZINC001576160061 949524711 /nfs/dbraw/zinc/52/47/11/949524711.db2.gz ZHJQCVBBUSZZGP-GTNSWQLSSA-N 0 1 383.416 0.857 20 0 GCADMN C[C@H](CC(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574471086 949527581 /nfs/dbraw/zinc/52/75/81/949527581.db2.gz IVHOKZNLMCRRGR-MNOVXSKESA-N 0 1 392.439 0.389 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1COCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711149 949528399 /nfs/dbraw/zinc/52/83/99/949528399.db2.gz DSSIXDONTZYXOE-ABAIWWIYSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cncc(-c2nnn[n-]2)n1 ZINC001575871966 949528528 /nfs/dbraw/zinc/52/85/28/949528528.db2.gz DFTZXEGANKSEIT-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1cncc(-c2nn[n-]n2)n1 ZINC001575871966 949528544 /nfs/dbraw/zinc/52/85/44/949528544.db2.gz DFTZXEGANKSEIT-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC1=O ZINC001575538833 949532280 /nfs/dbraw/zinc/53/22/80/949532280.db2.gz JQPJHAKKIPMCIB-DIFFPNOSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC1=O ZINC001575538833 949532293 /nfs/dbraw/zinc/53/22/93/949532293.db2.gz JQPJHAKKIPMCIB-DIFFPNOSSA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872051 949532746 /nfs/dbraw/zinc/53/27/46/949532746.db2.gz FPGZREHNXSKVRU-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872051 949532764 /nfs/dbraw/zinc/53/27/64/949532764.db2.gz FPGZREHNXSKVRU-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1COc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711486 949541041 /nfs/dbraw/zinc/54/10/41/949541041.db2.gz HTIGXQWSGMTNGN-AAEUAGOBSA-N 0 1 380.412 0.514 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711546 949542420 /nfs/dbraw/zinc/54/24/20/949542420.db2.gz IZASIDFGJDJVBO-PXAZEXFGSA-N 0 1 379.424 0.946 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574472156 949543688 /nfs/dbraw/zinc/54/36/88/949543688.db2.gz QRFPILBUWNNILR-STQMWFEESA-N 0 1 383.460 0.870 20 0 GCADMN C[C@H]1CCCC[C@@H]1OCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576163959 949546567 /nfs/dbraw/zinc/54/65/67/949546567.db2.gz DOWLXXOPPPKLBM-STQMWFEESA-N 0 1 386.460 0.735 20 0 GCADMN CC(C)n1ncnc1CNC[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574472331 949549496 /nfs/dbraw/zinc/54/94/96/949549496.db2.gz SMGPZGJIIQJYGT-GFCCVEGCSA-N 0 1 384.448 0.619 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574950797 949549750 /nfs/dbraw/zinc/54/97/50/949549750.db2.gz UMIAPPDMJTVIJF-RQJHMYQMSA-N 0 1 384.853 0.196 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCc2n[nH]cc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711809 949555115 /nfs/dbraw/zinc/55/51/15/949555115.db2.gz MLRKFUNAZIXWNH-RYUDHWBXSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001574473252 949566826 /nfs/dbraw/zinc/56/68/26/949566826.db2.gz ZFGWLOZOYPRUTR-STQMWFEESA-N 0 1 381.444 0.926 20 0 GCADMN C[C@H](NC(=O)CC1(O)CCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575269896 949568004 /nfs/dbraw/zinc/56/80/04/949568004.db2.gz XGSQDPIGSWXQQQ-STQMWFEESA-N 0 1 386.460 0.683 20 0 GCADMN CC(C)(C)[C@H](CNC(=O)CN1CCCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573810080 949569185 /nfs/dbraw/zinc/56/91/85/949569185.db2.gz YPPNUINZCIUNCN-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H](C)c1ccncc1 ZINC001574473251 949569702 /nfs/dbraw/zinc/56/97/02/949569702.db2.gz ZFGWLOZOYPRUTR-QWHCGFSZSA-N 0 1 381.444 0.926 20 0 GCADMN C[C@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166675 949587396 /nfs/dbraw/zinc/58/73/96/949587396.db2.gz NISBLUXKQZNCBJ-JSGCOSHPSA-N 0 1 384.444 0.812 20 0 GCADMN CC(C)C[C@H](C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125853 949594233 /nfs/dbraw/zinc/59/42/33/949594233.db2.gz UJRBTRIFDXZZFR-QWHCGFSZSA-N 0 1 384.448 0.479 20 0 GCADMN CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125851 949594643 /nfs/dbraw/zinc/59/46/43/949594643.db2.gz UJRBTRIFDXZZFR-CHWSQXEVSA-N 0 1 384.448 0.479 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2O1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574713262 949597726 /nfs/dbraw/zinc/59/77/26/949597726.db2.gz WQZYMJPGUMATMV-SMDDNHRTSA-N 0 1 380.412 0.341 20 0 GCADMN C[C@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001574476435 949602639 /nfs/dbraw/zinc/60/26/39/949602639.db2.gz CKUZMJQBHGHGLZ-CYBMUJFWSA-N 0 1 385.428 0.703 20 0 GCADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1c[nH]nn1 ZINC001573811787 949608139 /nfs/dbraw/zinc/60/81/39/949608139.db2.gz NKSJPGHLDCRTFA-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN CC(C)(C)[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1cnn[nH]1 ZINC001573811787 949608155 /nfs/dbraw/zinc/60/81/55/949608155.db2.gz NKSJPGHLDCRTFA-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1COC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574713896 949614779 /nfs/dbraw/zinc/61/47/79/949614779.db2.gz ZAUBEFARSJLZQB-RNCFNFMXSA-N 0 1 377.380 0.051 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001574476772 949619349 /nfs/dbraw/zinc/61/93/49/949619349.db2.gz JTTIRICGPTYKNE-STQMWFEESA-N 0 1 385.428 0.702 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573813197 949624658 /nfs/dbraw/zinc/62/46/58/949624658.db2.gz WSXDMGMHFUATFP-AAEUAGOBSA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001573813197 949624667 /nfs/dbraw/zinc/62/46/67/949624667.db2.gz WSXDMGMHFUATFP-AAEUAGOBSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@]1(C(=O)N2CCCO[C@H](CNc3ccncc3-c3nn[nH]n3)C2)CCOC1 ZINC001575547313 949626074 /nfs/dbraw/zinc/62/60/74/949626074.db2.gz XGBRFPDQSKPLDS-ACJLOTCBSA-N 0 1 387.444 0.140 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CN2CCCC2)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575876060 949638280 /nfs/dbraw/zinc/63/82/80/949638280.db2.gz IVPMKRVWBAPCEY-JSGCOSHPSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@@H](NC(=O)CCCC(N)=O)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575272145 949638353 /nfs/dbraw/zinc/63/83/53/949638353.db2.gz NZNTVEIIUUNIJK-RQJHMYQMSA-N 0 1 386.869 0.937 20 0 GCADMN CC(C)CC(C)(C)C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001574129318 949639818 /nfs/dbraw/zinc/63/98/18/949639818.db2.gz TYDSKMWAVIEJRO-CHWSQXEVSA-N 0 1 388.476 0.785 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574958044 949648513 /nfs/dbraw/zinc/64/85/13/949648513.db2.gz DINNAHMPDGZEKY-LEWSCRJBSA-N 0 1 382.403 0.938 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573815605 949656361 /nfs/dbraw/zinc/65/63/61/949656361.db2.gz JCTYZQCLMZPWDQ-STQMWFEESA-N 0 1 388.476 0.838 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001573815604 949657076 /nfs/dbraw/zinc/65/70/76/949657076.db2.gz JCTYZQCLMZPWDQ-QWHCGFSZSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169113 949661157 /nfs/dbraw/zinc/66/11/57/949661157.db2.gz FJZREXCKTQSDCO-KBPBESRZSA-N 0 1 387.492 0.459 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878140 949672618 /nfs/dbraw/zinc/67/26/18/949672618.db2.gz NLGPEFDULDQUJJ-ZIAGYGMSSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878140 949672630 /nfs/dbraw/zinc/67/26/30/949672630.db2.gz NLGPEFDULDQUJJ-ZIAGYGMSSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169366 949674348 /nfs/dbraw/zinc/67/43/48/949674348.db2.gz HBGUUTUEMSZUOY-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576169368 949675428 /nfs/dbraw/zinc/67/54/28/949675428.db2.gz HBGUUTUEMSZUOY-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001574477792 949679947 /nfs/dbraw/zinc/67/99/47/949679947.db2.gz RWNZHFAXMYFRPT-LBPRGKRZSA-N 0 1 386.416 0.098 20 0 GCADMN C[C@@H](CN(C)C(=O)CCCC(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716053 949680657 /nfs/dbraw/zinc/68/06/57/949680657.db2.gz HRQBDBCNGSKHCX-NSHDSACASA-N 0 1 377.424 0.598 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576169608 949683540 /nfs/dbraw/zinc/68/35/40/949683540.db2.gz HIGHBECSOUADJY-ZIAGYGMSSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169608 949683552 /nfs/dbraw/zinc/68/35/52/949683552.db2.gz HIGHBECSOUADJY-ZIAGYGMSSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169608 949683567 /nfs/dbraw/zinc/68/35/67/949683567.db2.gz HIGHBECSOUADJY-ZIAGYGMSSA-N 0 1 387.492 0.458 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574716149 949684155 /nfs/dbraw/zinc/68/41/55/949684155.db2.gz NEYKAPJHDUGEDD-NWDGAFQWSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574716149 949684166 /nfs/dbraw/zinc/68/41/66/949684166.db2.gz NEYKAPJHDUGEDD-NWDGAFQWSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574716151 949684396 /nfs/dbraw/zinc/68/43/96/949684396.db2.gz NEYKAPJHDUGEDD-VXGBXAGGSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574716151 949684419 /nfs/dbraw/zinc/68/44/19/949684419.db2.gz NEYKAPJHDUGEDD-VXGBXAGGSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC001576169575 949686378 /nfs/dbraw/zinc/68/63/78/949686378.db2.gz YUXTXVIDORTZHM-QWHCGFSZSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC001576169573 949686496 /nfs/dbraw/zinc/68/64/96/949686496.db2.gz YUXTXVIDORTZHM-OLZOCXBDSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880586 949702159 /nfs/dbraw/zinc/70/21/59/949702159.db2.gz UPFBCHZWORQXDF-ZJUUUORDSA-N 0 1 382.375 0.412 20 0 GCADMN C[C@H]1[C@@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575880615 949705558 /nfs/dbraw/zinc/70/55/58/949705558.db2.gz UZACTVLNHOQRTJ-GWCFXTLKSA-N 0 1 383.416 0.270 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CC1OCCCO1 ZINC001573817838 949707001 /nfs/dbraw/zinc/70/70/01/949707001.db2.gz BMSYDVAVKOZOQD-CQSZACIVSA-N 0 1 389.460 0.780 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001573818037 949711805 /nfs/dbraw/zinc/71/18/05/949711805.db2.gz FHVBZWPFKVUGJO-GFCCVEGCSA-N 0 1 385.407 0.869 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ncccc1F ZINC001573818091 949716132 /nfs/dbraw/zinc/71/61/32/949716132.db2.gz GAUXISQDJWRGJX-LLVKDONJSA-N 0 1 385.407 0.869 20 0 GCADMN C[C@@]1(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)CCOC1 ZINC001575557379 949721079 /nfs/dbraw/zinc/72/10/79/949721079.db2.gz INBZSCHQPLUXNI-FZKQIMNGSA-N 0 1 386.460 0.592 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001573818162 949723681 /nfs/dbraw/zinc/72/36/81/949723681.db2.gz HHZWENUDNNHBIV-UGSOOPFHSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@H](CN(C)C(=O)CCCC1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574717245 949728976 /nfs/dbraw/zinc/72/89/76/949728976.db2.gz OKGVPWRTUNFRHF-CYBMUJFWSA-N 0 1 388.476 0.934 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1)NC(N)=O ZINC001574479696 949739362 /nfs/dbraw/zinc/73/93/62/949739362.db2.gz FQKUIPMLVGSNTN-ZWNOBZJWSA-N 0 1 390.423 0.143 20 0 GCADMN C[C@@H]1CCCN(C(=O)CNC2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)C1 ZINC001576170910 949742042 /nfs/dbraw/zinc/74/20/42/949742042.db2.gz OJBILJMTHZBFII-GFCCVEGCSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCOC1 ZINC001575558702 949743775 /nfs/dbraw/zinc/74/37/75/949743775.db2.gz QTTSJKMZMXTMPF-FHSNZYRGSA-N 0 1 384.444 0.368 20 0 GCADMN CC(C)C[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574136380 949744731 /nfs/dbraw/zinc/74/47/31/949744731.db2.gz PAQYXUFHIKRMDG-KBPBESRZSA-N 0 1 390.492 0.985 20 0 GCADMN C[C@@H]1[C@H](NC(=O)Cc2nnc[nH]2)CCCN1c1cccc(F)c1-c1nn[nH]n1 ZINC001575882003 949748685 /nfs/dbraw/zinc/74/86/85/949748685.db2.gz FDPCXIKONPRSTA-ZYHUDNBSSA-N 0 1 385.407 0.840 20 0 GCADMN C[C@@H](CN(C)C(=O)CC[C@@]1(C)CCC(=O)N1)Nc1ccncc1-c1nn[nH]n1 ZINC001574717872 949751700 /nfs/dbraw/zinc/75/17/00/949751700.db2.gz RAPXVSQAMADUIU-KPZWWZAWSA-N 0 1 386.460 0.391 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574480511 949752467 /nfs/dbraw/zinc/75/24/67/949752467.db2.gz JHYQIEVTCHTPIF-XIKOKIGWSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574480498 949753412 /nfs/dbraw/zinc/75/34/12/949753412.db2.gz JHUQCJFFITWHRV-NXEZZACHSA-N 0 1 384.366 0.928 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573819351 949754831 /nfs/dbraw/zinc/75/48/31/949754831.db2.gz UCXICUUSDZPAKM-FZMZJTMJSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cncc(F)c1 ZINC001573819359 949754946 /nfs/dbraw/zinc/75/49/46/949754946.db2.gz UGTCAEALZJESMS-LBPRGKRZSA-N 0 1 385.407 0.869 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718061 949757139 /nfs/dbraw/zinc/75/71/39/949757139.db2.gz RWAFTCHYTNZXKM-MNOVXSKESA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCNC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718061 949757154 /nfs/dbraw/zinc/75/71/54/949757154.db2.gz RWAFTCHYTNZXKM-MNOVXSKESA-N 0 1 377.474 0.391 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@@]3(C)C2)CCOC1 ZINC001575559586 949758433 /nfs/dbraw/zinc/75/84/33/949758433.db2.gz WOECBLNTRMDXTL-VMDGZTHMSA-N 0 1 383.456 0.973 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@@]3(C)C2)CCOC1 ZINC001575559588 949760479 /nfs/dbraw/zinc/76/04/79/949760479.db2.gz WOECBLNTRMDXTL-ZNOIYHFQSA-N 0 1 383.456 0.973 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574964223 949771091 /nfs/dbraw/zinc/77/10/91/949771091.db2.gz SBKKDUSDQGCXOM-IAQYHMDHSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574481380 949774028 /nfs/dbraw/zinc/77/40/28/949774028.db2.gz PAMFORQMTGTWTD-KBPBESRZSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574481511 949781563 /nfs/dbraw/zinc/78/15/63/949781563.db2.gz QPSJCACOTBDDPZ-KGLIPLIRSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882890 949797881 /nfs/dbraw/zinc/79/78/81/949797881.db2.gz ORYXXQCOHCFBIY-ZYHUDNBSSA-N 0 1 385.457 0.829 20 0 GCADMN C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720873 949804550 /nfs/dbraw/zinc/80/45/50/949804550.db2.gz ISMXCSFOXABOLI-CQSZACIVSA-N 0 1 387.492 0.604 20 0 GCADMN C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001574482075 949820041 /nfs/dbraw/zinc/82/00/41/949820041.db2.gz ZZKOQUMUYMVMGE-LBPRGKRZSA-N 0 1 382.432 0.329 20 0 GCADMN CC1(C(=O)N[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575562300 949820556 /nfs/dbraw/zinc/82/05/56/949820556.db2.gz FIVHEVSXOVNNTC-QWHCGFSZSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@H](CNC(=O)c1[nH]ncc1C(F)(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574966109 949837387 /nfs/dbraw/zinc/83/73/87/949837387.db2.gz USJHJHQLCWHVLS-ZCFIWIBFSA-N 0 1 382.310 0.051 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575883985 949838452 /nfs/dbraw/zinc/83/84/52/949838452.db2.gz UBSMBUKPZKFCMB-YPMHNXCESA-N 0 1 382.432 0.106 20 0 GCADMN C[C@H](NC(=O)CN1CC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)C1CC1 ZINC001575283247 949858285 /nfs/dbraw/zinc/85/82/85/949858285.db2.gz DSPGAXJOJOSYPY-NWDGAFQWSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H](CC(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574484126 949861274 /nfs/dbraw/zinc/86/12/74/949861274.db2.gz VYWPZUSQYQTWNB-DGCLKSJQSA-N 0 1 382.432 0.019 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574484226 949868399 /nfs/dbraw/zinc/86/83/99/949868399.db2.gz FXLGZRCKLBDZSJ-MNOVXSKESA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574484226 949868422 /nfs/dbraw/zinc/86/84/22/949868422.db2.gz FXLGZRCKLBDZSJ-MNOVXSKESA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178463 949885863 /nfs/dbraw/zinc/88/58/63/949885863.db2.gz BPPBJNHIRXNYOO-DGCLKSJQSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccsn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178495 949890685 /nfs/dbraw/zinc/89/06/85/949890685.db2.gz BRYUHSRQRKMPAC-ZYHUDNBSSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H](CN(C)C(=O)CCn1cncn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725098 949892367 /nfs/dbraw/zinc/89/23/67/949892367.db2.gz PNVMMXLUECVIAN-LBPRGKRZSA-N 0 1 387.423 0.624 20 0 GCADMN C[C@@H](CNC(=O)c1c2c(nn1C)CCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574968334 949893013 /nfs/dbraw/zinc/89/30/13/949893013.db2.gz NWLZSUNTCPTATH-JTQLQIEISA-N 0 1 382.432 0.134 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179046 949907797 /nfs/dbraw/zinc/90/77/97/949907797.db2.gz DLIYXBNASRCKMM-WBMJQRKESA-N 0 1 381.444 0.770 20 0 GCADMN C[C@@H](CC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1)NC(N)=O ZINC001574484918 949909392 /nfs/dbraw/zinc/90/93/92/949909392.db2.gz RUXVIQQLZVSJNG-ZDUSSCGKSA-N 0 1 386.460 0.348 20 0 GCADMN C[C@]1(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)CCOC1 ZINC001575569140 949910465 /nfs/dbraw/zinc/91/04/65/949910465.db2.gz GSUFMCLGJGLYER-SGTLLEGYSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574484961 949912912 /nfs/dbraw/zinc/91/29/12/949912912.db2.gz SJOHPFQOJNTLQV-QWRGUYRKSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574484961 949912925 /nfs/dbraw/zinc/91/29/25/949912925.db2.gz SJOHPFQOJNTLQV-QWRGUYRKSA-N 0 1 392.489 0.456 20 0 GCADMN CC1CCN(C(=O)CNC2(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)CC1 ZINC001576179538 949917303 /nfs/dbraw/zinc/91/73/03/949917303.db2.gz ASHRHGBJHYSETR-UHFFFAOYSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575284909 949923729 /nfs/dbraw/zinc/92/37/29/949923729.db2.gz XBBQWPYSKRHYTD-NWDGAFQWSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575284909 949923744 /nfs/dbraw/zinc/92/37/44/949923744.db2.gz XBBQWPYSKRHYTD-NWDGAFQWSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575889089 949927074 /nfs/dbraw/zinc/92/70/74/949927074.db2.gz RSRICGUDCSOOFE-MFKMUULPSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H](NC(=O)Cc1cc(C2CC2)no1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285031 949928519 /nfs/dbraw/zinc/92/85/19/949928519.db2.gz XVELUKWQWBESPV-UWVGGRQHSA-N 0 1 383.416 0.492 20 0 GCADMN C[C@@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285135 949935135 /nfs/dbraw/zinc/93/51/35/949935135.db2.gz ZBTHFHZJXXCVCO-WDEREUQCSA-N 0 1 386.391 0.602 20 0 GCADMN C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575285230 949939112 /nfs/dbraw/zinc/93/91/12/949939112.db2.gz LWIKGVXSVJFMMY-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574726562 949940295 /nfs/dbraw/zinc/94/02/95/949940295.db2.gz KBVDVYBEXNSTGR-VXGBXAGGSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](CN(C)C(=O)CO[C@@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574726562 949940320 /nfs/dbraw/zinc/94/03/20/949940320.db2.gz KBVDVYBEXNSTGR-VXGBXAGGSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](NC(=O)CCn1ccccc1=O)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285296 949942446 /nfs/dbraw/zinc/94/24/46/949942446.db2.gz MLOCYYSBGBLNAB-STQMWFEESA-N 0 1 382.428 0.241 20 0 GCADMN C[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1)C1CC1 ZINC001575285461 949944499 /nfs/dbraw/zinc/94/44/99/949944499.db2.gz NOBUHRMDFUTXRM-NEPJUHHUSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001576180194 949945626 /nfs/dbraw/zinc/94/56/26/949945626.db2.gz CRXBGUSYPMEYHL-VXGBXAGGSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H](CN(C)C(=O)COCc1cccnc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727122 949953521 /nfs/dbraw/zinc/95/35/21/949953521.db2.gz PPAZBIMHBKZBNA-CYBMUJFWSA-N 0 1 382.428 0.554 20 0 GCADMN CC1(C(=O)NC2CCN(CCNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CC1 ZINC001575571178 949953910 /nfs/dbraw/zinc/95/39/10/949953910.db2.gz YARCECAYQRNENC-UHFFFAOYSA-N 0 1 386.460 0.305 20 0 GCADMN CC1(C)CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)C1(C)CCOCC1 ZINC001575571988 949964212 /nfs/dbraw/zinc/96/42/12/949964212.db2.gz CAKOYWYVINPGDO-GFCCVEGCSA-N 0 1 386.460 0.804 20 0 GCADMN CC(C)C[C@H](CNC(=O)CN1CCCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574148022 949970653 /nfs/dbraw/zinc/97/06/53/949970653.db2.gz IYCUIGMFGZCGHK-CYBMUJFWSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575891282 949995218 /nfs/dbraw/zinc/99/52/18/949995218.db2.gz HHIRKSMEHNYEFT-PWSUYJOCSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181334 949998352 /nfs/dbraw/zinc/99/83/52/949998352.db2.gz TXFFEEOOJIOCDF-CMPLNLGQSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001574490571 950001185 /nfs/dbraw/zinc/00/11/85/950001185.db2.gz VJUPLKOPZXKBGH-AAEUAGOBSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@H](CN(C)C(=O)Cc1c(F)cccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574728742 950005588 /nfs/dbraw/zinc/00/55/88/950005588.db2.gz IVDXJTVTYCPZMT-SNVBAGLBSA-N 0 1 388.382 0.858 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891521 950012092 /nfs/dbraw/zinc/01/20/92/950012092.db2.gz KSWQHCNBZMDESQ-PWSUYJOCSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@@]1(C(=O)NC[C@H](CO)Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCOC1 ZINC001575574525 950023891 /nfs/dbraw/zinc/02/38/91/950023891.db2.gz VVADLQQJOZXZFU-FUXBKTLASA-N 0 1 387.853 0.292 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150277 950026528 /nfs/dbraw/zinc/02/65/28/950026528.db2.gz AWWKVURTKMXUHU-PWSUYJOCSA-N 0 1 392.489 0.230 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CNC(=O)N1 ZINC001574150277 950026548 /nfs/dbraw/zinc/02/65/48/950026548.db2.gz AWWKVURTKMXUHU-PWSUYJOCSA-N 0 1 392.489 0.230 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnns2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182189 950036810 /nfs/dbraw/zinc/03/68/10/950036810.db2.gz NMHVGYGHBZCSBK-ZWNOBZJWSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001574975636 950037180 /nfs/dbraw/zinc/03/71/80/950037180.db2.gz XWUUKFUCGDLHLU-BXUZGUMPSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccncc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182212 950038573 /nfs/dbraw/zinc/03/85/73/950038573.db2.gz NPCLNGMOPFPRTC-TZMCWYRMSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@]1(C(=O)NCC2(NCc3ccc(-c4nn[nH]n4)cc3F)CC2)CCNC1=O ZINC001575575785 950055634 /nfs/dbraw/zinc/05/56/34/950055634.db2.gz LNCVIDIZDBMIER-KRWDZBQOSA-N 0 1 387.419 0.270 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182598 950058942 /nfs/dbraw/zinc/05/89/42/950058942.db2.gz ORSNZGKOCAEHEG-VXGBXAGGSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576182726 950058984 /nfs/dbraw/zinc/05/89/84/950058984.db2.gz PDMZRFPORQUNNK-NHYWBVRUSA-N 0 1 383.416 0.810 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576182723 950061737 /nfs/dbraw/zinc/06/17/37/950061737.db2.gz PDMZRFPORQUNNK-IAQYHMDHSA-N 0 1 383.416 0.810 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1ncnn1 ZINC001574151257 950063040 /nfs/dbraw/zinc/06/30/40/950063040.db2.gz OHTYCEQWXPPXDY-NSHDSACASA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1ncnn1 ZINC001574151257 950063060 /nfs/dbraw/zinc/06/30/60/950063060.db2.gz OHTYCEQWXPPXDY-NSHDSACASA-N 0 1 390.477 0.235 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182836 950065191 /nfs/dbraw/zinc/06/51/91/950065191.db2.gz PQNPTRZJQIKFCL-QMTHXVAHSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182835 950066107 /nfs/dbraw/zinc/06/61/07/950066107.db2.gz PQNPTRZJQIKFCL-IINYFYTJSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1ccnc(N(C)C)c1 ZINC001574976365 950068395 /nfs/dbraw/zinc/06/83/95/950068395.db2.gz RETBWBMUXJJHEA-LBPRGKRZSA-N 0 1 383.460 0.906 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cnnn1 ZINC001574151350 950068677 /nfs/dbraw/zinc/06/86/77/950068677.db2.gz PQMNQXXLKFHNRB-LLVKDONJSA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cnnn1 ZINC001574151350 950068706 /nfs/dbraw/zinc/06/87/06/950068706.db2.gz PQMNQXXLKFHNRB-LLVKDONJSA-N 0 1 390.477 0.235 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574732450 950070880 /nfs/dbraw/zinc/07/08/80/950070880.db2.gz IOCVUPQHPFDEHC-YGRLFVJLSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1ccnc(N(C)C)c1 ZINC001574976364 950071701 /nfs/dbraw/zinc/07/17/01/950071701.db2.gz RETBWBMUXJJHEA-GFCCVEGCSA-N 0 1 383.460 0.906 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2cnoc2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183802 950106014 /nfs/dbraw/zinc/10/60/14/950106014.db2.gz REMXBYBDVDMNLA-AAEUAGOBSA-N 0 1 383.416 0.206 20 0 GCADMN C[C@]1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCCC2)CCOC1 ZINC001575582302 950111592 /nfs/dbraw/zinc/11/15/92/950111592.db2.gz ILOZGSIXFINOGI-KRWDZBQOSA-N 0 1 386.460 0.736 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576184133 950119886 /nfs/dbraw/zinc/11/98/86/950119886.db2.gz ULJFDXSTEORRKW-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576184133 950119903 /nfs/dbraw/zinc/11/99/03/950119903.db2.gz ULJFDXSTEORRKW-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)CCCOC1 ZINC001575582861 950130614 /nfs/dbraw/zinc/13/06/14/950130614.db2.gz HYPIKEXGEQZRQB-FIIQBIKZSA-N 0 1 383.456 0.877 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1nc[nH]n1 ZINC001574153173 950131052 /nfs/dbraw/zinc/13/10/52/950131052.db2.gz ORNZHZANRFVEJP-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H]1CCN(C(=O)c2cn(C)cn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190534 950162447 /nfs/dbraw/zinc/16/24/47/950162447.db2.gz AKRDXNTXEOMCIF-NWDGAFQWSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1CC[NH+](C)CC1 ZINC001574154402 950168974 /nfs/dbraw/zinc/16/89/74/950168974.db2.gz DVDBRPADVLELJT-CQSZACIVSA-N 0 1 387.492 0.363 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574982615 950174498 /nfs/dbraw/zinc/17/44/98/950174498.db2.gz FQUOLDVUQMSRRA-RXMQYKEDSA-N 0 1 381.809 0.290 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC1OCCCO1 ZINC001574155038 950181602 /nfs/dbraw/zinc/18/16/02/950181602.db2.gz IJKMOXXFEOMJMP-GFCCVEGCSA-N 0 1 390.448 0.175 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191098 950182816 /nfs/dbraw/zinc/18/28/16/950182816.db2.gz DNGCTGMRSQKHJD-STQMWFEESA-N 0 1 381.444 0.627 20 0 GCADMN CC(C)(C)CCNC(=O)CNC1(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573844091 950185355 /nfs/dbraw/zinc/18/53/55/950185355.db2.gz AMSYQVPKMMUHLT-UHFFFAOYSA-N 0 1 388.476 0.599 20 0 GCADMN CC1(C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)CCOCC1 ZINC001575585210 950190464 /nfs/dbraw/zinc/19/04/64/950190464.db2.gz XLTUIAREJKZCSQ-XMQYKBBCSA-N 0 1 383.456 0.877 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@H]1CCCOC1 ZINC001574155635 950200759 /nfs/dbraw/zinc/20/07/59/950200759.db2.gz PIPNMRYTZJXPOM-KGLIPLIRSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191602 950206487 /nfs/dbraw/zinc/20/64/87/950206487.db2.gz HIKDPLLROGBTSA-NWDGAFQWSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC1=O ZINC001575586406 950217191 /nfs/dbraw/zinc/21/71/91/950217191.db2.gz HMNLZIQKSQSATC-APPDUMDISA-N 0 1 389.485 0.393 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCNC1=O ZINC001575586406 950217203 /nfs/dbraw/zinc/21/72/03/950217203.db2.gz HMNLZIQKSQSATC-APPDUMDISA-N 0 1 389.485 0.393 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC1=O ZINC001575586406 950217223 /nfs/dbraw/zinc/21/72/23/950217223.db2.gz HMNLZIQKSQSATC-APPDUMDISA-N 0 1 389.485 0.393 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C2)CCNC1=O ZINC001575586406 950217241 /nfs/dbraw/zinc/21/72/41/950217241.db2.gz HMNLZIQKSQSATC-APPDUMDISA-N 0 1 389.485 0.393 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001574155995 950217667 /nfs/dbraw/zinc/21/76/67/950217667.db2.gz TXNOMLFWDIBPQS-ZBEGNZNMSA-N 0 1 378.412 0.150 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccn2C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191970 950220950 /nfs/dbraw/zinc/22/09/50/950220950.db2.gz KXSLSMKQRQNSSN-CHWSQXEVSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)c1cnn(C)c1 ZINC001574497059 950224338 /nfs/dbraw/zinc/22/43/38/950224338.db2.gz YRYNQDNUIDICAI-RYUDHWBXSA-N 0 1 384.448 0.525 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1CNCc1csnn1 ZINC001576192047 950224702 /nfs/dbraw/zinc/22/47/02/950224702.db2.gz LHBPYYPDGLGUPI-MNOVXSKESA-N 0 1 387.473 0.934 20 0 GCADMN CC(C)(C)CNC(=O)CN1CC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845533 950231550 /nfs/dbraw/zinc/23/15/50/950231550.db2.gz GLEMTXQWWHQFRE-GFCCVEGCSA-N 0 1 388.476 0.409 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574497353 950232240 /nfs/dbraw/zinc/23/22/40/950232240.db2.gz ZQUFQRDTVNQJTC-NEPJUHHUSA-N 0 1 376.465 0.430 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574157462 950235827 /nfs/dbraw/zinc/23/58/27/950235827.db2.gz BRPATYMYBWVRKG-OLZOCXBDSA-N 0 1 386.460 0.105 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574157464 950236072 /nfs/dbraw/zinc/23/60/72/950236072.db2.gz BRPATYMYBWVRKG-QWHCGFSZSA-N 0 1 386.460 0.105 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576192366 950241099 /nfs/dbraw/zinc/24/10/99/950241099.db2.gz MCCKEKRTPRVSOK-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576192366 950241111 /nfs/dbraw/zinc/24/11/11/950241111.db2.gz MCCKEKRTPRVSOK-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576192366 950241125 /nfs/dbraw/zinc/24/11/25/950241125.db2.gz MCCKEKRTPRVSOK-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576192366 950241140 /nfs/dbraw/zinc/24/11/40/950241140.db2.gz MCCKEKRTPRVSOK-OCCSQVGLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cnccn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192409 950243347 /nfs/dbraw/zinc/24/33/47/950243347.db2.gz MVWQWKWERSTDAM-CHWSQXEVSA-N 0 1 379.428 0.684 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575588733 950249763 /nfs/dbraw/zinc/24/97/63/950249763.db2.gz RJTMCAONCMLTNU-SGTLLEGYSA-N 0 1 384.444 0.121 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574984094 950256188 /nfs/dbraw/zinc/25/61/88/950256188.db2.gz WLJWAUHHVVRNBN-NSHDSACASA-N 0 1 391.395 0.964 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cncc(F)c1 ZINC001574157943 950262265 /nfs/dbraw/zinc/26/22/65/950262265.db2.gz LLTYUZVOHNHVIN-CYBMUJFWSA-N 0 1 385.407 0.869 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cnnn2C)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192806 950267666 /nfs/dbraw/zinc/26/76/66/950267666.db2.gz PFRNGTKSPYPYOG-NEPJUHHUSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(=O)[nH]c1 ZINC001574158139 950270714 /nfs/dbraw/zinc/27/07/14/950270714.db2.gz OVCAUCXKEXVIRZ-LBPRGKRZSA-N 0 1 383.416 0.436 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574158216 950273611 /nfs/dbraw/zinc/27/36/11/950273611.db2.gz OYTMLPGIWNLAGQ-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574158216 950273628 /nfs/dbraw/zinc/27/36/28/950273628.db2.gz OYTMLPGIWNLAGQ-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC1(C(=O)NCCN2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCCC1 ZINC001575592267 950282854 /nfs/dbraw/zinc/28/28/54/950282854.db2.gz 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C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576205017 950491072 /nfs/dbraw/zinc/49/10/72/950491072.db2.gz FPQDWNWSMVLNMS-ZIAGYGMSSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576205017 950491083 /nfs/dbraw/zinc/49/10/83/950491083.db2.gz FPQDWNWSMVLNMS-ZIAGYGMSSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576205017 950491099 /nfs/dbraw/zinc/49/10/99/950491099.db2.gz FPQDWNWSMVLNMS-ZIAGYGMSSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576205185 950500345 /nfs/dbraw/zinc/50/03/45/950500345.db2.gz GWPAHAPKIMLGHX-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576205185 950500366 /nfs/dbraw/zinc/50/03/66/950500366.db2.gz GWPAHAPKIMLGHX-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN CC(C)(C)OCC(=O)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001573866443 950501363 /nfs/dbraw/zinc/50/13/63/950501363.db2.gz CFLDUINAMVSJKN-QWHCGFSZSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574995260 950502774 /nfs/dbraw/zinc/50/27/74/950502774.db2.gz CPNMMSIXBPWKPX-SNVBAGLBSA-N 0 1 384.448 0.932 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001576205405 950511783 /nfs/dbraw/zinc/51/17/83/950511783.db2.gz IOWUDSTWUSMYTP-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3cncc(-c4nn[n-]n4)n3)CC2(C)C)C1 ZINC001576205405 950511806 /nfs/dbraw/zinc/51/18/06/950511806.db2.gz IOWUDSTWUSMYTP-GXTWGEPZSA-N 0 1 385.476 0.330 20 0 GCADMN CC(C)(C)OCC(=O)N1CC[C@@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573866759 950513536 /nfs/dbraw/zinc/51/35/36/950513536.db2.gz LJFDFEFEQFEEHF-QWHCGFSZSA-N 0 1 386.460 0.899 20 0 GCADMN CC1CCN(CC(=O)NC[C@H]2CCN2C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001576205426 950519792 /nfs/dbraw/zinc/51/97/92/950519792.db2.gz IVCZKRXVYXEPCK-CQSZACIVSA-N 0 1 386.460 0.257 20 0 GCADMN CC(C)[C@@H](CCNC(=O)C[C@@H](C)NC(N)=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574509618 950522365 /nfs/dbraw/zinc/52/23/65/950522365.db2.gz TXVCUKANSIEOGU-DGCLKSJQSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574996671 950529144 /nfs/dbraw/zinc/52/91/44/950529144.db2.gz OBQWWHUNKVTZBA-SNVBAGLBSA-N 0 1 386.391 0.008 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)C1 ZINC001576205660 950532367 /nfs/dbraw/zinc/53/23/67/950532367.db2.gz LWNOJYRHSONLHP-TZMCWYRMSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CN(c3cnc(-c4nn[n-]n4)cn3)CC2(C)C)C1 ZINC001576205660 950532375 /nfs/dbraw/zinc/53/23/75/950532375.db2.gz LWNOJYRHSONLHP-TZMCWYRMSA-N 0 1 385.476 0.330 20 0 GCADMN CC1CCN(CC(=O)NC[C@@H]2CCN(c3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001576206018 950551941 /nfs/dbraw/zinc/55/19/41/950551941.db2.gz SQJRUMDSAZGSHL-HNNXBMFYSA-N 0 1 384.488 0.936 20 0 GCADMN CC(C)CCC(=O)N1CCC(N(CCO)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574171834 950569765 /nfs/dbraw/zinc/56/97/65/950569765.db2.gz UUSUMHFZKRAYCK-UHFFFAOYSA-N 0 1 388.476 0.883 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576206656 950575548 /nfs/dbraw/zinc/57/55/48/950575548.db2.gz YPQMBFLWYUZSPD-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576206656 950575566 /nfs/dbraw/zinc/57/55/66/950575566.db2.gz YPQMBFLWYUZSPD-KGLIPLIRSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1cc2n(n1)CCCC2 ZINC001574754622 950576361 /nfs/dbraw/zinc/57/63/61/950576361.db2.gz NRGVYNPKVMLQLL-GFCCVEGCSA-N 0 1 383.460 0.978 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574999741 950590947 /nfs/dbraw/zinc/59/09/47/950590947.db2.gz MSFGPVSVAZBFLI-SSDOTTSWSA-N 0 1 378.347 0.572 20 0 GCADMN C[C@H](CNC(=O)c1cc(=O)[nH]c(C2CC2)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575000079 950592217 /nfs/dbraw/zinc/59/22/17/950592217.db2.gz OVZXYCMKGCLMKN-SECBINFHSA-N 0 1 381.400 0.287 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1ccccc1 ZINC001574755318 950596217 /nfs/dbraw/zinc/59/62/17/950596217.db2.gz UNBMYNDWVFOELU-GFCCVEGCSA-N 0 1 382.428 0.884 20 0 GCADMN CC(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)n1 ZINC001575918504 950597250 /nfs/dbraw/zinc/59/72/50/950597250.db2.gz CVHFYGURWDODBS-VXGBXAGGSA-N 0 1 382.432 0.571 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1ccccc1 ZINC001574755319 950597283 /nfs/dbraw/zinc/59/72/83/950597283.db2.gz UNBMYNDWVFOELU-LBPRGKRZSA-N 0 1 382.428 0.884 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cc1ncccc1F ZINC001575919028 950605474 /nfs/dbraw/zinc/60/54/74/950605474.db2.gz FNOFOYRPYUTXTM-ZYHUDNBSSA-N 0 1 383.391 0.257 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccn(CC(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574758397 950606734 /nfs/dbraw/zinc/60/67/34/950606734.db2.gz BYTMSDRHZVMESK-JTQLQIEISA-N 0 1 391.386 0.718 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)C1 ZINC001576208449 950609646 /nfs/dbraw/zinc/60/96/46/950609646.db2.gz QBOCAOKFPCTBOC-MGPQQGTHSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)C1 ZINC001576208449 950609665 /nfs/dbraw/zinc/60/96/65/950609665.db2.gz QBOCAOKFPCTBOC-MGPQQGTHSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cccc2[nH]ncc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574758748 950616715 /nfs/dbraw/zinc/61/67/15/950616715.db2.gz GGAOEIMZECWZLI-JTQLQIEISA-N 0 1 378.400 0.528 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cc1ccc(F)cc1 ZINC001575919639 950620912 /nfs/dbraw/zinc/62/09/12/950620912.db2.gz JCQYNSWEKDNFEO-SMDDNHRTSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cncc(Cl)c1 ZINC001575919859 950623158 /nfs/dbraw/zinc/62/31/58/950623158.db2.gz KQQGYMBCZRFZIP-SKDRFNHKSA-N 0 1 385.819 0.842 20 0 GCADMN CC1(C)C(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1(C)C ZINC001575619885 950628210 /nfs/dbraw/zinc/62/82/10/950628210.db2.gz SSZAJBUKFPZLIY-GOSISDBHSA-N 0 1 386.460 0.396 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccn1 ZINC001574515645 950629342 /nfs/dbraw/zinc/62/93/42/950629342.db2.gz CYBPTFCOMJIBSI-FJJYHAOUSA-N 0 1 380.416 0.055 20 0 GCADMN CC[N@H+]1CC[C@@H](CNC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001589742969 950632142 /nfs/dbraw/zinc/63/21/42/950632142.db2.gz YBYJSXDNWWNUEE-UGSOOPFHSA-N 0 1 385.461 0.535 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2cc[nH]c2n1 ZINC001575922524 950646487 /nfs/dbraw/zinc/64/64/87/950646487.db2.gz PPWMFIYOVSXKNR-PWSUYJOCSA-N 0 1 390.411 0.670 20 0 GCADMN C[C@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575002036 950648694 /nfs/dbraw/zinc/64/86/94/950648694.db2.gz YQQWCQIKXOUTDL-QMMMGPOBSA-N 0 1 390.358 0.284 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C(N)=O)cc1 ZINC001575922764 950649684 /nfs/dbraw/zinc/64/96/84/950649684.db2.gz AKJJJISVCPKKTI-ABAIWWIYSA-N 0 1 392.423 0.498 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1ccncc1 ZINC001575923274 950654563 /nfs/dbraw/zinc/65/45/63/950654563.db2.gz QDBRWZWDARHWJA-OCCSQVGLSA-N 0 1 379.428 0.508 20 0 GCADMN C[C@H](CNC(=O)c1cc(F)c(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575002571 950662810 /nfs/dbraw/zinc/66/28/10/950662810.db2.gz VJTMALVMDLQSAL-SSDOTTSWSA-N 0 1 378.318 0.726 20 0 GCADMN C[C@H](CN(C)C(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574760335 950664580 /nfs/dbraw/zinc/66/45/80/950664580.db2.gz ISBXYUBMHOWQCI-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CN(C)C(=O)c1cn(C)ccc1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574760335 950664588 /nfs/dbraw/zinc/66/45/88/950664588.db2.gz ISBXYUBMHOWQCI-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccn(C)n1 ZINC001575924075 950666567 /nfs/dbraw/zinc/66/65/67/950666567.db2.gz DPQOYLZIEDGTOB-DOMZBBRYSA-N 0 1 381.444 0.451 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccn(C(F)F)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760531 950668684 /nfs/dbraw/zinc/66/86/84/950668684.db2.gz WOBGVUZPFNXNGN-QMMMGPOBSA-N 0 1 378.347 0.243 20 0 GCADMN C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576214496 950670292 /nfs/dbraw/zinc/67/02/92/950670292.db2.gz AWMSWGRFCQUXRZ-YGRLFVJLSA-N 0 1 382.432 0.038 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(C)c1Cl ZINC001575924274 950671209 /nfs/dbraw/zinc/67/12/09/950671209.db2.gz FDCHWSXIMKSNQL-BXKDBHETSA-N 0 1 387.835 0.786 20 0 GCADMN C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576214494 950671219 /nfs/dbraw/zinc/67/12/19/950671219.db2.gz AWMSWGRFCQUXRZ-IINYFYTJSA-N 0 1 382.432 0.038 20 0 GCADMN C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576214840 950683742 /nfs/dbraw/zinc/68/37/42/950683742.db2.gz CPQGOCSJBYUWQC-YGRLFVJLSA-N 0 1 382.432 0.298 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574519626 950689483 /nfs/dbraw/zinc/68/94/83/950689483.db2.gz XFQYBFMPDTZPCB-FPMFFAJLSA-N 0 1 379.428 0.727 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1n[nH]c2c1CCC2 ZINC001575925704 950689866 /nfs/dbraw/zinc/68/98/66/950689866.db2.gz HXXOQUYLNAPXBL-GXFFZTMASA-N 0 1 379.428 0.611 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574519630 950691340 /nfs/dbraw/zinc/69/13/40/950691340.db2.gz XFQYBFMPDTZPCB-UBHSHLNASA-N 0 1 379.428 0.727 20 0 GCADMN CC(C)n1cnc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1 ZINC001575925782 950691914 /nfs/dbraw/zinc/69/19/14/950691914.db2.gz UUVHPWCQUCIXSZ-VXGBXAGGSA-N 0 1 382.432 0.571 20 0 GCADMN C[C@H](CN(C)C(=O)c1cn2c(n1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574762140 950698783 /nfs/dbraw/zinc/69/87/83/950698783.db2.gz VSPYOXRMWRFWHT-LLVKDONJSA-N 0 1 382.432 0.184 20 0 GCADMN C[C@@H](CN(C)C(=O)C1=NC(=O)N(C)C1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574762133 950700034 /nfs/dbraw/zinc/70/00/34/950700034.db2.gz VONVKGVXDUFLOA-QMMMGPOBSA-N 0 1 391.823 0.927 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576215771 950710113 /nfs/dbraw/zinc/71/01/13/950710113.db2.gz GGWWUPTYXURFRA-NWDGAFQWSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ccc(F)cn1 ZINC001575926459 950710941 /nfs/dbraw/zinc/71/09/41/950710941.db2.gz KDWISWAUQFNCAX-IAQYHMDHSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn2ccncc12)Nc1ccncc1-c1nn[nH]n1 ZINC001574763428 950711838 /nfs/dbraw/zinc/71/18/38/950711838.db2.gz AUDSJHBTEHOUQQ-NSHDSACASA-N 0 1 378.400 0.299 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn2ccncc12)Nc1ccncc1-c1nn[nH]n1 ZINC001574763427 950714633 /nfs/dbraw/zinc/71/46/33/950714633.db2.gz AUDSJHBTEHOUQQ-LLVKDONJSA-N 0 1 378.400 0.299 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575006231 950717036 /nfs/dbraw/zinc/71/70/36/950717036.db2.gz TVJIEQRBYHGSCX-SNVBAGLBSA-N 0 1 388.457 0.767 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCO2)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575006231 950717051 /nfs/dbraw/zinc/71/70/51/950717051.db2.gz TVJIEQRBYHGSCX-SNVBAGLBSA-N 0 1 388.457 0.767 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnn(C(F)F)c1 ZINC001575926656 950719309 /nfs/dbraw/zinc/71/93/09/950719309.db2.gz YAMHLDNXPLEIRZ-PSASIEDQSA-N 0 1 390.358 0.385 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1cncs1 ZINC001575926895 950727991 /nfs/dbraw/zinc/72/79/91/950727991.db2.gz ZAFONMWUSYJUNB-CMPLNLGQSA-N 0 1 385.457 0.569 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnc2cc[nH]c2c1 ZINC001575927064 950729825 /nfs/dbraw/zinc/72/98/25/950729825.db2.gz ZWZBBOVHWNCPGB-PWSUYJOCSA-N 0 1 390.411 0.670 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1nccs1 ZINC001575927047 950731120 /nfs/dbraw/zinc/73/11/20/950731120.db2.gz ZUUPYLGVDRIXQC-MNOVXSKESA-N 0 1 385.457 0.569 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccn(C(F)F)n1 ZINC001575927019 950731239 /nfs/dbraw/zinc/73/12/39/950731239.db2.gz ZSAJGPGQOKCKHS-BDAKNGLRSA-N 0 1 390.358 0.385 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc(=O)n1C ZINC001575927623 950747287 /nfs/dbraw/zinc/74/72/87/950747287.db2.gz QWTXYIVXXHDYOL-WCQYABFASA-N 0 1 380.412 0.097 20 0 GCADMN C[C@H]1[C@H](Nc2cnc(-c3nnn[n-]3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575927695 950753185 /nfs/dbraw/zinc/75/31/85/950753185.db2.gz SHLQYYUDDCTELW-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575927695 950753198 /nfs/dbraw/zinc/75/31/98/950753198.db2.gz SHLQYYUDDCTELW-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574764700 950758436 /nfs/dbraw/zinc/75/84/36/950758436.db2.gz WRCHJZGGRRSCBQ-LLVKDONJSA-N 0 1 381.444 0.867 20 0 GCADMN C[C@H]1CCn2cc(C(=O)NCCCNc3ccncc3-c3nn[nH]n3)nc2C1 ZINC001576219737 950815162 /nfs/dbraw/zinc/81/51/62/950815162.db2.gz UBNUBNCYKFROLJ-LBPRGKRZSA-N 0 1 381.444 0.694 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)[C@@H]1CCN(C2CCC2)C1=O ZINC001575010614 950825610 /nfs/dbraw/zinc/82/56/10/950825610.db2.gz GQFCBWRFKKXERT-IAQYHMDHSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1nc[nH]n1 ZINC001575933276 950841649 /nfs/dbraw/zinc/84/16/49/950841649.db2.gz NTQJJBKUSIQJGD-RITPCOANSA-N 0 1 380.825 0.810 20 0 GCADMN C[C@@H]1[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575933743 950843697 /nfs/dbraw/zinc/84/36/97/950843697.db2.gz PMBXLZBGULDMLB-RITPCOANSA-N 0 1 380.825 0.810 20 0 GCADMN C[C@@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1=NC(=O)N(C)C1 ZINC001575934382 950855452 /nfs/dbraw/zinc/85/54/52/950855452.db2.gz RBHKIRBDOSAHCJ-KCJUWKMLSA-N 0 1 387.379 0.555 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576221564 950858071 /nfs/dbraw/zinc/85/80/71/950858071.db2.gz VNWABQJFADYZDN-OCCSQVGLSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573888144 950859286 /nfs/dbraw/zinc/85/92/86/950859286.db2.gz PEXOAPHNTMGVIW-MGCOHNPYSA-N 0 1 383.416 0.737 20 0 GCADMN C[C@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767975 950873958 /nfs/dbraw/zinc/87/39/58/950873958.db2.gz WHXVLKGJDGBZLW-MRVPVSSYSA-N 0 1 375.343 0.324 20 0 GCADMN C[C@@H](CN(C)C(=O)c1csc(Cl)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767963 950875186 /nfs/dbraw/zinc/87/51/86/950875186.db2.gz VVCKMPJDHOYYJW-ZETCQYMHSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CNC(=O)C1CC1 ZINC001574524890 950876098 /nfs/dbraw/zinc/87/60/98/950876098.db2.gz ZZSYKKUXUBPTSD-QWRGUYRKSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CNC(=O)C1CC1 ZINC001574524890 950876117 /nfs/dbraw/zinc/87/61/17/950876117.db2.gz ZZSYKKUXUBPTSD-QWRGUYRKSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576225999 950876145 /nfs/dbraw/zinc/87/61/45/950876145.db2.gz AJTGBBJDYHFQCB-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576225999 950876161 /nfs/dbraw/zinc/87/61/61/950876161.db2.gz AJTGBBJDYHFQCB-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ncc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767977 950876260 /nfs/dbraw/zinc/87/62/60/950876260.db2.gz WHXVLKGJDGBZLW-QMMMGPOBSA-N 0 1 375.343 0.324 20 0 GCADMN CC(C)(C)n1ncnc1CN[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573893358 950879016 /nfs/dbraw/zinc/87/90/16/950879016.db2.gz BHCCPXUJXCVTJR-XYPYZODXSA-N 0 1 384.448 0.592 20 0 GCADMN CC1(C)C[C@H](NC(=O)CC(N)=O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575639894 950879433 /nfs/dbraw/zinc/87/94/33/950879433.db2.gz CPSDECFPEHLUDK-LLVKDONJSA-N 0 1 391.501 0.910 20 0 GCADMN CC1(C)C[C@H](NC(=O)CC(N)=O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575639894 950879457 /nfs/dbraw/zinc/87/94/57/950879457.db2.gz CPSDECFPEHLUDK-LLVKDONJSA-N 0 1 391.501 0.910 20 0 GCADMN CC1(C)C[C@H](NC(=O)CC(N)=O)CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575639894 950879467 /nfs/dbraw/zinc/87/94/67/950879467.db2.gz CPSDECFPEHLUDK-LLVKDONJSA-N 0 1 391.501 0.910 20 0 GCADMN CC1(C)C[C@H](NC(=O)CC(N)=O)CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575639894 950879486 /nfs/dbraw/zinc/87/94/86/950879486.db2.gz CPSDECFPEHLUDK-LLVKDONJSA-N 0 1 391.501 0.910 20 0 GCADMN C[C@@H](CN(C)C(=O)c1noc2c1COCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574768311 950886128 /nfs/dbraw/zinc/88/61/28/950886128.db2.gz UESQHWFEGKYKIO-JTQLQIEISA-N 0 1 384.400 0.317 20 0 GCADMN CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1 ZINC001590208425 950887946 /nfs/dbraw/zinc/88/79/46/950887946.db2.gz LSMLDPINQQLJLR-ZBFHGGJFSA-N 0 1 378.425 0.779 20 0 GCADMN CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1 ZINC001590208425 950887962 /nfs/dbraw/zinc/88/79/62/950887962.db2.gz LSMLDPINQQLJLR-ZBFHGGJFSA-N 0 1 378.425 0.779 20 0 GCADMN C[C@@H]1CN(C(=O)C2CCC2)C[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576226865 950891924 /nfs/dbraw/zinc/89/19/24/950891924.db2.gz CLHUGDHWOZNVAI-XIKOKIGWSA-N 0 1 384.444 0.653 20 0 GCADMN CC(C)(C)n1cnc(C(=O)N[C@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001573893656 950895606 /nfs/dbraw/zinc/89/56/06/950895606.db2.gz PMZQEXZYRDLGDL-XYPYZODXSA-N 0 1 382.432 0.403 20 0 GCADMN CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001590209592 950898363 /nfs/dbraw/zinc/89/83/63/950898363.db2.gz XNABVKKKLFHRKN-MLBPIDQTSA-N 0 1 382.457 0.790 20 0 GCADMN CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)C1 ZINC001590209592 950898376 /nfs/dbraw/zinc/89/83/76/950898376.db2.gz XNABVKKKLFHRKN-MLBPIDQTSA-N 0 1 382.457 0.790 20 0 GCADMN CC(C)CCCC(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574190364 950914086 /nfs/dbraw/zinc/91/40/86/950914086.db2.gz XFPANWMDTZGXTN-SFHVURJKSA-N 0 1 388.476 0.931 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574528115 950927226 /nfs/dbraw/zinc/92/72/26/950927226.db2.gz LGHOJJFOYWSMLT-ZJUUUORDSA-N 0 1 389.489 0.931 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574528115 950927246 /nfs/dbraw/zinc/92/72/46/950927246.db2.gz LGHOJJFOYWSMLT-ZJUUUORDSA-N 0 1 389.489 0.931 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576228063 950930235 /nfs/dbraw/zinc/93/02/35/950930235.db2.gz IMFRLYMVMRCANE-JSGCOSHPSA-N 0 1 385.476 0.069 20 0 GCADMN CC1(C)C[C@@H](NC(=O)[C@@H]2CCCO2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643105 950959785 /nfs/dbraw/zinc/95/97/85/950959785.db2.gz XXWIYLYICQUVCD-STQMWFEESA-N 0 1 386.460 0.947 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnnn1C ZINC001574530193 950969749 /nfs/dbraw/zinc/96/97/49/950969749.db2.gz TWSCWFZAZHOKOS-NXEZZACHSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnnn1C ZINC001574530193 950969760 /nfs/dbraw/zinc/96/97/60/950969760.db2.gz TWSCWFZAZHOKOS-NXEZZACHSA-N 0 1 375.462 0.743 20 0 GCADMN CC(C)CCCCCC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001574195214 950974015 /nfs/dbraw/zinc/97/40/15/950974015.db2.gz JEBMYCKMYHDFQI-KGLIPLIRSA-N 0 1 388.476 0.929 20 0 GCADMN CC(C)(CC(F)(F)F)C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001573899527 950980350 /nfs/dbraw/zinc/98/03/50/950980350.db2.gz BUGFAJGUZOEIPT-VIFPVBQESA-N 0 1 387.366 0.551 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)[nH]n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575017468 950995537 /nfs/dbraw/zinc/99/55/37/950995537.db2.gz GRMPSJFUTQLNPD-RXMQYKEDSA-N 0 1 381.809 0.703 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)[nH]n1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575017484 951001337 /nfs/dbraw/zinc/00/13/37/951001337.db2.gz GSHCAKLEGHMZKS-JTQLQIEISA-N 0 1 386.391 0.752 20 0 GCADMN CC(C)CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001574195615 951002348 /nfs/dbraw/zinc/00/23/48/951002348.db2.gz UWTPOWJAHQRMMG-ZIAGYGMSSA-N 0 1 388.476 0.929 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)c1cnccc1N(C)C ZINC001575018433 951020673 /nfs/dbraw/zinc/02/06/73/951020673.db2.gz QCJQJEXLEGDSAK-SNVBAGLBSA-N 0 1 383.416 0.204 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575019490 951040188 /nfs/dbraw/zinc/04/01/88/951040188.db2.gz TZOXQUXHGHYYPD-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575019490 951040204 /nfs/dbraw/zinc/04/02/04/951040204.db2.gz TZOXQUXHGHYYPD-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)N(C)c1ccccc1 ZINC001575019943 951051372 /nfs/dbraw/zinc/05/13/72/951051372.db2.gz WWZBFWHFZBCSOJ-LBPRGKRZSA-N 0 1 382.428 0.566 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)CCN2C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024384 951102168 /nfs/dbraw/zinc/10/21/68/951102168.db2.gz CNTKIPSWGFWIJO-NSHDSACASA-N 0 1 379.428 0.301 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575026222 951140264 /nfs/dbraw/zinc/14/02/64/951140264.db2.gz HAHFUEUNNUSJOC-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575026222 951140268 /nfs/dbraw/zinc/14/02/68/951140268.db2.gz HAHFUEUNNUSJOC-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CO1 ZINC001595002081 951142627 /nfs/dbraw/zinc/14/26/27/951142627.db2.gz ROJFOGVZQZDZKY-BRWVUGGUSA-N 0 1 383.489 0.169 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2[nH]c(=O)[nH]c21)Nc1ccncc1-c1nn[nH]n1 ZINC001575027014 951152362 /nfs/dbraw/zinc/15/23/62/951152362.db2.gz BYVPLNGDSNILDF-VIFPVBQESA-N 0 1 379.384 0.496 20 0 GCADMN C[C@H](CNC(=O)c1cccc(N(C)C)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027915 951162325 /nfs/dbraw/zinc/16/23/25/951162325.db2.gz IUHUPXORWFLVMM-GFCCVEGCSA-N 0 1 381.444 0.977 20 0 GCADMN C[C@@H](CNC(=O)c1cccn(C)c1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575032016 951212533 /nfs/dbraw/zinc/21/25/33/951212533.db2.gz OEZVBPHCWSNPKC-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@@H](CNC(=O)c1cccn(C)c1=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575032018 951212755 /nfs/dbraw/zinc/21/27/55/951212755.db2.gz OJLWIQKZLLMTPK-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1cccn(C)c1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575032018 951212761 /nfs/dbraw/zinc/21/27/61/951212761.db2.gz OJLWIQKZLLMTPK-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CNC(=O)c1cccn(C)c1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575032015 951213930 /nfs/dbraw/zinc/21/39/30/951213930.db2.gz OEZVBPHCWSNPKC-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1cccnc1N(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575032165 951219354 /nfs/dbraw/zinc/21/93/54/951219354.db2.gz SFVONMASMSQKJO-LLVKDONJSA-N 0 1 382.432 0.372 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575034700 951253200 /nfs/dbraw/zinc/25/32/00/951253200.db2.gz CBFQGVYVNZPQRI-NSHDSACASA-N 0 1 384.448 0.863 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)CNc1ccncc1-c1nn[nH]n1 ZINC001575040370 951339058 /nfs/dbraw/zinc/33/90/58/951339058.db2.gz VYFJCWQOOLGWJA-LLVKDONJSA-N 0 1 384.448 0.508 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)ccc1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575041800 951352792 /nfs/dbraw/zinc/35/27/92/951352792.db2.gz CJTXFMCHJCHOFG-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575042351 951361047 /nfs/dbraw/zinc/36/10/47/951361047.db2.gz IGQWXVJSAZLLOA-NSHDSACASA-N 0 1 382.432 0.833 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575043082 951378991 /nfs/dbraw/zinc/37/89/91/951378991.db2.gz OKJPGZZSYOKFSG-MRVPVSSYSA-N 0 1 377.359 0.585 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043954 951404948 /nfs/dbraw/zinc/40/49/48/951404948.db2.gz XITZARSGIVCCDJ-SNVBAGLBSA-N 0 1 390.473 0.216 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)c(=O)n1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043954 951404952 /nfs/dbraw/zinc/40/49/52/951404952.db2.gz XITZARSGIVCCDJ-SNVBAGLBSA-N 0 1 390.473 0.216 20 0 GCADMN C[C@H](CNC(=O)c1cnc2n[nH]cc2c1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043923 951405899 /nfs/dbraw/zinc/40/58/99/951405899.db2.gz MZZDJIUQGLAHSG-SNVBAGLBSA-N 0 1 378.400 0.788 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001575044251 951410918 /nfs/dbraw/zinc/41/09/18/951410918.db2.gz QOXAKKYLSJYMIQ-IINYFYTJSA-N 0 1 383.416 0.489 20 0 GCADMN C[C@H](CNC(=O)c1cnc(C(C)(C)C)nc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575044880 951419576 /nfs/dbraw/zinc/41/95/76/951419576.db2.gz WJCGRIOZYPEALP-SNVBAGLBSA-N 0 1 382.432 0.397 20 0 GCADMN C[C@@H](CNC(=O)c1cncc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575045953 951435781 /nfs/dbraw/zinc/43/57/81/951435781.db2.gz JUMAIENODSLSSQ-NSHDSACASA-N 0 1 375.396 0.857 20 0 GCADMN C[C@H](CNC(=O)c1cncn1-c1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575046604 951443955 /nfs/dbraw/zinc/44/39/55/951443955.db2.gz PYQWGCJNBMHQAT-GFCCVEGCSA-N 0 1 390.411 0.495 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1CCOC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575047220 951455401 /nfs/dbraw/zinc/45/54/01/951455401.db2.gz ZQMHWRZDYJMJGD-NSHDSACASA-N 0 1 383.416 0.243 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1N)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575051962 951457305 /nfs/dbraw/zinc/45/73/05/951457305.db2.gz CCCMIRGPEMVTCV-RXMQYKEDSA-N 0 1 382.841 0.523 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(CC2CC2)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575052500 951466676 /nfs/dbraw/zinc/46/66/76/951466676.db2.gz KILCWECBDVRCDL-NSHDSACASA-N 0 1 382.432 0.518 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C(F)F)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575052902 951473858 /nfs/dbraw/zinc/47/38/58/951473858.db2.gz QBGYCUNKLSOSEZ-MRVPVSSYSA-N 0 1 378.347 0.148 20 0 GCADMN C[C@@H](CNC(=O)c1cnnn1C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575053775 951484881 /nfs/dbraw/zinc/48/48/81/951484881.db2.gz DVJPGMCKAJWMRQ-LURJTMIESA-N 0 1 382.841 0.360 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575054187 951489226 /nfs/dbraw/zinc/48/92/26/951489226.db2.gz XETANCSALAMIIX-LLVKDONJSA-N 0 1 381.444 0.773 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C(F)F)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575054611 951493980 /nfs/dbraw/zinc/49/39/80/951493980.db2.gz YZWIFJPSRMSORP-MRVPVSSYSA-N 0 1 378.347 0.503 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1OCCC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575055291 951502139 /nfs/dbraw/zinc/50/21/39/951502139.db2.gz PRAIYJZSSNGJOC-LLVKDONJSA-N 0 1 383.416 0.141 20 0 GCADMN C[C@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575055354 951504062 /nfs/dbraw/zinc/50/40/62/951504062.db2.gz RISXBXRJKXNFFN-SNVBAGLBSA-N 0 1 388.457 0.815 20 0 GCADMN C[C@H](CNC(=O)c1cnn2c1OCCC2)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575055354 951504068 /nfs/dbraw/zinc/50/40/68/951504068.db2.gz RISXBXRJKXNFFN-SNVBAGLBSA-N 0 1 388.457 0.815 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2ccccc12)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575055618 951509390 /nfs/dbraw/zinc/50/93/90/951509390.db2.gz YHYIXGSTHPYMNN-LLVKDONJSA-N 0 1 378.400 0.204 20 0 GCADMN C[C@H](CNC(=O)c1coc(CC2CC2)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575057787 951529900 /nfs/dbraw/zinc/52/99/00/951529900.db2.gz QKJCXUHDOJPVFZ-SNVBAGLBSA-N 0 1 383.416 0.852 20 0 GCADMN C[C@@H](CNC(=O)c1coc(C(N)=O)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575058020 951532392 /nfs/dbraw/zinc/53/23/92/951532392.db2.gz UDYYNTLMDBLWAK-VIFPVBQESA-N 0 1 387.375 0.606 20 0 GCADMN C[C@H](CNC(=O)c1ncc(Cl)s1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575062799 951571906 /nfs/dbraw/zinc/57/19/06/951571906.db2.gz YQNSTIAPLLDAAJ-ZETCQYMHSA-N 0 1 379.837 0.667 20 0 GCADMN C[C@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067437 951610567 /nfs/dbraw/zinc/61/05/67/951610567.db2.gz SNYSKEZFEDZELU-SNVBAGLBSA-N 0 1 385.436 0.258 20 0 GCADMN C[C@@H](CNC(=O)c1nnn(C(C)(C)C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067435 951611969 /nfs/dbraw/zinc/61/19/69/951611969.db2.gz SNYSKEZFEDZELU-JTQLQIEISA-N 0 1 385.436 0.258 20 0 GCADMN O=C([O-])CN1CCC[C@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC001595082289 951695429 /nfs/dbraw/zinc/69/54/29/951695429.db2.gz DWBSZGRLWJDHAG-OAHLLOKOSA-N 0 1 381.473 0.461 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001595083243 951707998 /nfs/dbraw/zinc/70/79/98/951707998.db2.gz JXLQPWUBYPXKST-JXFKEZNVSA-N 0 1 389.452 0.063 20 0 GCADMN C[C@H](CNCc1cc2n(n1)CCCC2)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575082940 951737768 /nfs/dbraw/zinc/73/77/68/951737768.db2.gz ZSQIXKNNYIVRAW-GFCCVEGCSA-N 0 1 383.460 0.978 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001575089146 951748126 /nfs/dbraw/zinc/74/81/26/951748126.db2.gz FBOHMQKNPKCAPL-FZMZJTMJSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575090703 951763096 /nfs/dbraw/zinc/76/30/96/951763096.db2.gz NLLUCEXKEZZWQO-IUODEOHRSA-N 0 1 392.435 0.748 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575091332 951773332 /nfs/dbraw/zinc/77/33/32/951773332.db2.gz RLHWQKBMDKELHK-XHDPSFHLSA-N 0 1 389.435 0.611 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098463 951823782 /nfs/dbraw/zinc/82/37/82/951823782.db2.gz DMOHEQYRULAVKP-AAEUAGOBSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCC(=O)N1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098463 951823785 /nfs/dbraw/zinc/82/37/85/951823785.db2.gz DMOHEQYRULAVKP-AAEUAGOBSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575099064 951829812 /nfs/dbraw/zinc/82/98/12/951829812.db2.gz IAJDRDBNFAGBHR-WDEREUQCSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575099064 951829824 /nfs/dbraw/zinc/82/98/24/951829824.db2.gz IAJDRDBNFAGBHR-WDEREUQCSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099378 951831511 /nfs/dbraw/zinc/83/15/11/951831511.db2.gz KXWFTITXGWKNED-JTQLQIEISA-N 0 1 388.457 0.673 20 0 GCADMN C[C@H](CNC(=O)c1cc2n(n1)CCO2)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099378 951831521 /nfs/dbraw/zinc/83/15/21/951831521.db2.gz KXWFTITXGWKNED-JTQLQIEISA-N 0 1 388.457 0.673 20 0 GCADMN C[C@@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099366 951832119 /nfs/dbraw/zinc/83/21/19/951832119.db2.gz KRIPPNJAHVFEKC-GFCCVEGCSA-N 0 1 387.469 0.632 20 0 GCADMN C[C@@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099366 951832128 /nfs/dbraw/zinc/83/21/28/951832128.db2.gz KRIPPNJAHVFEKC-GFCCVEGCSA-N 0 1 387.469 0.632 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575099443 951835239 /nfs/dbraw/zinc/83/52/39/951835239.db2.gz MFOMEBMEZHWYRJ-WDEREUQCSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575099443 951835246 /nfs/dbraw/zinc/83/52/46/951835246.db2.gz MFOMEBMEZHWYRJ-WDEREUQCSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575099411 951835955 /nfs/dbraw/zinc/83/59/55/951835955.db2.gz LLRBURGJDVGDEK-NWDGAFQWSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CO[C@@H]1CCOC1 ZINC001575099411 951835966 /nfs/dbraw/zinc/83/59/66/951835966.db2.gz LLRBURGJDVGDEK-NWDGAFQWSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100895 951850358 /nfs/dbraw/zinc/85/03/58/951850358.db2.gz WIXSECPCASWKDC-VIFPVBQESA-N 0 1 388.457 0.511 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100895 951850366 /nfs/dbraw/zinc/85/03/66/951850366.db2.gz WIXSECPCASWKDC-VIFPVBQESA-N 0 1 388.457 0.511 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100893 951850449 /nfs/dbraw/zinc/85/04/49/951850449.db2.gz WIXSECPCASWKDC-SECBINFHSA-N 0 1 388.457 0.511 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100893 951850459 /nfs/dbraw/zinc/85/04/59/951850459.db2.gz WIXSECPCASWKDC-SECBINFHSA-N 0 1 388.457 0.511 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575101011 951852296 /nfs/dbraw/zinc/85/22/96/951852296.db2.gz XNPDVCYTUQFMOZ-RYUDHWBXSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575101011 951852302 /nfs/dbraw/zinc/85/23/02/951852302.db2.gz XNPDVCYTUQFMOZ-RYUDHWBXSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCn1cncn1 ZINC001575101096 951853390 /nfs/dbraw/zinc/85/33/90/951853390.db2.gz ZIEXTUHFVQTGKC-NSHDSACASA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCn1cncn1 ZINC001575101096 951853395 /nfs/dbraw/zinc/85/33/95/951853395.db2.gz ZIEXTUHFVQTGKC-NSHDSACASA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575101736 951863861 /nfs/dbraw/zinc/86/38/61/951863861.db2.gz JASQNBGQNPSBBG-JQWIXIFHSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCC(=O)N1C ZINC001575101736 951863866 /nfs/dbraw/zinc/86/38/66/951863866.db2.gz JASQNBGQNPSBBG-JQWIXIFHSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575103032 951873993 /nfs/dbraw/zinc/87/39/93/951873993.db2.gz RDYPLSNIJOVDJL-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cn(C)ccc1=O ZINC001575103032 951874000 /nfs/dbraw/zinc/87/40/00/951874000.db2.gz RDYPLSNIJOVDJL-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001575104181 951881938 /nfs/dbraw/zinc/88/19/38/951881938.db2.gz XVYUGWMUVSBSRK-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001575104181 951881944 /nfs/dbraw/zinc/88/19/44/951881944.db2.gz XVYUGWMUVSBSRK-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cccc(=O)n1C ZINC001575104348 951886841 /nfs/dbraw/zinc/88/68/41/951886841.db2.gz ZUURKGNBVKSVDX-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cccc(=O)n1C ZINC001575104348 951886848 /nfs/dbraw/zinc/88/68/48/951886848.db2.gz ZUURKGNBVKSVDX-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNCc1ncnn1C(C)(C)C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575117426 951980126 /nfs/dbraw/zinc/98/01/26/951980126.db2.gz NRCCQAYYTCZEHC-NSHDSACASA-N 0 1 386.464 0.697 20 0 GCADMN C[C@H](CNCc1nn(C)cc1Cl)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575117793 951981200 /nfs/dbraw/zinc/98/12/00/951981200.db2.gz PVNSGYFOAAEXFI-SECBINFHSA-N 0 1 377.840 0.737 20 0 GCADMN C[C@@](CNc1ccc(-c2nn[nH]n2)cn1)(NC(=O)CCc1nc[nH]n1)C1CC1 ZINC001575121806 952000973 /nfs/dbraw/zinc/00/09/73/952000973.db2.gz HZTULOUZMKMBSM-KRWDZBQOSA-N 0 1 382.432 0.709 20 0 GCADMN O=C([O-])Cn1cc(C(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001595141720 952084559 /nfs/dbraw/zinc/08/45/59/952084559.db2.gz DKRXHZMSZGCVTI-IAGOWNOFSA-N 0 1 385.424 0.478 20 0 GCADMN O=C([O-])Cn1cc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC001595141723 952084605 /nfs/dbraw/zinc/08/46/05/952084605.db2.gz DKRXHZMSZGCVTI-SJORKVTESA-N 0 1 385.424 0.478 20 0 GCADMN C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575136266 952124796 /nfs/dbraw/zinc/12/47/96/952124796.db2.gz UFKUCEVPAQUZIQ-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575136266 952124799 /nfs/dbraw/zinc/12/47/99/952124799.db2.gz UFKUCEVPAQUZIQ-GFCCVEGCSA-N 0 1 389.464 0.026 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001575139751 952140510 /nfs/dbraw/zinc/14/05/10/952140510.db2.gz BNCROBXYJOCRMF-KBPBESRZSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139751 952140513 /nfs/dbraw/zinc/14/05/13/952140513.db2.gz BNCROBXYJOCRMF-KBPBESRZSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001575139751 952140517 /nfs/dbraw/zinc/14/05/17/952140517.db2.gz BNCROBXYJOCRMF-KBPBESRZSA-N 0 1 387.492 0.600 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC001575139791 952142185 /nfs/dbraw/zinc/14/21/85/952142185.db2.gz CAZGCPBCHMPVLB-STQMWFEESA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575140717 952143865 /nfs/dbraw/zinc/14/38/65/952143865.db2.gz FQAJZTMCLUTSEV-KRWDZBQOSA-N 0 1 382.432 0.131 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575143414 952152920 /nfs/dbraw/zinc/15/29/20/952152920.db2.gz PKAQJWPIQJMLOW-FPMFFAJLSA-N 0 1 379.428 0.536 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC001575143424 952153379 /nfs/dbraw/zinc/15/33/79/952153379.db2.gz PKAQJWPIQJMLOW-KWCYVHTRSA-N 0 1 379.428 0.536 20 0 GCADMN O=C([O-])Cn1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1=O ZINC001595153965 952154379 /nfs/dbraw/zinc/15/43/79/952154379.db2.gz BSEBBJBBPDZRAM-FUHWJXTLSA-N 0 1 399.447 0.546 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)COc1ccc(F)cc1 ZINC001575143533 952154560 /nfs/dbraw/zinc/15/45/60/952154560.db2.gz QDOGWYPXJHPAQA-LLVKDONJSA-N 0 1 386.391 0.556 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C(F)F)c1 ZINC001575144055 952161388 /nfs/dbraw/zinc/16/13/88/952161388.db2.gz FVHMFGUCPZJMMF-QMMMGPOBSA-N 0 1 378.347 0.243 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575144017 952161504 /nfs/dbraw/zinc/16/15/04/952161504.db2.gz FNQFXHNOLVYNDD-GOSISDBHSA-N 0 1 380.412 0.795 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575144239 952164605 /nfs/dbraw/zinc/16/46/05/952164605.db2.gz HCWWUHONKTYCEP-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575144425 952166464 /nfs/dbraw/zinc/16/64/64/952166464.db2.gz IJRGKTFQFJHNBS-LLVKDONJSA-N 0 1 382.432 0.184 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1scnc1Cl ZINC001575144462 952168200 /nfs/dbraw/zinc/16/82/00/952168200.db2.gz IQTAAXUDTAJOBP-SSDOTTSWSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C(F)F)nc1 ZINC001575144670 952169289 /nfs/dbraw/zinc/16/92/89/952169289.db2.gz KFOPARNHJNPKBC-SECBINFHSA-N 0 1 389.370 0.984 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC001575144905 952173992 /nfs/dbraw/zinc/17/39/92/952173992.db2.gz NOPIKVHCFQRQID-VXGBXAGGSA-N 0 1 381.444 0.786 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575144967 952174941 /nfs/dbraw/zinc/17/49/41/952174941.db2.gz ZSQZSNDTQDKWOX-INIZCTEOSA-N 0 1 385.457 0.475 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575145200 952180021 /nfs/dbraw/zinc/18/00/21/952180021.db2.gz SFTZSHCOPMDCLE-QMMMGPOBSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(Cl)n(C)n1 ZINC001575145199 952180272 /nfs/dbraw/zinc/18/02/72/952180272.db2.gz SFTZSHCOPMDCLE-MRVPVSSYSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncoc1C(C)(C)C ZINC001575145241 952180360 /nfs/dbraw/zinc/18/03/60/952180360.db2.gz UEEVZMCNDAQUBG-JTQLQIEISA-N 0 1 385.432 0.937 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575145337 952182683 /nfs/dbraw/zinc/18/26/83/952182683.db2.gz VWDAGFKSECLTBO-SSDOTTSWSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575145369 952183020 /nfs/dbraw/zinc/18/30/20/952183020.db2.gz WOUUNZGAGAMQLR-JTQLQIEISA-N 0 1 382.432 0.262 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccn(CC(F)F)n1 ZINC001575145804 952189011 /nfs/dbraw/zinc/18/90/11/952189011.db2.gz CTWWLLDBLNYKTQ-JTQLQIEISA-N 0 1 391.386 0.718 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575146257 952192370 /nfs/dbraw/zinc/19/23/70/952192370.db2.gz JKHRTROJYXASLQ-NSHDSACASA-N 0 1 382.432 0.573 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CC[C@]1(C)CCC(=O)N1 ZINC001575146433 952193954 /nfs/dbraw/zinc/19/39/54/952193954.db2.gz KUSBOWQMQIWTHG-XIKOKIGWSA-N 0 1 386.460 0.391 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(N)=O)cs1 ZINC001575146409 952194034 /nfs/dbraw/zinc/19/40/34/952194034.db2.gz KEHHUMORPQQTKG-VIFPVBQESA-N 0 1 386.441 0.417 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CN1CCCCCC1=O ZINC001575146869 952197833 /nfs/dbraw/zinc/19/78/33/952197833.db2.gz PKBCZBAHKMFVBG-ZDUSSCGKSA-N 0 1 386.460 0.345 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cc(C(F)F)ncn1 ZINC001575147164 952199264 /nfs/dbraw/zinc/19/92/64/952199264.db2.gz RHDFNYMEPPYVFI-SECBINFHSA-N 0 1 389.370 0.984 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(N(C)C)nc1 ZINC001575147854 952201409 /nfs/dbraw/zinc/20/14/09/952201409.db2.gz WORQCZRMSKKGLQ-LBPRGKRZSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)CCc1c[nH]nn1 ZINC001575164068 952286687 /nfs/dbraw/zinc/28/66/87/952286687.db2.gz BGOBKQWDBXDENX-VIFPVBQESA-N 0 1 390.839 0.925 20 0 GCADMN C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)CCc1cnn[nH]1 ZINC001575164068 952286694 /nfs/dbraw/zinc/28/66/94/952286694.db2.gz BGOBKQWDBXDENX-VIFPVBQESA-N 0 1 390.839 0.925 20 0 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IUPMCKHSIXCDDS-HNNXBMFYSA-N 0 1 379.428 0.745 20 0 GCADMN Cc1cccnc1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571156853 952705984 /nfs/dbraw/zinc/70/59/84/952705984.db2.gz LJSGAKVBULWXPY-CYBMUJFWSA-N 0 1 379.428 0.889 20 0 GCADMN COc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)ccc1C ZINC001571157919 952708483 /nfs/dbraw/zinc/70/84/83/952708483.db2.gz CONZJAYEDYQTLL-ZDUSSCGKSA-N 0 1 380.412 0.982 20 0 GCADMN Cc1cnc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)cn1 ZINC001571157949 952709000 /nfs/dbraw/zinc/70/90/00/952709000.db2.gz OPGLNDDVBDSPSS-CHWSQXEVSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)Cn3ccccc3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158239 952709964 /nfs/dbraw/zinc/70/99/64/952709964.db2.gz FSEZQLRLQZDJKI-ZDUSSCGKSA-N 0 1 380.412 0.127 20 0 GCADMN COc1ccc(CC(=O)N[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571158309 952710770 /nfs/dbraw/zinc/71/07/70/952710770.db2.gz GSARESYYGLDOMW-BETUJISGSA-N 0 1 380.412 0.389 20 0 GCADMN COc1cccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571158540 952712077 /nfs/dbraw/zinc/71/20/77/952712077.db2.gz LCSGKXGBOQGMBW-BXUZGUMPSA-N 0 1 380.412 0.660 20 0 GCADMN COc1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)cc1 ZINC001571158516 952712233 /nfs/dbraw/zinc/71/22/33/952712233.db2.gz KGCMMCRFPXMCFP-FZMZJTMJSA-N 0 1 380.412 0.802 20 0 GCADMN Cc1cnc(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)c(C)c1 ZINC001571158934 952716381 /nfs/dbraw/zinc/71/63/81/952716381.db2.gz USNREFJYXDDCIT-UHFFFAOYSA-N 0 1 379.428 0.807 20 0 GCADMN NC(=O)c1ccc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC001571160253 952723881 /nfs/dbraw/zinc/72/38/81/952723881.db2.gz FXUDRGVXUSVMNT-UHFFFAOYSA-N 0 1 380.412 0.156 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)ncn1 ZINC001571160288 952724873 /nfs/dbraw/zinc/72/48/73/952724873.db2.gz XWOQELJSKBLZHY-YPMHNXCESA-N 0 1 379.428 0.602 20 0 GCADMN Cc1cc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2cn(C)cn2)C3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571160290 952724997 /nfs/dbraw/zinc/72/49/97/952724997.db2.gz XXRLHVZELJWGHL-ZLDLUXBVSA-N 0 1 379.428 0.843 20 0 GCADMN O=C(Cc1cnoc1)N1CC[C@@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571160841 952728111 /nfs/dbraw/zinc/72/81/11/952728111.db2.gz MWXNZFNZSZSAKP-GOSISDBHSA-N 0 1 380.412 0.921 20 0 GCADMN O=C(Cc1ccoc1)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571160785 952728119 /nfs/dbraw/zinc/72/81/19/952728119.db2.gz LZUWURGWWOXTER-KGLIPLIRSA-N 0 1 380.412 0.920 20 0 GCADMN O=C(NCc1nnc([C@H]2CCOC2)[nH]1)C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571161449 952732765 /nfs/dbraw/zinc/73/27/65/952732765.db2.gz VTYPHIFCDOWSEM-LBPRGKRZSA-N 0 1 380.412 0.837 20 0 GCADMN CCc1ncncc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571162595 952743802 /nfs/dbraw/zinc/74/38/02/952743802.db2.gz WACBVVFDDVGQDU-ZWNOBZJWSA-N 0 1 380.416 0.264 20 0 GCADMN CN(C)c1ccc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001571162593 952743970 /nfs/dbraw/zinc/74/39/70/952743970.db2.gz VZNFNIUWABLTGR-UHFFFAOYSA-N 0 1 380.416 0.080 20 0 GCADMN C[C@@H]1CN(C(=O)c2nccnc2N)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571162678 952745426 /nfs/dbraw/zinc/74/54/26/952745426.db2.gz XTEGANOZRUCEIN-PWSUYJOCSA-N 0 1 380.416 0.019 20 0 GCADMN C[C@H]1CN(C(=O)c2nccnc2N)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571162677 952745522 /nfs/dbraw/zinc/74/55/22/952745522.db2.gz XTEGANOZRUCEIN-JQWIXIFHSA-N 0 1 380.416 0.019 20 0 GCADMN Cc1ncncc1C(=O)N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571166101 952758342 /nfs/dbraw/zinc/75/83/42/952758342.db2.gz NODXTRJWIOIOJT-DGCLKSJQSA-N 0 1 380.416 0.188 20 0 GCADMN Cc1ncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c(C)n1 ZINC001571166296 952759995 /nfs/dbraw/zinc/75/99/95/952759995.db2.gz QKSOBNBITRTLKK-MFKMUULPSA-N 0 1 380.416 0.201 20 0 GCADMN O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCC[C@@H](Nc2cnc(-c3nn[nH]n3)cn2)C1 ZINC001571166837 952765404 /nfs/dbraw/zinc/76/54/04/952765404.db2.gz XQJDCXNENWYSIW-IJLUTSLNSA-N 0 1 380.416 0.586 20 0 GCADMN CC(C)(C)OC(=O)[C@H]1C[C@H](NS(=O)(=O)c2cccnc2-c2nn[nH]n2)C1 ZINC001571167018 952769210 /nfs/dbraw/zinc/76/92/10/952769210.db2.gz SSKJBMCUTVTINE-MGCOHNPYSA-N 0 1 380.430 0.660 20 0 GCADMN O=C(c1cncc(F)c1)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571169990 952782079 /nfs/dbraw/zinc/78/20/79/952782079.db2.gz BVTAIVUODFYCJN-BETUJISGSA-N 0 1 381.375 0.684 20 0 GCADMN C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571170142 952784162 /nfs/dbraw/zinc/78/41/62/952784162.db2.gz DNEMXBSZKRGWMW-ZWNOBZJWSA-N 0 1 381.400 0.142 20 0 GCADMN C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C1CN(CCO[C@H]2CC2(F)F)C1 ZINC001571170353 952785174 /nfs/dbraw/zinc/78/51/74/952785174.db2.gz HHMOHFOTDDTHEU-ZANVPECISA-N 0 1 381.387 0.669 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571170793 952787896 /nfs/dbraw/zinc/78/78/96/952787896.db2.gz LPCPBVCRWWEOGA-PWSUYJOCSA-N 0 1 381.400 0.545 20 0 GCADMN CCN(C(=O)c1cccc(=O)[nH]1)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571171300 952792967 /nfs/dbraw/zinc/79/29/67/952792967.db2.gz QRPUFPNSJMMGNZ-NSHDSACASA-N 0 1 381.400 0.498 20 0 GCADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cc(C2CC2)on1 ZINC001571171621 952795173 /nfs/dbraw/zinc/79/51/73/952795173.db2.gz UCYJKJCBAHWRRG-ONGXEEELSA-N 0 1 381.400 0.659 20 0 GCADMN CO[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172237 952803675 /nfs/dbraw/zinc/80/36/75/952803675.db2.gz QKZFDSLAUVMVHU-NEPJUHHUSA-N 0 1 380.474 0.670 20 0 GCADMN CO[C@H](C)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172237 952803687 /nfs/dbraw/zinc/80/36/87/952803687.db2.gz QKZFDSLAUVMVHU-NEPJUHHUSA-N 0 1 380.474 0.670 20 0 GCADMN CN(C(=O)c1ocnc1C1CC1)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571174547 952809491 /nfs/dbraw/zinc/80/94/91/952809491.db2.gz ABNMEFXZLCUCPM-UHFFFAOYSA-N 0 1 381.400 0.659 20 0 GCADMN Cc1cc(C(=O)N[C@]23CCC[C@H]2N(c2ccnc(-c4nn[nH]n4)n2)CC3)no1 ZINC001571174614 952811529 /nfs/dbraw/zinc/81/15/29/952811529.db2.gz CAFJOXMLZXKSHH-PXAZEXFGSA-N 0 1 381.400 0.885 20 0 GCADMN Cc1cc(N[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174586 952811836 /nfs/dbraw/zinc/81/18/36/952811836.db2.gz BBHOOBSKRWQZHT-YMTOWFKASA-N 0 1 381.400 0.060 20 0 GCADMN COc1ncccc1C(=O)N1CC[C@@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571174783 952813728 /nfs/dbraw/zinc/81/37/28/952813728.db2.gz IBPVDRABIWFNGB-LLVKDONJSA-N 0 1 381.400 0.411 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)no1 ZINC001571174802 952813998 /nfs/dbraw/zinc/81/39/98/952813998.db2.gz INOLPJMXCBLRHB-TUAOUCFPSA-N 0 1 381.400 0.740 20 0 GCADMN Cc1cc(N2CC[C@H]3[C@H]2CCCN3C(=O)c2cnon2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174766 952814461 /nfs/dbraw/zinc/81/44/61/952814461.db2.gz HSCRENLHHLOKFK-KGLIPLIRSA-N 0 1 381.400 0.837 20 0 GCADMN Cc1cc(C2(C(=O)N[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)CC2)on1 ZINC001571174819 952815386 /nfs/dbraw/zinc/81/53/86/952815386.db2.gz JBHSOIVHDSCFCA-NSHDSACASA-N 0 1 381.400 0.380 20 0 GCADMN Cc1conc1C(=O)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571175967 952828423 /nfs/dbraw/zinc/82/84/23/952828423.db2.gz KBAQYZOHISCIGE-WDEREUQCSA-N 0 1 381.400 0.528 20 0 GCADMN O=C(Cc1cnoc1)N[C@@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571176335 952830832 /nfs/dbraw/zinc/83/08/32/952830832.db2.gz PUBIWPVPXSBKAF-NWDGAFQWSA-N 0 1 381.400 0.149 20 0 GCADMN Cc1ncoc1C(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571176542 952833132 /nfs/dbraw/zinc/83/31/32/952833132.db2.gz UGKCWYLNZPFLPZ-LLVKDONJSA-N 0 1 381.400 0.742 20 0 GCADMN O=C(c1ccon1)N1C[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C1 ZINC001571178288 952837360 /nfs/dbraw/zinc/83/73/60/952837360.db2.gz FIELRGRWPMBQON-SDDRHHMPSA-N 0 1 381.400 0.419 20 0 GCADMN O=C(c1ccon1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571178672 952844448 /nfs/dbraw/zinc/84/44/48/952844448.db2.gz QRMVIMREEMIDSS-WCQYABFASA-N 0 1 381.400 0.776 20 0 GCADMN O=C(c1ocnc1C1CC1)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571178921 952848899 /nfs/dbraw/zinc/84/88/99/952848899.db2.gz YCJJUQBTOCAEKY-UHFFFAOYSA-N 0 1 381.400 0.875 20 0 GCADMN O=C(c1cnco1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571178930 952850857 /nfs/dbraw/zinc/85/08/57/952850857.db2.gz YLLXQRSRJBMXFK-NWDGAFQWSA-N 0 1 381.400 0.776 20 0 GCADMN C[C@H](C(=O)N1C[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1)n1cccc1 ZINC001571179425 952853473 /nfs/dbraw/zinc/85/34/73/952853473.db2.gz DNSXKEMUVDQBDB-MGPQQGTHSA-N 0 1 381.444 0.648 20 0 GCADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001571181428 952865157 /nfs/dbraw/zinc/86/51/57/952865157.db2.gz WUIVWPYCOCOQSJ-XHBSWPGZSA-N 0 1 381.444 0.480 20 0 GCADMN COc1ccc([C@H](O)CNS(=O)(=O)c2ccsc2-c2nn[nH]n2)cc1 ZINC001571182678 952867141 /nfs/dbraw/zinc/86/71/41/952867141.db2.gz BJWPSOXUJYKUQW-LLVKDONJSA-N 0 1 381.439 0.949 20 0 GCADMN CCc1c(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cnn1C ZINC001571183644 952881221 /nfs/dbraw/zinc/88/12/21/952881221.db2.gz GTNQXURDKHEFKN-LBPRGKRZSA-N 0 1 381.444 0.615 20 0 GCADMN C[C@@H]1C[C@@H](NCc2cc3n(n2)CCC3)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571183683 952881696 /nfs/dbraw/zinc/88/16/96/952881696.db2.gz HMHBVVTZTBGECO-BXUZGUMPSA-N 0 1 381.444 0.730 20 0 GCADMN CCc1c(C(=O)N2C[C@@H](N=c3cc[nH]c(-c4nn[nH]n4)n3)C[C@H]2C)ccn1C ZINC001571183745 952882157 /nfs/dbraw/zinc/88/21/57/952882157.db2.gz IOFOYKMGUOMSKD-NEPJUHHUSA-N 0 1 381.444 0.695 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC001571183679 952882528 /nfs/dbraw/zinc/88/25/28/952882528.db2.gz HFRZZPXXNJOZJV-OLZOCXBDSA-N 0 1 381.444 0.770 20 0 GCADMN CCc1n[nH]cc1C(=O)NC[C@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571183875 952884043 /nfs/dbraw/zinc/88/40/43/952884043.db2.gz LMDBTLGHNRUEKS-HAQNSBGRSA-N 0 1 381.444 0.898 20 0 GCADMN CC[C@H]1CN(C(=O)c2cn(C)cn2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571184042 952886584 /nfs/dbraw/zinc/88/65/84/952886584.db2.gz PCKATGQSGQOBOI-GXTWGEPZSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H](Cc1cnn(C)c1)C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571184312 952890160 /nfs/dbraw/zinc/89/01/60/952890160.db2.gz WBLXEOCKDVFHEP-OCCSQVGLSA-N 0 1 381.444 0.309 20 0 GCADMN C[C@@H](Cc1cnn(C)c1)C(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571184310 952891069 /nfs/dbraw/zinc/89/10/69/952891069.db2.gz WBLXEOCKDVFHEP-GXTWGEPZSA-N 0 1 381.444 0.309 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1nccn1C ZINC001571184342 952892136 /nfs/dbraw/zinc/89/21/36/952892136.db2.gz WYLOTUQNXMMCJM-OCCSQVGLSA-N 0 1 381.444 0.451 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001571184360 952892168 /nfs/dbraw/zinc/89/21/68/952892168.db2.gz XMVXZWDUQXFPBS-MLGOLLRUSA-N 0 1 381.444 0.912 20 0 GCADMN CCCn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)nn1 ZINC001571184464 952893530 /nfs/dbraw/zinc/89/35/30/952893530.db2.gz ZYHHZWPHIVHLTN-AWEZNQCLSA-N 0 1 381.444 0.873 20 0 GCADMN CCn1ccnc1C(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571184800 952897400 /nfs/dbraw/zinc/89/74/00/952897400.db2.gz DDNRSDLMVTUXQL-STQMWFEESA-N 0 1 381.444 0.911 20 0 GCADMN CCn1ccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)c1C ZINC001571184810 952897588 /nfs/dbraw/zinc/89/75/88/952897588.db2.gz DHNBOWZIICFJSF-AAEUAGOBSA-N 0 1 381.444 0.924 20 0 GCADMN CCn1ccc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571185762 952903160 /nfs/dbraw/zinc/90/31/60/952903160.db2.gz PHOUWHBNFYBHHS-UHFFFAOYSA-N 0 1 381.444 0.829 20 0 GCADMN Cc1cc(NC[C@H]2CCC[C@H]2NC(=O)Cn2cccn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187913 952909776 /nfs/dbraw/zinc/90/97/76/952909776.db2.gz CRHYWRKXTAUJPZ-UKRRQHHQSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1ccnn1CC(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C(C)(C)C1 ZINC001571187974 952911512 /nfs/dbraw/zinc/91/15/12/952911512.db2.gz DZIRFVCJZJUIQH-HNNXBMFYSA-N 0 1 381.444 0.538 20 0 GCADMN Cc1cc(N(C)C[C@H]2CCN(C(=O)c3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188420 952914309 /nfs/dbraw/zinc/91/43/09/952914309.db2.gz KMWZLVRTGQZMDQ-CYBMUJFWSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1cn(C)nc1C(=O)NC[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188404 952915074 /nfs/dbraw/zinc/91/50/74/952915074.db2.gz KFXCEDPBXZQAIW-CYBMUJFWSA-N 0 1 381.444 0.868 20 0 GCADMN Cc1cc(N[C@@H]2CCC[C@@H](NC(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188579 952916818 /nfs/dbraw/zinc/91/68/18/952916818.db2.gz LIJZVMXHENEQLR-ZIAGYGMSSA-N 0 1 381.444 0.728 20 0 GCADMN Cc1cc(N2CCC(NC(=O)Cc3cnn(C)c3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188606 952916913 /nfs/dbraw/zinc/91/69/13/952916913.db2.gz LSQOPBHRWYYMGT-UHFFFAOYSA-N 0 1 381.444 0.631 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@H]([C@@H](C)Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571188876 952921443 /nfs/dbraw/zinc/92/14/43/952921443.db2.gz OQODINAAZYHCBM-KGLIPLIRSA-N 0 1 381.444 0.538 20 0 GCADMN Cc1cnc(CN2CCC(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)cn1 ZINC001571189080 952923877 /nfs/dbraw/zinc/92/38/77/952923877.db2.gz RRYRNSXPRFHMMN-UHFFFAOYSA-N 0 1 381.444 0.935 20 0 GCADMN Cc1cc(NC[C@H]2CC[C@H](NC(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189280 952927918 /nfs/dbraw/zinc/92/79/18/952927918.db2.gz UMEARXBZOQPHOV-KBPBESRZSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1ncc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571189351 952929684 /nfs/dbraw/zinc/92/96/84/952929684.db2.gz QFXIVXAOXIVWCL-CHWSQXEVSA-N 0 1 381.444 0.879 20 0 GCADMN Cc1cnn(C)c1C(=O)NCC1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189580 952931594 /nfs/dbraw/zinc/93/15/94/952931594.db2.gz XQUDSQPKWDZHSR-UHFFFAOYSA-N 0 1 381.444 0.654 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)c3cn(C)cn3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189589 952931932 /nfs/dbraw/zinc/93/19/32/952931932.db2.gz XXDDZTQBPROYJR-HNNXBMFYSA-N 0 1 381.444 0.688 20 0 GCADMN Cc1cc(C)n(CC(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)n1 ZINC001571189646 952932336 /nfs/dbraw/zinc/93/23/36/952932336.db2.gz ZOUPQKPFRZVQGF-GXTWGEPZSA-N 0 1 381.444 0.598 20 0 GCADMN Cn1nncc1C(=O)NC[C@@H]1CCCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571189825 952936279 /nfs/dbraw/zinc/93/62/79/952936279.db2.gz WEOPOXFGOAQYBH-AWEZNQCLSA-N 0 1 381.444 0.780 20 0 GCADMN Cn1cc(CC(=O)N[C@H]2CC[C@H](Nc3ccncc3-c3nn[nH]n3)CC2)cn1 ZINC001571189856 952936823 /nfs/dbraw/zinc/93/68/23/952936823.db2.gz XTFNRPFSVTYGOV-HDJSIYSDSA-N 0 1 381.444 0.499 20 0 GCADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001571194009 952955879 /nfs/dbraw/zinc/95/58/79/952955879.db2.gz DVVGCBIGEWBSQL-SNVBAGLBSA-N 0 1 382.306 0.327 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)Cc3ncccc3F)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571195592 952977349 /nfs/dbraw/zinc/97/73/49/952977349.db2.gz CEPFOEODNQVHCT-LBPRGKRZSA-N 0 1 382.403 0.782 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)Cc1cccc(F)c1 ZINC001571196481 952981094 /nfs/dbraw/zinc/98/10/94/952981094.db2.gz KZXKGQDUZYFROK-SMDDNHRTSA-N 0 1 382.403 0.862 20 0 GCADMN Cc1c[nH]nc1C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571197133 952987538 /nfs/dbraw/zinc/98/75/38/952987538.db2.gz SQFBUWYFYYZONR-VIKVFOODSA-N 0 1 382.403 0.898 20 0 GCADMN CCOc1cccc(CN[C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571198542 952991234 /nfs/dbraw/zinc/99/12/34/952991234.db2.gz BTLPLUYJDYXNJP-AWEZNQCLSA-N 0 1 382.428 0.993 20 0 GCADMN CCOc1cccc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571198728 952992233 /nfs/dbraw/zinc/99/22/33/952992233.db2.gz DZDDFPWBZYFZLG-CQSZACIVSA-N 0 1 382.428 0.993 20 0 GCADMN Cc1c[nH]cc1C(=O)N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571198725 952992289 /nfs/dbraw/zinc/99/22/89/952992289.db2.gz DTRFDWHFUUYXQB-ZDUSSCGKSA-N 0 1 382.428 0.663 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN(C)[C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001571199007 952995271 /nfs/dbraw/zinc/99/52/71/952995271.db2.gz JWFQWPOACZHCOI-OAHLLOKOSA-N 0 1 382.428 0.945 20 0 GCADMN COc1ccc(CN2CC[C@H](NC(=O)Cc3ncc[nH]3)C2)cc1-c1nn[nH]n1 ZINC001571199224 952998035 /nfs/dbraw/zinc/99/80/35/952998035.db2.gz NVCGFHNOSYQJHV-ZDUSSCGKSA-N 0 1 382.428 0.532 20 0 GCADMN O=C(NC[C@@H]1[C@H]2CN(Cc3cncc(F)c3)C[C@H]21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571199813 953005416 /nfs/dbraw/zinc/00/54/16/953005416.db2.gz CNQGSYMQPIYPJX-QKDCVEJESA-N 0 1 382.403 0.837 20 0 GCADMN CCc1c(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)cnn1C ZINC001571204865 953033341 /nfs/dbraw/zinc/03/33/41/953033341.db2.gz DGRUESWOYOMZBW-ZYHUDNBSSA-N 0 1 382.432 0.207 20 0 GCADMN O=C(C1=COCCC1)N1CCC[C@@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571204935 953033638 /nfs/dbraw/zinc/03/36/38/953033638.db2.gz DLHJBGORAUWIFT-KGLIPLIRSA-N 0 1 382.428 0.921 20 0 GCADMN O=C(C1=COCCC1)N1CCC[C@@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571204939 953034742 /nfs/dbraw/zinc/03/47/42/953034742.db2.gz DLHJBGORAUWIFT-ZIAGYGMSSA-N 0 1 382.428 0.921 20 0 GCADMN CC(C)(C)n1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571205065 953035132 /nfs/dbraw/zinc/03/51/32/953035132.db2.gz GAZCGUJIEKDGMD-LLVKDONJSA-N 0 1 382.432 0.357 20 0 GCADMN CC[C@@H]1CN(C(=O)c2n[nH]cc2C)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571205601 953040050 /nfs/dbraw/zinc/04/00/50/953040050.db2.gz LMSFJLSKHPZLSC-VXGBXAGGSA-N 0 1 382.432 0.463 20 0 GCADMN CCn1nccc1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205859 953043255 /nfs/dbraw/zinc/04/32/55/953043255.db2.gz CESCHDATKXPVSO-LBPRGKRZSA-N 0 1 382.432 0.520 20 0 GCADMN CCn1nccc1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205858 953043620 /nfs/dbraw/zinc/04/36/20/953043620.db2.gz CESCHDATKXPVSO-GFCCVEGCSA-N 0 1 382.432 0.520 20 0 GCADMN CC(C)n1cnc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571205978 953045333 /nfs/dbraw/zinc/04/53/33/953045333.db2.gz PUCNBKAHQFSTKK-UHFFFAOYSA-N 0 1 382.432 0.477 20 0 GCADMN CCCc1n[nH]cc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571206171 953048367 /nfs/dbraw/zinc/04/83/67/953048367.db2.gz RYVLZMOYNIYUCO-LLVKDONJSA-N 0 1 382.432 0.471 20 0 GCADMN C[C@H]1[C@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571206295 953048683 /nfs/dbraw/zinc/04/86/83/953048683.db2.gz STUCWLZQFHURIO-WCQYABFASA-N 0 1 382.432 0.106 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)Cc2ccn(C)n2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571206298 953049233 /nfs/dbraw/zinc/04/92/33/953049233.db2.gz STUCWLZQFHURIO-YPMHNXCESA-N 0 1 382.432 0.106 20 0 GCADMN Cc1noc(C)c1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@H]1C ZINC001571206296 953049248 /nfs/dbraw/zinc/04/92/48/953049248.db2.gz OEMGMMXFDOUMID-IAQYHMDHSA-N 0 1 382.428 0.932 20 0 GCADMN CCCn1nccc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571206371 953049936 /nfs/dbraw/zinc/04/99/36/953049936.db2.gz UJYYZZUYHZWTFS-GFCCVEGCSA-N 0 1 382.432 0.520 20 0 GCADMN CCCn1nccc1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206371 953049942 /nfs/dbraw/zinc/04/99/42/953049942.db2.gz UJYYZZUYHZWTFS-GFCCVEGCSA-N 0 1 382.432 0.520 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1C ZINC001571206580 953053086 /nfs/dbraw/zinc/05/30/86/953053086.db2.gz VNTFBODDYTVQGW-LLVKDONJSA-N 0 1 382.432 0.351 20 0 GCADMN CCc1cc(C(=O)N2C[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)[C@H](C)C2)n[nH]1 ZINC001571206575 953053213 /nfs/dbraw/zinc/05/32/13/953053213.db2.gz VLOSDVCCDQULQY-GHMZBOCLSA-N 0 1 382.432 0.762 20 0 GCADMN C[C@@H]1CC[C@H](NC(=O)c2nnn(C)n2)CN1Cc1ccccc1-c1nn[nH]n1 ZINC001571206668 953054240 /nfs/dbraw/zinc/05/42/40/953054240.db2.gz VYUMJXFKEZLUHP-YPMHNXCESA-N 0 1 382.432 0.173 20 0 GCADMN C[C@@H]1CN(C(=O)CCc2c[nH]nn2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571207022 953058478 /nfs/dbraw/zinc/05/84/78/953058478.db2.gz ZUBNNWDGDAPFBD-YPMHNXCESA-N 0 1 382.432 0.519 20 0 GCADMN C[C@@H]1CN(C(=O)CCc2cnn[nH]2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)cn1 ZINC001571207022 953058480 /nfs/dbraw/zinc/05/84/80/953058480.db2.gz ZUBNNWDGDAPFBD-YPMHNXCESA-N 0 1 382.432 0.519 20 0 GCADMN Cc1cc(-c2nn[nH]n2)nc(N[C@H]2CN(C(=O)Cc3ccn[nH]3)CC2(C)C)n1 ZINC001571207077 953059368 /nfs/dbraw/zinc/05/93/68/953059368.db2.gz MRBZUQFKCBBBKX-ZDUSSCGKSA-N 0 1 382.432 0.580 20 0 GCADMN CC(C)c1cc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n(C)n1 ZINC001571207141 953060130 /nfs/dbraw/zinc/06/01/30/953060130.db2.gz WFVPOYBMMLWEQV-XYPYZODXSA-N 0 1 382.432 0.308 20 0 GCADMN CN(CC1CCN(C(=O)c2ccn(C)n2)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571207491 953063744 /nfs/dbraw/zinc/06/37/44/953063744.db2.gz UMZFFFGIFIVWJY-UHFFFAOYSA-N 0 1 382.432 0.379 20 0 GCADMN CCn1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)n1 ZINC001571207438 953063808 /nfs/dbraw/zinc/06/38/08/953063808.db2.gz RPDJDOXNAHMYPQ-RYUDHWBXSA-N 0 1 382.432 0.258 20 0 GCADMN Cc1nc[nH]c1CC(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571207480 953063930 /nfs/dbraw/zinc/06/39/30/953063930.db2.gz TVKPVESBLSISPQ-UHFFFAOYSA-N 0 1 382.432 0.003 20 0 GCADMN Cc1c(C(=O)NC2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cnn1C ZINC001571207644 953065389 /nfs/dbraw/zinc/06/53/89/953065389.db2.gz YYWKTPVQISKPFH-UHFFFAOYSA-N 0 1 382.432 0.488 20 0 GCADMN O=C(N[C@@H]1CCCN(Cc2n[nH]c(C3CC3)n2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571209764 953067207 /nfs/dbraw/zinc/06/72/07/953067207.db2.gz DBLZUUHTYJBHPM-GFCCVEGCSA-N 0 1 382.432 0.585 20 0 GCADMN Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)cn1 ZINC001571210857 953074998 /nfs/dbraw/zinc/07/49/98/953074998.db2.gz YOMUQXPVULTTSN-JYAVWHMHSA-N 0 1 382.453 0.887 20 0 GCADMN Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)cn1 ZINC001571210857 953075001 /nfs/dbraw/zinc/07/50/01/953075001.db2.gz YOMUQXPVULTTSN-JYAVWHMHSA-N 0 1 382.453 0.887 20 0 GCADMN Cc1cnc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nnn[n-]5)s4)C[C@H]32)cn1 ZINC001571210857 953075007 /nfs/dbraw/zinc/07/50/07/953075007.db2.gz YOMUQXPVULTTSN-JYAVWHMHSA-N 0 1 382.453 0.887 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](C)[C@H](CCNc3nccnc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571211435 953076736 /nfs/dbraw/zinc/07/67/36/953076736.db2.gz ANHLDIVGAFQFAZ-ZYHUDNBSSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)n(C)n1 ZINC001571211503 953077759 /nfs/dbraw/zinc/07/77/59/953077759.db2.gz BYSHCWKVBVMIJA-GFCCVEGCSA-N 0 1 382.432 0.440 20 0 GCADMN Cc1cc(C(=O)N2CC[C@H](CNc3nccnc3-c3nn[nH]n3)[C@@H](C)C2)n[nH]1 ZINC001571211608 953078974 /nfs/dbraw/zinc/07/89/74/953078974.db2.gz CCGNGEFACHOFTR-CMPLNLGQSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1cc(N(C)[C@H]2CCN(C(=O)[C@@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211687 953079251 /nfs/dbraw/zinc/07/92/51/953079251.db2.gz FRMHLPCWJYLOIN-OLZOCXBDSA-N 0 1 382.432 0.460 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(NC[C@@H]2CCC[C@H]2NC(=O)Cc2nnc[nH]2)n1 ZINC001571211704 953079481 /nfs/dbraw/zinc/07/94/81/953079481.db2.gz FYBVVTKFLWACAU-WCQYABFASA-N 0 1 382.432 0.628 20 0 GCADMN Cc1cc(N(C)[C@@H]2CCN(C(=O)[C@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211688 953079715 /nfs/dbraw/zinc/07/97/15/953079715.db2.gz FRMHLPCWJYLOIN-QWHCGFSZSA-N 0 1 382.432 0.460 20 0 GCADMN Cc1cc(N2CCC[C@@H](NC(=O)[C@H](C)n3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211700 953079729 /nfs/dbraw/zinc/07/97/29/953079729.db2.gz FXMJKEUVZQHVOQ-QWHCGFSZSA-N 0 1 382.432 0.508 20 0 GCADMN Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]2C)n1C ZINC001571211836 953081948 /nfs/dbraw/zinc/08/19/48/953081948.db2.gz HBGJUUPCRBAGSW-CMPLNLGQSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nn(C)c(C)c1C(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212112 953083900 /nfs/dbraw/zinc/08/39/00/953083900.db2.gz JAARREQSRQXZOA-GFCCVEGCSA-N 0 1 382.432 0.263 20 0 GCADMN CN1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1ccc(-c3nn[nH]n3)cn1)CC2 ZINC001571212094 953084091 /nfs/dbraw/zinc/08/40/91/953084091.db2.gz IRAYYMXQHZBQRD-CABCVRRESA-N 0 1 382.472 0.831 20 0 GCADMN Cc1cc(N[C@@H]2C[C@@H](C)N(C(=O)CCn3cncn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212184 953085042 /nfs/dbraw/zinc/08/50/42/953085042.db2.gz KRFXHBUMUUCSII-CHWSQXEVSA-N 0 1 382.432 0.075 20 0 GCADMN Cc1cc(N2CC[C@@H](NC(=O)c3cnnn3C)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212321 953086833 /nfs/dbraw/zinc/08/68/33/953086833.db2.gz LNJZQOYDUCVUQQ-NWDGAFQWSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nc(CN2CC[C@@]3(NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)CCC[C@@H]23)n[nH]1 ZINC001571212696 953089277 /nfs/dbraw/zinc/08/92/77/953089277.db2.gz OIAICYMJXMLUKE-DYVFJYSZSA-N 0 1 382.432 0.548 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)n1 ZINC001571212778 953090135 /nfs/dbraw/zinc/09/01/35/953090135.db2.gz PAMYZXBUAWJKMQ-GFCCVEGCSA-N 0 1 382.432 0.724 20 0 GCADMN Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212828 953090222 /nfs/dbraw/zinc/09/02/22/953090222.db2.gz PLNLDAHOEBEXAE-GFCCVEGCSA-N 0 1 382.432 0.227 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H]2CCCN(C(=O)CCc3c[nH]nn3)C2)n1 ZINC001571213035 953092128 /nfs/dbraw/zinc/09/21/28/953092128.db2.gz PUUASTJFTQKFCG-ZDUSSCGKSA-N 0 1 382.432 0.724 20 0 GCADMN Cc1cc(C(=O)N[C@H](C)[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571213417 953094021 /nfs/dbraw/zinc/09/40/21/953094021.db2.gz SMNVRIDHDYANGN-NEPJUHHUSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1cc(N2CCC[C@H](NC(=O)c3cnn(C)c3N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213489 953095387 /nfs/dbraw/zinc/09/53/87/953095387.db2.gz UYWPRQCJYXXLCH-NSHDSACASA-N 0 1 382.432 0.285 20 0 GCADMN Cc1cc(NCC2CCN(C(=O)c3ncn(C)n3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213484 953095855 /nfs/dbraw/zinc/09/58/55/953095855.db2.gz UXWOECDJFGHFEV-UHFFFAOYSA-N 0 1 382.432 0.085 20 0 GCADMN Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571213777 953097369 /nfs/dbraw/zinc/09/73/69/953097369.db2.gz VPDFSSJGTAMCLR-JOYOIKCWSA-N 0 1 382.432 0.235 20 0 GCADMN Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1C ZINC001571214158 953100778 /nfs/dbraw/zinc/10/07/78/953100778.db2.gz YQINXURBIOUJOH-GFCCVEGCSA-N 0 1 382.432 0.488 20 0 GCADMN C[C@@H](C(=O)Nc1cccc([C@@]2(C)COC(=O)N2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001571217642 953110085 /nfs/dbraw/zinc/11/00/85/953110085.db2.gz GQPSZRUKIOYSPL-XXFAHNHDSA-N 0 1 383.372 0.613 20 0 GCADMN O=C(N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cncc(F)c1 ZINC001571219171 953123089 /nfs/dbraw/zinc/12/30/89/953123089.db2.gz LBOUGSSENYZZNQ-GXFFZTMASA-N 0 1 383.391 0.623 20 0 GCADMN CCc1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)no1 ZINC001571222040 953130402 /nfs/dbraw/zinc/13/04/02/953130402.db2.gz ALBYKGJVPYDTFH-CMPLNLGQSA-N 0 1 383.416 0.592 20 0 GCADMN CCc1nc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571222411 953134187 /nfs/dbraw/zinc/13/41/87/953134187.db2.gz HYGHJCAZYHIMAW-KOLCDFICSA-N 0 1 383.416 0.510 20 0 GCADMN Cc1ccc(C(=O)N2CCCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571222636 953136930 /nfs/dbraw/zinc/13/69/30/953136930.db2.gz KGXLJBRQOLVTNU-ZDUSSCGKSA-N 0 1 383.412 0.928 20 0 GCADMN CCc1noc(C)c1C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571222687 953137578 /nfs/dbraw/zinc/13/75/78/953137578.db2.gz JFRGFCSUTLBNGU-LLVKDONJSA-N 0 1 383.416 0.914 20 0 GCADMN CN(C(=O)c1ccn[nH]1)C1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001571222765 953138955 /nfs/dbraw/zinc/13/89/55/953138955.db2.gz LRKGOOQZGBLIMU-UHFFFAOYSA-N 0 1 383.416 0.731 20 0 GCADMN CCc1ocnc1C(=O)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571223307 953143402 /nfs/dbraw/zinc/14/34/02/953143402.db2.gz STVGLDTWDRYYPS-NSHDSACASA-N 0 1 383.416 0.593 20 0 GCADMN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC001571223427 953143885 /nfs/dbraw/zinc/14/38/85/953143885.db2.gz RBVHWYBHHDFORI-LLVKDONJSA-N 0 1 383.416 0.303 20 0 GCADMN Cc1nocc1C(=O)N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001571223464 953143927 /nfs/dbraw/zinc/14/39/27/953143927.db2.gz RFFQEYWCENDFMD-HOTGVXAUSA-N 0 1 383.412 0.528 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571223416 953144270 /nfs/dbraw/zinc/14/42/70/953144270.db2.gz QZDWQJZUPRRROL-AAEUAGOBSA-N 0 1 383.416 0.348 20 0 GCADMN CC(C)c1cc(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)on1 ZINC001571223456 953144419 /nfs/dbraw/zinc/14/44/19/953144419.db2.gz REMJWVFNPOJCNQ-UHFFFAOYSA-N 0 1 383.416 0.811 20 0 GCADMN CCc1nc(C(=O)N[C@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001571223777 953147114 /nfs/dbraw/zinc/14/71/14/953147114.db2.gz VGTCEUKLRYMQIC-QWRGUYRKSA-N 0 1 383.416 0.782 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)Cc2cnoc2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571223892 953147745 /nfs/dbraw/zinc/14/77/45/953147745.db2.gz ZKKVWSZQWKMUNX-LBPRGKRZSA-N 0 1 383.416 0.562 20 0 GCADMN Cc1occc1C(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571224103 953148654 /nfs/dbraw/zinc/14/86/54/953148654.db2.gz YFHWNLYQNBWGDO-GOSISDBHSA-N 0 1 383.412 0.664 20 0 GCADMN CCc1cc(C(=O)N2CCC(C)(Nc3ccnc(-c4nn[nH]n4)n3)CC2)no1 ZINC001571224154 953149137 /nfs/dbraw/zinc/14/91/37/953149137.db2.gz ZOBNTEGAPCXZFR-UHFFFAOYSA-N 0 1 383.416 0.736 20 0 GCADMN Cc1cc(CCC(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001571224948 953152177 /nfs/dbraw/zinc/15/21/77/953152177.db2.gz HCLFIXQJCUKCGP-GFCCVEGCSA-N 0 1 383.416 0.268 20 0 GCADMN Cc1nc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571225675 953154730 /nfs/dbraw/zinc/15/47/30/953154730.db2.gz NGMNHWHYIZQMOS-SKDRFNHKSA-N 0 1 383.416 0.504 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCC(C(=O)NCc3ncc(C)cn3)CC2)o1 ZINC001571226631 953156714 /nfs/dbraw/zinc/15/67/14/953156714.db2.gz UGIFQQDLXFYXFO-UHFFFAOYSA-N 0 1 383.416 0.794 20 0 GCADMN Cc1cc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)no1 ZINC001571226685 953156906 /nfs/dbraw/zinc/15/69/06/953156906.db2.gz WAJKIMFARSWFAL-CMPLNLGQSA-N 0 1 383.416 0.409 20 0 GCADMN Cc1cnoc1C(=O)N[C@H](C)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571227101 953158084 /nfs/dbraw/zinc/15/80/84/953158084.db2.gz YPKLOYGLPWQGMC-NEPJUHHUSA-N 0 1 383.416 0.988 20 0 GCADMN Cc1nonc1C(=O)N1CC[C@@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571227119 953158455 /nfs/dbraw/zinc/15/84/55/953158455.db2.gz ZEQUKMINAZGTLE-ZYHUDNBSSA-N 0 1 383.416 0.646 20 0 GCADMN Cc1nonc1C(=O)N1CC[C@H]([C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571227118 953158568 /nfs/dbraw/zinc/15/85/68/953158568.db2.gz ZEQUKMINAZGTLE-PWSUYJOCSA-N 0 1 383.416 0.646 20 0 GCADMN CN1CC(C(=O)NCC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)=NC1=O ZINC001571228292 953163667 /nfs/dbraw/zinc/16/36/67/953163667.db2.gz MVWMAINQBYYVIM-UHFFFAOYSA-N 0 1 383.416 0.347 20 0 GCADMN O=C(CCc1ccon1)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571228642 953165969 /nfs/dbraw/zinc/16/59/69/953165969.db2.gz UMVCUKCCXSJMFS-GFCCVEGCSA-N 0 1 383.416 0.350 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571228639 953166074 /nfs/dbraw/zinc/16/60/74/953166074.db2.gz ULBPETWOLCCQHN-JQWIXIFHSA-N 0 1 383.416 0.409 20 0 GCADMN CCN(CC1CCN(C(=O)c2nc[nH]n2)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571228832 953166939 /nfs/dbraw/zinc/16/69/39/953166939.db2.gz WHUMVKJUCWIZGX-UHFFFAOYSA-N 0 1 383.420 0.154 20 0 GCADMN CCCn1cc(C(=O)N2CC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001571228881 953167930 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ZINC000600656554 975003016 /nfs/dbraw/zinc/00/30/16/975003016.db2.gz IOMHCHOLDOIGLM-UHFFFAOYSA-N 0 1 388.417 0.782 20 0 GCADMN CN1CC[N@@H+](CCCNC(=O)NCCOCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000635504907 975284098 /nfs/dbraw/zinc/28/40/98/975284098.db2.gz AZYLJDOUHGECDJ-QGZVFWFLSA-N 0 1 378.473 0.766 20 0 GCADMN C[N@@H+]1CCN(CCCNC(=O)NCCOCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000635504907 975284101 /nfs/dbraw/zinc/28/41/01/975284101.db2.gz AZYLJDOUHGECDJ-QGZVFWFLSA-N 0 1 378.473 0.766 20 0 GCADMN C[N@H+]1CCN(CCCNC(=O)NCCOCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000635504907 975284108 /nfs/dbraw/zinc/28/41/08/975284108.db2.gz AZYLJDOUHGECDJ-QGZVFWFLSA-N 0 1 378.473 0.766 20 0 GCADMN Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000643460990 975310429 /nfs/dbraw/zinc/31/04/29/975310429.db2.gz HQBLNBPKGJWSHV-HNNXBMFYSA-N 0 1 377.397 0.072 20 0 GCADMN CC(C)Oc1ncccc1NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001591814795 976053203 /nfs/dbraw/zinc/05/32/03/976053203.db2.gz NRVORRVUIUHCTB-CYBMUJFWSA-N 0 1 378.429 0.815 20 0 GCADMN CC(C)Oc1ncccc1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001591814795 976053216 /nfs/dbraw/zinc/05/32/16/976053216.db2.gz NRVORRVUIUHCTB-CYBMUJFWSA-N 0 1 378.429 0.815 20 0 GCADMN CC(C)[C@H](NC(=O)CN(C)CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC001591866147 976167589 /nfs/dbraw/zinc/16/75/89/976167589.db2.gz AQVLCDRYICJKII-IBGZPJMESA-N 0 1 376.501 0.966 20 0 GCADMN CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C ZINC001591907326 976310694 /nfs/dbraw/zinc/31/06/94/976310694.db2.gz MEMGBUGAGCVGAT-YYHKSVKZSA-N 0 1 381.473 0.314 20 0 GCADMN CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C ZINC001591907326 976310709 /nfs/dbraw/zinc/31/07/09/976310709.db2.gz MEMGBUGAGCVGAT-YYHKSVKZSA-N 0 1 381.473 0.314 20 0 GCADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2cc(F)cc(N(C)C)c2)CC1 ZINC001592405904 977978578 /nfs/dbraw/zinc/97/85/78/977978578.db2.gz IMMFVBHPMOZTFT-LBPRGKRZSA-N 0 1 380.420 0.838 20 0 GCADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000736198895 978309200 /nfs/dbraw/zinc/30/92/00/978309200.db2.gz CXCQYWPVCDWKQG-INIZCTEOSA-N 0 1 391.516 0.991 20 0 GCADMN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000736198895 978309209 /nfs/dbraw/zinc/30/92/09/978309209.db2.gz CXCQYWPVCDWKQG-INIZCTEOSA-N 0 1 391.516 0.991 20 0 GCADMN CC(C)C[C@@H](NC(=O)CN1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1)C(=O)[O-] ZINC000736414523 978331803 /nfs/dbraw/zinc/33/18/03/978331803.db2.gz YPDIGWIOPUKFCI-ZWKOTPCHSA-N 0 1 398.548 0.329 20 0 GCADMN C[C@H](CCNC(=O)C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1)[NH+]1CCCCC1 ZINC001592513697 978348232 /nfs/dbraw/zinc/34/82/32/978348232.db2.gz RCNLCWBXKNKQNY-OAHLLOKOSA-N 0 1 382.505 0.375 20 0 GCADMN C[N@H+]1CCC[C@H](N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)CC2)C1 ZINC000738017686 978466709 /nfs/dbraw/zinc/46/67/09/978466709.db2.gz YQTOAGZMSGZFOK-ZDUSSCGKSA-N 0 1 385.461 0.924 20 0 GCADMN C[C@H](CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[N@@H+]1CCc2sccc2C1 ZINC001592629985 978610080 /nfs/dbraw/zinc/61/00/80/978610080.db2.gz NBLHDWKYTYSTPI-RISCZKNCSA-N 0 1 377.466 0.901 20 0 GCADMN C[C@H](CNC(=O)C(=O)N[C@H]1CC=C(C(=O)[O-])C1)[N@H+]1CCc2sccc2C1 ZINC001592629985 978610082 /nfs/dbraw/zinc/61/00/82/978610082.db2.gz NBLHDWKYTYSTPI-RISCZKNCSA-N 0 1 377.466 0.901 20 0 GCADMN C[C@@H](CNC(=O)C(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)C[NH+]1CCOCC1 ZINC001592630362 978610896 /nfs/dbraw/zinc/61/08/96/978610896.db2.gz QAXXHCZNVAMCPE-QMTMVMCOSA-N 0 1 381.473 0.174 20 0 GCADMN C[C@@H](CNC(=O)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C[NH+]1CCOCC1 ZINC001592633300 978614193 /nfs/dbraw/zinc/61/41/93/978614193.db2.gz MAWZXIAJHMUYQO-JTQLQIEISA-N 0 1 385.367 0.686 20 0 GCADMN C[C@@H](CNC(=O)N1CCC[C@](O)(C2(C(=O)[O-])CCC2)C1)C[NH+]1CCOCC1 ZINC001592659404 978641080 /nfs/dbraw/zinc/64/10/80/978641080.db2.gz CMOCDWTUZJCEEV-HNAYVOBHSA-N 0 1 383.489 0.746 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000830934692 979023649 /nfs/dbraw/zinc/02/36/49/979023649.db2.gz JBMXRKYQPWXKJY-OAHLLOKOSA-N 0 1 388.424 0.088 20 0 GCADMN COC(=O)c1cc(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1C(=O)[O-] ZINC000831253017 979028989 /nfs/dbraw/zinc/02/89/89/979028989.db2.gz ZCHWNBZDEFADMD-OAHLLOKOSA-N 0 1 391.424 0.909 20 0 GCADMN COC(=O)c1cc(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1C(=O)[O-] ZINC000831253017 979028994 /nfs/dbraw/zinc/02/89/94/979028994.db2.gz ZCHWNBZDEFADMD-OAHLLOKOSA-N 0 1 391.424 0.909 20 0 GCADMN C[C@H](Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)cc1)C(=O)[O-] ZINC001592852610 979636338 /nfs/dbraw/zinc/63/63/38/979636338.db2.gz CEHSBILAMFLZOZ-IOASZLSFSA-N 0 1 377.441 0.724 20 0 GCADMN C[C@H](Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1)C(=O)[O-] ZINC001592852610 979636339 /nfs/dbraw/zinc/63/63/39/979636339.db2.gz CEHSBILAMFLZOZ-IOASZLSFSA-N 0 1 377.441 0.724 20 0 GCADMN CC[C@](COC)([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC001595195373 979914199 /nfs/dbraw/zinc/91/41/99/979914199.db2.gz RSMZELCBZUEUAY-GOSISDBHSA-N 0 1 395.412 0.965 20 0 GCADMN CC[C@@](COC)([NH2+]CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C(=O)[O-] ZINC001595195563 979915450 /nfs/dbraw/zinc/91/54/50/979915450.db2.gz SMCQQLKYMVRQSO-HNNXBMFYSA-N 0 1 382.808 0.724 20 0 GCADMN C[C@@](Cn1cccn1)([NH2+]CC(=O)N1CCN(Cc2ccsc2)CC1)C(=O)[O-] ZINC001592922980 979918800 /nfs/dbraw/zinc/91/88/00/979918800.db2.gz FZJJNYTXOYNRAP-SFHVURJKSA-N 0 1 391.497 0.722 20 0 GCADMN C[C@@]12CN(C(=O)C(=O)N3CC[C@H](C(=O)[O-])C3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000872183948 980074022 /nfs/dbraw/zinc/07/40/22/980074022.db2.gz MKOMHHNRALOBDD-XGHQBKJUSA-N 0 1 385.464 0.900 20 0 GCADMN C[C@H](NC(=O)C(=O)NCc1ccc(Cl)c(C(=O)[O-])n1)C1=CC[N@@H+](C)CC1 ZINC001592980068 980149107 /nfs/dbraw/zinc/14/91/07/980149107.db2.gz TUFNQQWONIMVKT-JTQLQIEISA-N 0 1 380.832 0.816 20 0 GCADMN C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1)c1ccc(S(N)(=O)=O)cc1 ZINC001592989534 980174333 /nfs/dbraw/zinc/17/43/33/980174333.db2.gz GVNZSGKCEPJVFA-YFQWEKLQSA-N 0 1 397.497 0.942 20 0 GCADMN Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000874411600 980185578 /nfs/dbraw/zinc/18/55/78/980185578.db2.gz RNEGHXMDUIPRPB-SJORKVTESA-N 0 1 377.441 0.691 20 0 GCADMN Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@H](C(=O)[O-])C2)C1 ZINC000874411600 980185580 /nfs/dbraw/zinc/18/55/80/980185580.db2.gz RNEGHXMDUIPRPB-SJORKVTESA-N 0 1 377.441 0.691 20 0 GCADMN Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000874411598 980185800 /nfs/dbraw/zinc/18/58/00/980185800.db2.gz RNEGHXMDUIPRPB-IAGOWNOFSA-N 0 1 377.441 0.691 20 0 GCADMN Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)C1 ZINC000874411598 980185802 /nfs/dbraw/zinc/18/58/02/980185802.db2.gz RNEGHXMDUIPRPB-IAGOWNOFSA-N 0 1 377.441 0.691 20 0 GCADMN CN(C)C(=O)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000903788105 981018423 /nfs/dbraw/zinc/01/84/23/981018423.db2.gz BXDMTNXLCKTHJK-NWDGAFQWSA-N 0 1 379.379 0.508 20 0 GCADMN CC[C@@H]1CCCCCN1C(=O)C(=O)N1CC[NH+]([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001595448001 981096411 /nfs/dbraw/zinc/09/64/11/981096411.db2.gz KIUZHCMOXVPLCX-DNVCBOLYSA-N 0 1 381.473 0.556 20 0 GCADMN COc1cc(CN(CC(=O)[O-])C(=O)C[C@]2(O)CCC[N@@H+](C)C2)cc(OC)c1 ZINC000908910359 981388433 /nfs/dbraw/zinc/38/84/33/981388433.db2.gz VWENJGJPVCNMMX-LJQANCHMSA-N 0 1 380.441 0.964 20 0 GCADMN CCC[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@@H+]1CCOC ZINC001595625719 981752728 /nfs/dbraw/zinc/75/27/28/981752728.db2.gz YVVHIKOEZFCAJT-OAHLLOKOSA-N 0 1 377.507 0.461 20 0 GCADMN CCC[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)[O-])CC2)CC[N@H+]1CCOC ZINC001595625719 981752731 /nfs/dbraw/zinc/75/27/31/981752731.db2.gz YVVHIKOEZFCAJT-OAHLLOKOSA-N 0 1 377.507 0.461 20 0 GCADMN CC(C)(C(=O)[O-])[NH+]1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000910179474 981775637 /nfs/dbraw/zinc/77/56/37/981775637.db2.gz CPWOSLBLHQVARA-FQEVSTJZSA-N 0 1 375.469 0.631 20 0 GCADMN CC(C)(C(=O)[O-])N1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000910179474 981775643 /nfs/dbraw/zinc/77/56/43/981775643.db2.gz CPWOSLBLHQVARA-FQEVSTJZSA-N 0 1 375.469 0.631 20 0 GCADMN CC(C)(C(=O)[O-])N1CCN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000910179474 981775649 /nfs/dbraw/zinc/77/56/49/981775649.db2.gz CPWOSLBLHQVARA-FQEVSTJZSA-N 0 1 375.469 0.631 20 0 GCADMN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001594889415 982281587 /nfs/dbraw/zinc/28/15/87/982281587.db2.gz DFBLIYJBNWWUJR-GVXVVHGQSA-N 0 1 381.395 0.992 20 0 GCADMN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)F)C1)C(=O)[O-] ZINC001594889415 982281597 /nfs/dbraw/zinc/28/15/97/982281597.db2.gz DFBLIYJBNWWUJR-GVXVVHGQSA-N 0 1 381.395 0.992 20 0 GCADMN CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(C(=O)NCC(F)(F)F)CC1)C(=O)[O-] ZINC001594889924 982282669 /nfs/dbraw/zinc/28/26/69/982282669.db2.gz GGIWYSVVWMJIQK-GWCFXTLKSA-N 0 1 381.395 0.992 20 0 GCADMN CCCCN(C(=O)C[N@H+]1CC[C@H](C(=O)[O-])C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC001595732121 982367002 /nfs/dbraw/zinc/36/70/02/982367002.db2.gz OFYNTYPPVMCSOH-LBPRGKRZSA-N 0 1 395.460 0.481 20 0 GCADMN CCCCNC(=O)C1CC[NH+](CN2C(=O)N[C@@](C)(CCC(=O)[O-])C2=O)CC1 ZINC001595756204 982455446 /nfs/dbraw/zinc/45/54/46/982455446.db2.gz VNFFJWYQCHXQEN-SFHVURJKSA-N 0 1 382.461 0.748 20 0 GCADMN CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1 ZINC001595783168 982565223 /nfs/dbraw/zinc/56/52/23/982565223.db2.gz IEDDDDLIQQQHIO-KBPBESRZSA-N 0 1 375.491 0.056 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H]2C)c(=O)[nH]c1=O ZINC001595803454 982624757 /nfs/dbraw/zinc/62/47/57/982624757.db2.gz SRHHBJHPLMEZIP-NEPJUHHUSA-N 0 1 395.460 0.479 20 0 GCADMN CCCN(C(=O)C(=O)Nc1cc2c(cc1C(=O)[O-])OCO2)[C@@H]1CC[N@@H+](C)C1 ZINC001595813444 982654929 /nfs/dbraw/zinc/65/49/29/982654929.db2.gz JHJHKFIMFDLBSR-LLVKDONJSA-N 0 1 377.397 0.995 20 0 GCADMN CC[C@H](C)[N@@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)[O-])C1 ZINC001594968195 982732767 /nfs/dbraw/zinc/73/27/67/982732767.db2.gz IYWHIYHWHQXGTR-IHRRRGAJSA-N 0 1 378.477 0.870 20 0 GCADMN CC[C@@H](C)NC(=O)CN1CC[NH+](CCCN2C(=O)CS/C2=C\C(=O)[O-])CC1 ZINC001594990113 982850332 /nfs/dbraw/zinc/85/03/32/982850332.db2.gz ZJVKJLLAGBUQOX-RQNDZEIBSA-N 0 1 398.529 0.410 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000926520970 982894738 /nfs/dbraw/zinc/89/47/38/982894738.db2.gz PMGNCVJREZNRGH-AWEZNQCLSA-N 0 1 399.444 0.451 20 0 GCADMN O=C([O-])[C@]1([NH+]2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)CC2)CCOC1 ZINC001118913040 982965878 /nfs/dbraw/zinc/96/58/78/982965878.db2.gz CNQGKCGANXVNLG-BEFAXECRSA-N 0 1 391.424 0.251 20 0 GCADMN 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/nfs/dbraw/zinc/95/73/81/985957381.db2.gz PPAYCBGGWJWYPI-QPSCCSFWSA-N 0 1 386.493 0.400 20 0 GCADMN CCOCCC[N@H+]1CC[C@H](NS(=O)(=O)c2n[nH]c(C)c2C(=O)[O-])[C@H](C)C1 ZINC001596917282 985959463 /nfs/dbraw/zinc/95/94/63/985959463.db2.gz UPSJEWUEXSADAP-YPMHNXCESA-N 0 1 388.490 0.832 20 0 GCADMN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)CC1 ZINC001594522205 985999627 /nfs/dbraw/zinc/99/96/27/985999627.db2.gz NDVHBHLBMZPRDW-INIZCTEOSA-N 0 1 396.532 0.573 20 0 GCADMN CC(C)N(C)C(=O)C1CCN(C(=O)CN2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)CC1 ZINC001594522207 985999860 /nfs/dbraw/zinc/99/98/60/985999860.db2.gz NDVHBHLBMZPRDW-MRXNPFEDSA-N 0 1 396.532 0.573 20 0 GCADMN Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)c(=O)n1C ZINC001599970949 986004807 /nfs/dbraw/zinc/00/48/07/986004807.db2.gz QXHZHULADKQALW-JTQLQIEISA-N 0 1 386.246 0.545 20 0 GCADMN C[C@H]1C[N@@H+](CCC(=O)[O-])CCN1CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001594522748 986014044 /nfs/dbraw/zinc/01/40/44/986014044.db2.gz WHOMQOZPSZEQRI-HNNXBMFYSA-N 0 1 398.504 0.547 20 0 GCADMN Cc1c(C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)nnn1CC1CCCC1 ZINC001599976907 986106027 /nfs/dbraw/zinc/10/60/27/986106027.db2.gz MKRPSQQPITXXAE-LJQANCHMSA-N 0 1 391.472 0.778 20 0 GCADMN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589343520 986273970 /nfs/dbraw/zinc/27/39/70/986273970.db2.gz VHWUQILXRTZRGU-OLZOCXBDSA-N 0 1 398.423 0.987 20 0 GCADMN C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC001589343520 986273978 /nfs/dbraw/zinc/27/39/78/986273978.db2.gz VHWUQILXRTZRGU-OLZOCXBDSA-N 0 1 398.423 0.987 20 0 GCADMN C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccn2)CC[C@H]1N1CC[NH+](C)CC1 ZINC001594555134 986282951 /nfs/dbraw/zinc/28/29/51/986282951.db2.gz KNCBYSDYQLURMD-UKRRQHHQSA-N 0 1 382.486 0.426 20 0 GCADMN C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC001589359980 986364335 /nfs/dbraw/zinc/36/43/35/986364335.db2.gz GGBXYVSJSWWJCN-NJSLBKSFSA-N 0 1 377.441 0.995 20 0 GCADMN C[C@@H]1CN(c2ccc(CNC(=O)N3CC[N@@H+](C)C[C@@H](C(=O)[O-])C3)cn2)CCO1 ZINC001594577499 986426229 /nfs/dbraw/zinc/42/62/29/986426229.db2.gz MFHQDESGVOFMHB-GDBMZVCRSA-N 0 1 391.472 0.465 20 0 GCADMN C[C@H](C(=O)NCC(=O)[O-])[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001589396505 986521052 /nfs/dbraw/zinc/52/10/52/986521052.db2.gz GEOPSRHVQSDROL-MCIONIFRSA-N 0 1 394.472 0.757 20 0 GCADMN C[C@H](C(=O)NCC(=O)[O-])[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001589396505 986521058 /nfs/dbraw/zinc/52/10/58/986521058.db2.gz GEOPSRHVQSDROL-MCIONIFRSA-N 0 1 394.472 0.757 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H](C)O[C@H](C(=O)[O-])C1 ZINC001589397196 986533897 /nfs/dbraw/zinc/53/38/97/986533897.db2.gz BIUYRRQDNWZCOL-AHCXZYCDSA-N 0 1 375.469 0.940 20 0 GCADMN C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H](O)C[C@@H](C(=O)[O-])C1 ZINC001589397553 986538387 /nfs/dbraw/zinc/53/83/87/986538387.db2.gz FPDLGBYLULTRKD-SZVBFZGTSA-N 0 1 389.496 0.923 20 0 GCADMN C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](O)C[C@H](C(=O)[O-])C1 ZINC001589397547 986539329 /nfs/dbraw/zinc/53/93/29/986539329.db2.gz FPDLGBYLULTRKD-AYBZRNKSSA-N 0 1 389.496 0.923 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC001589398304 986550198 /nfs/dbraw/zinc/55/01/98/986550198.db2.gz MPODAQOCNQLDKR-ATZDWAIDSA-N 0 1 389.496 0.923 20 0 GCADMN C[C@@H]1SC[C@H](C(=O)NCCC(=O)[O-])N1C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001594656365 986905516 /nfs/dbraw/zinc/90/55/16/986905516.db2.gz BBFFITBYEQPIMQ-SMDDNHRTSA-N 0 1 389.437 0.762 20 0 GCADMN C[C@H](C(=O)[O-])[N@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCC1 ZINC001589478767 986999672 /nfs/dbraw/zinc/99/96/72/986999672.db2.gz ILHACRFRKLPJCD-LLVKDONJSA-N 0 1 381.454 0.551 20 0 GCADMN C[C@H](C(=O)[O-])[N@@H+](CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCC1 ZINC001589478767 986999682 /nfs/dbraw/zinc/99/96/82/986999682.db2.gz ILHACRFRKLPJCD-LLVKDONJSA-N 0 1 381.454 0.551 20 0 GCADMN C[C@H](C(=O)[O-])c1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC001589523721 987193213 /nfs/dbraw/zinc/19/32/13/987193213.db2.gz QNWNWSAYAYTWDQ-XJKSGUPXSA-N 0 1 377.441 0.776 20 0 GCADMN C[C@H](C(=O)[O-])c1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC001589523718 987193242 /nfs/dbraw/zinc/19/32/42/987193242.db2.gz QNWNWSAYAYTWDQ-BBRMVZONSA-N 0 1 377.441 0.776 20 0 GCADMN CCc1cc(C(=O)[O-])c(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)s1 ZINC001597439301 987796448 /nfs/dbraw/zinc/79/64/48/987796448.db2.gz WRECBFCAOINVSM-WDEREUQCSA-N 0 1 381.454 0.927 20 0 GCADMN CC(C)(C)[N@H+](CC(N)=O)C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC001589795635 988191703 /nfs/dbraw/zinc/19/17/03/988191703.db2.gz HPTAOKOYFQIMDJ-CQSZACIVSA-N 0 1 390.440 0.896 20 0 GCADMN CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)CC1 ZINC001589818389 988272943 /nfs/dbraw/zinc/27/29/43/988272943.db2.gz QQLXSIHEDMJIAP-GOSISDBHSA-N 0 1 380.445 0.151 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[N@@H+]1CCO[C@H](CC(=O)[O-])C1)OC2=O ZINC001589941967 988726382 /nfs/dbraw/zinc/72/63/82/988726382.db2.gz PULUXTJDQWHYOW-CHWSQXEVSA-N 0 1 384.429 0.715 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C[N@H+]1CCO[C@H](CC(=O)[O-])C1)OC2=O ZINC001589941967 988726387 /nfs/dbraw/zinc/72/63/87/988726387.db2.gz PULUXTJDQWHYOW-CHWSQXEVSA-N 0 1 384.429 0.715 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C[C@H]1CCCS1(=O)=O)C[C@H]2C(=O)[O-] ZINC001589946963 988734295 /nfs/dbraw/zinc/73/42/95/988734295.db2.gz CCXWAHMIGDKTLU-OLZOCXBDSA-N 0 1 388.486 0.817 20 0 GCADMN CC(C)(C)OC(=O)N1CC2(C1)C[N@@H+](C[C@@H](O)C1(O)CCCC1)C[C@H]2C(=O)[O-] ZINC001589947914 988739045 /nfs/dbraw/zinc/73/90/45/988739045.db2.gz INTTZPCFIUKONQ-UONOGXRCSA-N 0 1 384.473 0.906 20 0 GCADMN CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3C[N@H+](CC(=O)[O-])CC[C@H]32)CC1 ZINC001589981518 988852664 /nfs/dbraw/zinc/85/26/64/988852664.db2.gz CJCKZVAIZYIOBJ-ZIAGYGMSSA-N 0 1 382.461 0.939 20 0 GCADMN CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](N2C(=O)CNC2=O)C[C@H]1C(=O)[O-] ZINC001597703692 988942650 /nfs/dbraw/zinc/94/26/50/988942650.db2.gz VSMZEYSNPSPOBP-WOPDTQHZSA-N 0 1 377.401 0.003 20 0 GCADMN CC(C)(C)OC(=O)N1CCN(C(=O)CC[N@H+]2C[C@@H](O)C[C@H](C(=O)[O-])C2)CC1 ZINC001590051314 989081768 /nfs/dbraw/zinc/08/17/68/989081768.db2.gz NOAMGCINIHBPBP-KBPBESRZSA-N 0 1 385.461 0.223 20 0 GCADMN C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)O[C@H]1C(=O)[O-] ZINC001599875513 989413005 /nfs/dbraw/zinc/41/30/05/989413005.db2.gz UHZURHGSTOABNZ-BZZMCLGOSA-N 0 1 375.469 0.797 20 0 GCADMN C[C@@H]1C[C@H](C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)O[C@H]1C(=O)[O-] ZINC001599875513 989413013 /nfs/dbraw/zinc/41/30/13/989413013.db2.gz UHZURHGSTOABNZ-BZZMCLGOSA-N 0 1 375.469 0.797 20 0 GCADMN CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C[N@H+]2CCO[C@H](C(=O)[O-])C2)C1 ZINC001590148470 989441422 /nfs/dbraw/zinc/44/14/22/989441422.db2.gz ZSUALTLJSVAUKT-KGLIPLIRSA-N 0 1 385.461 0.535 20 0 GCADMN C[C@]12C[N@H+](C[C@H](O)COc3ccc(C(=O)[O-])cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001599884202 989528397 /nfs/dbraw/zinc/52/83/97/989528397.db2.gz MMZNKXMLMDHREF-JCGIZDLHSA-N 0 1 383.466 0.881 20 0 GCADMN C[C@]12C[N@@H+](C[C@H](O)COc3ccc(C(=O)[O-])cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC001599884202 989528399 /nfs/dbraw/zinc/52/83/99/989528399.db2.gz MMZNKXMLMDHREF-JCGIZDLHSA-N 0 1 383.466 0.881 20 0 GCADMN CCn1c(C[N@@H+]2CC[C@@](O)(C(=O)[O-])C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001597850962 989595187 /nfs/dbraw/zinc/59/51/87/989595187.db2.gz XAVARUDAOXGATC-KRWDZBQOSA-N 0 1 396.469 0.328 20 0 GCADMN CCn1c(C[N@H+]2CC[C@@](O)(C(=O)[O-])C2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC001597850962 989595197 /nfs/dbraw/zinc/59/51/97/989595197.db2.gz XAVARUDAOXGATC-KRWDZBQOSA-N 0 1 396.469 0.328 20 0 GCADMN CCn1c(N)c(C(=O)C[N@H+]2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c(=O)[nH]c1=O ZINC001597859662 989630398 /nfs/dbraw/zinc/63/03/98/989630398.db2.gz XEJBPJIJTWUXPX-WOPDTQHZSA-N 0 1 378.429 0.699 20 0 GCADMN CCn1nc(C)c(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c1C ZINC001597933381 989895022 /nfs/dbraw/zinc/89/50/22/989895022.db2.gz JYGBFGRQGBHKQB-LBPRGKRZSA-N 0 1 379.461 0.143 20 0 GCADMN CCn1nc(C)c(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1C ZINC001597933381 989895023 /nfs/dbraw/zinc/89/50/23/989895023.db2.gz JYGBFGRQGBHKQB-LBPRGKRZSA-N 0 1 379.461 0.143 20 0 GCADMN CN(C(=O)C(=O)N1CC[NH+]([C@@]2(C(=O)[O-])CCOC2)CC1)C(C1CC1)C1CC1 ZINC001597983154 990057363 /nfs/dbraw/zinc/05/73/63/990057363.db2.gz QMZVOGMYUUPVBY-IBGZPJMESA-N 0 1 379.457 0.021 20 0 GCADMN CC(C)(C)c1nnc(CNC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)[nH]1 ZINC001590538669 990160676 /nfs/dbraw/zinc/16/06/76/990160676.db2.gz LGATXBXHCOIRKC-QGZVFWFLSA-N 0 1 380.449 0.173 20 0 GCADMN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)Cc1ccccc1C(=O)[O-] ZINC001598117641 990523507 /nfs/dbraw/zinc/52/35/07/990523507.db2.gz BOUBWRLRLBNQOP-MRXNPFEDSA-N 0 1 397.497 0.747 20 0 GCADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1C(=O)[O-] 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YCFFMALZIWXDAN-LQWHRVPQSA-N 0 1 387.480 0.720 20 0 GCADMN CNC(=O)C1CC[NH+](CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)CC1 ZINC001598639335 994292055 /nfs/dbraw/zinc/29/20/55/994292055.db2.gz SIJYDMVWYJHVOQ-UHFFFAOYSA-N 0 1 377.397 0.568 20 0 GCADMN CNC(=O)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001598642878 994339163 /nfs/dbraw/zinc/33/91/63/994339163.db2.gz LYZGQWOFYNMWJF-UHFFFAOYSA-N 0 1 392.456 0.502 20 0 GCADMN CNC(=O)Cc1ccc(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)cc1 ZINC001598646984 994387169 /nfs/dbraw/zinc/38/71/69/994387169.db2.gz HWWWVPCZLZIEOM-IBGZPJMESA-N 0 1 390.440 0.368 20 0 GCADMN CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001598648672 994410660 /nfs/dbraw/zinc/41/06/60/994410660.db2.gz GBLLVKFFFHDWPH-XHDPSFHLSA-N 0 1 394.428 0.350 20 0 GCADMN CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001598648672 994410668 /nfs/dbraw/zinc/41/06/68/994410668.db2.gz GBLLVKFFFHDWPH-XHDPSFHLSA-N 0 1 394.428 0.350 20 0 GCADMN CNC(=O)NC(=O)CC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001598651568 994450958 /nfs/dbraw/zinc/45/09/58/994450958.db2.gz ISUQRJPFBUKUNA-LASWEOPPSA-N 0 1 383.445 0.587 20 0 GCADMN CNC(=O)Cn1ccc2ccc(NC(=O)N3CC[N@@H+](C)C[C@H](C(=O)[O-])C3)cc21 ZINC001598651538 994451085 /nfs/dbraw/zinc/45/10/85/994451085.db2.gz RGXXZKGSDTWSAJ-AWEZNQCLSA-N 0 1 387.440 0.867 20 0 GCADMN CNC(=O)c1ccc(C)c(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001598656929 994536453 /nfs/dbraw/zinc/53/64/53/994536453.db2.gz ZJVRWTLFWJEPMR-IBGZPJMESA-N 0 1 390.440 0.748 20 0 GCADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001598660707 994591775 /nfs/dbraw/zinc/59/17/75/994591775.db2.gz QQAYZZYZYRXTPE-BXUZGUMPSA-N 0 1 386.412 0.610 20 0 GCADMN CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)c1 ZINC001598660707 994591785 /nfs/dbraw/zinc/59/17/85/994591785.db2.gz QQAYZZYZYRXTPE-BXUZGUMPSA-N 0 1 386.412 0.610 20 0 GCADMN C[NH2+][C@@H](C(=O)N[C@H]1CCN(c2sccc2C(=O)[O-])C1=O)c1cnn(C)c1 ZINC001598662266 994617177 /nfs/dbraw/zinc/61/71/77/994617177.db2.gz WNOHVFDAHRLPQY-NWDGAFQWSA-N 0 1 377.426 0.362 20 0 GCADMN CNS(=O)(=O)CC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001598671979 994772107 /nfs/dbraw/zinc/77/21/07/994772107.db2.gz KKGNQQSMJPARNM-BGMSHATGSA-N 0 1 376.475 0.290 20 0 GCADMN CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc(C(=O)[O-])n(C)c3)CC2)cc1 ZINC001598675311 994832691 /nfs/dbraw/zinc/83/26/91/994832691.db2.gz OZYSUKJUTLUSAT-UHFFFAOYSA-N 0 1 392.481 0.954 20 0 GCADMN C[C@](O)(C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC001593396534 995142678 /nfs/dbraw/zinc/14/26/78/995142678.db2.gz OWCVQLZWYNBKKN-JCGIZDLHSA-N 0 1 383.466 0.721 20 0 GCADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001598763382 995802328 /nfs/dbraw/zinc/80/23/28/995802328.db2.gz QTJZUDWFHTXNLF-HNKHHVNMSA-N 0 1 392.456 0.320 20 0 GCADMN COC(=O)C1CCC(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)CC1 ZINC001598786127 996030843 /nfs/dbraw/zinc/03/08/43/996030843.db2.gz AAOAGAGEURWRRW-JRSKDTKFSA-N 0 1 383.445 0.289 20 0 GCADMN COC(=O)C1CCC(S(=O)(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)CC1 ZINC001598787387 996041362 /nfs/dbraw/zinc/04/13/62/996041362.db2.gz LQTRHRMYWGDNDW-HSBZDZAISA-N 0 1 376.475 0.529 20 0 GCADMN COC(=O)C1CCC(S(=O)(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)CC1 ZINC001598787387 996041366 /nfs/dbraw/zinc/04/13/66/996041366.db2.gz LQTRHRMYWGDNDW-HSBZDZAISA-N 0 1 376.475 0.529 20 0 GCADMN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC001598787582 996042763 /nfs/dbraw/zinc/04/27/63/996042763.db2.gz KXSQUDNAUUBPTH-MCIONIFRSA-N 0 1 376.475 0.529 20 0 GCADMN COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC001598787582 996042765 /nfs/dbraw/zinc/04/27/65/996042765.db2.gz KXSQUDNAUUBPTH-MCIONIFRSA-N 0 1 376.475 0.529 20 0 GCADMN COC(=O)[C@@H]1CC[N@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]1C ZINC001598798647 996125562 /nfs/dbraw/zinc/12/55/62/996125562.db2.gz GBVSKYNFTLMDPZ-SMDDNHRTSA-N 0 1 375.381 0.994 20 0 GCADMN COC(=O)[C@@H]1CC[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]1C ZINC001598798647 996125566 /nfs/dbraw/zinc/12/55/66/996125566.db2.gz GBVSKYNFTLMDPZ-SMDDNHRTSA-N 0 1 375.381 0.994 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)C[C@@H]1C(=O)[O-] ZINC001598805971 996186705 /nfs/dbraw/zinc/18/67/05/996186705.db2.gz GCVPHSMVYVORSP-XHSDSOJGSA-N 0 1 375.425 0.768 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)C[C@@H]1C(=O)[O-] ZINC001598805971 996186710 /nfs/dbraw/zinc/18/67/10/996186710.db2.gz GCVPHSMVYVORSP-XHSDSOJGSA-N 0 1 375.425 0.768 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)C[C@H]1C(=O)[O-] ZINC001598805967 996186879 /nfs/dbraw/zinc/18/68/79/996186879.db2.gz GCVPHSMVYVORSP-BZUAXINKSA-N 0 1 375.425 0.768 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)C[C@H]1C(=O)[O-] ZINC001598805967 996186885 /nfs/dbraw/zinc/18/68/85/996186885.db2.gz GCVPHSMVYVORSP-BZUAXINKSA-N 0 1 375.425 0.768 20 0 GCADMN COC(=O)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1C(=O)[O-] ZINC001598807360 996199569 /nfs/dbraw/zinc/19/95/69/996199569.db2.gz IPZRPKHWCXMLMU-QZWWFDLISA-N 0 1 389.452 0.847 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C(=O)[O-] ZINC001598809869 996221843 /nfs/dbraw/zinc/22/18/43/996221843.db2.gz UIFJVMBGMUQBPK-YRNRMSPPSA-N 0 1 390.436 0.346 20 0 GCADMN C[C@@H](c1cccnc1)N1C(=O)C[C@@H]([NH+]2CCC(n3cc(C(=O)[O-])nn3)CC2)C1=O ZINC001593719607 996244644 /nfs/dbraw/zinc/24/46/44/996244644.db2.gz PUEFYWPITLZYKB-BLLLJJGKSA-N 0 1 398.423 0.897 20 0 GCADMN COC(=O)[C@H]1CN(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)CC[N@@H+](C)C1 ZINC001598816943 996280045 /nfs/dbraw/zinc/28/00/45/996280045.db2.gz FMAVFJBPINOFND-NTXUUIFSSA-N 0 1 399.513 0.862 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2cc(C)cc(C)c2)C[C@@H]1C(=O)[O-] ZINC001598819280 996306591 /nfs/dbraw/zinc/30/65/91/996306591.db2.gz NUXAABFINXJTLN-DLBZAZTESA-N 0 1 392.452 0.946 20 0 GCADMN COC(=O)[C@@H]1C[N@H+](CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598819526 996309283 /nfs/dbraw/zinc/30/92/83/996309283.db2.gz DSKMLMKFEGPUAH-IACUBPJLSA-N 0 1 375.381 0.607 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)C[C@H]1C(=O)[O-] ZINC001598819526 996309288 /nfs/dbraw/zinc/30/92/88/996309288.db2.gz DSKMLMKFEGPUAH-IACUBPJLSA-N 0 1 375.381 0.607 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H]1C(=O)[O-] ZINC001598820598 996321906 /nfs/dbraw/zinc/32/19/06/996321906.db2.gz HVGDMBIUVBICNV-HZPDHXFCSA-N 0 1 386.408 0.294 20 0 GCADMN COC(=O)[C@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@@H+](C)C1 ZINC001598821232 996329933 /nfs/dbraw/zinc/32/99/33/996329933.db2.gz XGGASHAODATOIH-CZUORRHYSA-N 0 1 377.441 0.426 20 0 GCADMN COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)C[C@@H]1C(=O)[O-] ZINC001598821355 996330741 /nfs/dbraw/zinc/33/07/41/996330741.db2.gz YYZFRSPZWQYQLY-FPMFFAJLSA-N 0 1 396.415 0.987 20 0 GCADMN COC(=O)[C@H]1C[N@@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC001598821487 996332956 /nfs/dbraw/zinc/33/29/56/996332956.db2.gz ZFUMQYUFUWEQLA-CVEARBPZSA-N 0 1 396.415 0.859 20 0 GCADMN COC(=O)[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1C(=O)[O-] ZINC001598821860 996337663 /nfs/dbraw/zinc/33/76/63/996337663.db2.gz MSNMXWPZOLOWIE-ZIAGYGMSSA-N 0 1 389.408 0.323 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(=O)NC2CC2)C[C@H]1C(=O)[O-] ZINC001598821860 996337668 /nfs/dbraw/zinc/33/76/68/996337668.db2.gz MSNMXWPZOLOWIE-ZIAGYGMSSA-N 0 1 389.408 0.323 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2C[C@@H](c3cccc(OC)c3)CC2=O)C[C@@H]1C(=O)[O-] ZINC001598827337 996397283 /nfs/dbraw/zinc/39/72/83/996397283.db2.gz KQFULANGGWZJEB-CWRNSKLLSA-N 0 1 376.409 0.774 20 0 GCADMN COC(=O)[C@@H]1C[N@H+](CN2CCN(Cc3cccc(F)c3)C2=O)C[C@H]1C(=O)[O-] ZINC001598829938 996425881 /nfs/dbraw/zinc/42/58/81/996425881.db2.gz VKRSJRPHZLRIIZ-HUUCEWRRSA-N 0 1 379.388 0.826 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2CCN(Cc3cccc(F)c3)C2=O)C[C@H]1C(=O)[O-] ZINC001598829938 996425882 /nfs/dbraw/zinc/42/58/82/996425882.db2.gz VKRSJRPHZLRIIZ-HUUCEWRRSA-N 0 1 379.388 0.826 20 0 GCADMN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598831201 996438711 /nfs/dbraw/zinc/43/87/11/996438711.db2.gz RGAGHKBRCNFKJR-AEFFLSMTSA-N 0 1 390.436 0.270 20 0 GCADMN C[C@@]1(C(=O)[O-])CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC001593775787 996472304 /nfs/dbraw/zinc/47/23/04/996472304.db2.gz BTCATJZJVURKOS-GOSISDBHSA-N 0 1 397.497 0.570 20 0 GCADMN C[C@]1(C(N)=O)CC[N@@H+](C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)[O-])C1 ZINC001593815654 996550777 /nfs/dbraw/zinc/55/07/77/996550777.db2.gz NMZOZMIMAKZIBM-KUHUBIRLSA-N 0 1 388.424 0.508 20 0 GCADMN 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CCCN1CC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)NCC)C1 ZINC000660026656 531002053 /nfs/dbraw/zinc/00/20/53/531002053.db2.gz IGUPDAOUQBFUFJ-CYBMUJFWSA-N 0 1 375.516 0.747 20 0 GCADMN CCCN1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)C1 ZINC000660028968 531002063 /nfs/dbraw/zinc/00/20/63/531002063.db2.gz ZURPSVUDLGHENC-CYBMUJFWSA-N 0 1 375.516 0.666 20 0 GCADMN Cc1nc(S(=O)(=O)N2CCN(CCN3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000660063484 531002262 /nfs/dbraw/zinc/00/22/62/531002262.db2.gz CNPNXLANYDCANR-KBPBESRZSA-N 0 1 388.559 0.867 20 0 GCADMN Cn1cc([C@H]2CSCCN2C(=O)c2cc(S(N)(=O)=O)ccc2O)cn1 ZINC000613937003 531004441 /nfs/dbraw/zinc/00/44/41/531004441.db2.gz UPBHSOKBPRBZKL-CYBMUJFWSA-N 0 1 382.467 0.703 20 0 GCADMN CN(C)S(=O)(=O)NCC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000665385478 531062903 /nfs/dbraw/zinc/06/29/03/531062903.db2.gz DZYHGSIYJYAUOG-OAHLLOKOSA-N 0 1 388.921 0.989 20 0 GCADMN CC(C)[C@@H](CNC(=O)Nc1nn(C)cc1Br)N1CCN(C)CC1 ZINC000640308255 531063860 /nfs/dbraw/zinc/06/38/60/531063860.db2.gz 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396.441 0.993 20 0 GCADMN COC[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1n[nH]c(C)c1C ZINC000349491519 531054815 /nfs/dbraw/zinc/05/48/15/531054815.db2.gz IDINPDWESWPOPD-ZDUSSCGKSA-N 0 1 394.519 0.599 20 0 GCADMN C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cc2ccccn2n1)C1CC1 ZINC000349551501 531054942 /nfs/dbraw/zinc/05/49/42/531054942.db2.gz KVARUHTWRYGFNX-LBPRGKRZSA-N 0 1 386.499 1.184 20 0 GCADMN CC[C@H]1CN(C(=O)NC2CCC(S(C)(=O)=O)CC2)CCN1C[C@@H](C)O ZINC000541486861 531058606 /nfs/dbraw/zinc/05/86/06/531058606.db2.gz OJWNRPGCFAMBAD-CIDNJEQPSA-N 0 1 375.535 0.829 20 0 GCADMN CCOCCCN1CC[C@H](NC(=O)N[C@H]2CCCS(=O)(=O)C2)[C@H](C)C1 ZINC000541826759 531060989 /nfs/dbraw/zinc/06/09/89/531060989.db2.gz GMWJREPDBOFVDC-PMPSAXMXSA-N 0 1 375.535 1.000 20 0 GCADMN Cc1cc(NS(=O)(=O)CCCCS(=O)(=O)N2CC[C@@H](F)C2)ccn1 ZINC000349593314 531074046 /nfs/dbraw/zinc/07/40/46/531074046.db2.gz SEUVBPBRAANMBA-CYBMUJFWSA-N 0 1 379.479 0.707 20 0 GCADMN C[C@@H]1CN(S(=O)(=O)CCCCS(=O)(=O)Nc2ccn(C)n2)C[C@H]1C ZINC000349622447 531080579 /nfs/dbraw/zinc/08/05/79/531080579.db2.gz RJGSGODSAPMSOC-CHWSQXEVSA-N 0 1 378.520 0.860 20 0 GCADMN C[C@@H]1CN(C[C@@H](O)CN2CC(S(=O)(=O)NC3CCCC3)C2)C[C@H](C)O1 ZINC000547813279 531104425 /nfs/dbraw/zinc/10/44/25/531104425.db2.gz UPOVRPGJZBYZBS-IJEWVQPXSA-N 0 1 375.535 0.003 20 0 GCADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCCCS(N)(=O)=O)c1 ZINC000514928016 531084541 /nfs/dbraw/zinc/08/45/41/531084541.db2.gz POIHPXXYJKIZPK-UHFFFAOYSA-N 0 1 378.472 0.973 20 0 GCADMN COc1cncc(NS(=O)(=O)CCCS(=O)(=O)N2CCCCCC2)n1 ZINC000348483742 531086837 /nfs/dbraw/zinc/08/68/37/531086837.db2.gz WTYFKVDAYBIRLC-UHFFFAOYSA-N 0 1 392.503 0.823 20 0 GCADMN COc1cncc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CC=CCC2)n1 ZINC000348396393 531086970 /nfs/dbraw/zinc/08/69/70/531086970.db2.gz WQMWPQLHJYJLQD-LBPRGKRZSA-N 0 1 390.487 0.645 20 0 GCADMN COc1cncc(NS(=O)(=O)CCCS(=O)(=O)N2C[C@H](C)C[C@@H]2C)n1 ZINC000348343172 531087061 /nfs/dbraw/zinc/08/70/61/531087061.db2.gz JZQNSIDTNVOCJC-NEPJUHHUSA-N 0 1 392.503 0.677 20 0 GCADMN COc1cncc(NS(=O)(=O)CCCS(=O)(=O)N[C@H]2CCC2(C)C)n1 ZINC000348389248 531087386 /nfs/dbraw/zinc/08/73/86/531087386.db2.gz QQQFRUORTUSCKX-NSHDSACASA-N 0 1 392.503 0.725 20 0 GCADMN COc1cncc(NS(=O)(=O)CCCS(=O)(=O)N2CC=C(C)CC2)n1 ZINC000348340343 531087395 /nfs/dbraw/zinc/08/73/95/531087395.db2.gz HHSIAXNSLSLYBL-UHFFFAOYSA-N 0 1 390.487 0.599 20 0 GCADMN O=C(NC[C@H]1COCCN1)C(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000626882215 531089852 /nfs/dbraw/zinc/08/98/52/531089852.db2.gz HLBLFGNPRLAOJZ-JTQLQIEISA-N 0 1 383.246 0.765 20 0 GCADMN O=C(NC[C@@H]1COCCN1)C(=O)Nc1cc(Br)c(F)cc1F ZINC000626882014 531089931 /nfs/dbraw/zinc/08/99/31/531089931.db2.gz CEBVMFLPDKFLMR-SSDOTTSWSA-N 0 1 378.173 0.770 20 0 GCADMN O=C(NC[C@H]1COCCN1)C(=O)Nc1cc(F)c(Br)cc1F ZINC000626881426 531090030 /nfs/dbraw/zinc/09/00/30/531090030.db2.gz RZBNGOSNZVPAPL-ZETCQYMHSA-N 0 1 378.173 0.770 20 0 GCADMN CCOc1ccc(NC(=O)C(=O)NC[C@H]2COCCN2)cc1Br ZINC000626880693 531090041 /nfs/dbraw/zinc/09/00/41/531090041.db2.gz FANMEAGLQRDNTI-NSHDSACASA-N 0 1 386.246 0.891 20 0 GCADMN CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCC[NH3+])c(OC)c1 ZINC000516288780 531095529 /nfs/dbraw/zinc/09/55/29/531095529.db2.gz XZEFYINKPCJRAL-UHFFFAOYSA-N 0 1 379.504 0.816 20 0 GCADMN CN(CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C1CC1 ZINC000547473521 531098216 /nfs/dbraw/zinc/09/82/16/531098216.db2.gz JITBHPGHNNSMKO-UHFFFAOYSA-N 0 1 387.527 0.844 20 0 GCADMN C[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)N1CCCC1 ZINC000547714703 531102809 /nfs/dbraw/zinc/10/28/09/531102809.db2.gz SCZYSNHTVOQOPJ-ZDUSSCGKSA-N 0 1 387.527 0.890 20 0 GCADMN Cn1cc(Br)c(=O)c(NC(=O)N2CCN(Cc3nnc[nH]3)CC2)c1 ZINC000666698371 531102988 /nfs/dbraw/zinc/10/29/88/531102988.db2.gz KTWYWSLKVUKLBQ-UHFFFAOYSA-N 0 1 396.249 0.616 20 0 GCADMN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC(O)(C(F)F)CC2)c1 ZINC000428656810 531103528 /nfs/dbraw/zinc/10/35/28/531103528.db2.gz KSTIDVYPFCLZFX-UHFFFAOYSA-N 0 1 378.397 0.875 20 0 GCADMN CC(=O)Nc1cccnc1NS(=O)(=O)CCCCS(=O)(=O)NC(C)C ZINC000349570895 531069264 /nfs/dbraw/zinc/06/92/64/531069264.db2.gz YEHIRFSTJVIEMQ-UHFFFAOYSA-N 0 1 392.503 0.890 20 0 GCADMN CC(C)[C@@H]1CNCCN1C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000626846584 531069904 /nfs/dbraw/zinc/06/99/04/531069904.db2.gz MDSKVWUESWPNAA-LBPRGKRZSA-N 0 1 385.262 0.543 20 0 GCADMN CCCNc1nnc(S(=O)(=O)C(C)C(=O)NC(=O)NC(C)(C)C)s1 ZINC000414208974 531072005 /nfs/dbraw/zinc/07/20/05/531072005.db2.gz MOYKEKZDEMBXCK-MRVPVSSYSA-N 0 1 377.492 1.147 20 0 GCADMN CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(S(N)(=O)=O)ccc1O ZINC000667703371 531107035 /nfs/dbraw/zinc/10/70/35/531107035.db2.gz NJIYQJRPKYKKBS-SKDRFNHKSA-N 0 1 387.483 0.469 20 0 GCADMN CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1cc(S(N)(=O)=O)ccc1O ZINC000667704551 531107153 /nfs/dbraw/zinc/10/71/53/531107153.db2.gz MJMDWDLHUYISJV-LBPRGKRZSA-N 0 1 387.483 0.327 20 0 GCADMN NS(=O)(=O)c1ccc(O)c(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 ZINC000667704299 531107298 /nfs/dbraw/zinc/10/72/98/531107298.db2.gz GJIZOIUKPWIAAI-LBPRGKRZSA-N 0 1 385.467 0.081 20 0 GCADMN CNS(=O)(=O)c1cccc([C@H](C)NCCNS(=O)(=O)NC(C)C)c1 ZINC000429449323 531108077 /nfs/dbraw/zinc/10/80/77/531108077.db2.gz KEXFEFUJITUIDL-LBPRGKRZSA-N 0 1 378.520 0.078 20 0 GCADMN C[C@H](O)CN1CCN(Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000547968511 531108756 /nfs/dbraw/zinc/10/87/56/531108756.db2.gz WJSWQRLESMAORB-LBPRGKRZSA-N 0 1 381.274 0.955 20 0 GCADMN COC(=O)c1sccc1NC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000429713964 531109234 /nfs/dbraw/zinc/10/92/34/531109234.db2.gz FEPFLOXBFUFGRV-MNOVXSKESA-N 0 1 389.499 0.923 20 0 GCADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)NCCO[C@@H]1CCCCO1 ZINC000615069927 531110181 /nfs/dbraw/zinc/11/01/81/531110181.db2.gz AZQNQLPOMKMBLR-CQSZACIVSA-N 0 1 378.397 0.903 20 0 GCADMN CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(CCO)C(C)(C)C2)s1 ZINC000672705049 531113749 /nfs/dbraw/zinc/11/37/49/531113749.db2.gz SUAXTVDWAPUQSJ-UHFFFAOYSA-N 0 1 390.531 0.254 20 0 GCADMN O=C(NCc1nn[nH]n1)C(=O)Nc1ccc2nccnc2c1Br ZINC000672917975 531115118 /nfs/dbraw/zinc/11/51/18/531115118.db2.gz DKFZTCRGGTUUHJ-UHFFFAOYSA-N 0 1 377.162 0.160 20 0 GCADMN O=C(NCc1nn[nH]n1)C(=O)Nc1cccc2cc(Br)cnc21 ZINC000672917966 531115166 /nfs/dbraw/zinc/11/51/66/531115166.db2.gz BPBUWXCOIPOLIE-UHFFFAOYSA-N 0 1 376.174 0.765 20 0 GCADMN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)N1CCCC1 ZINC000548369984 531115265 /nfs/dbraw/zinc/11/52/65/531115265.db2.gz UBRTVMPMLMEIEK-ZDUSSCGKSA-N 0 1 375.516 0.747 20 0 GCADMN COC[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000263280317 531117118 /nfs/dbraw/zinc/11/71/18/531117118.db2.gz ZZEXTWZEQPPJPI-CYBMUJFWSA-N 0 1 396.296 0.800 20 0 GCADMN CNS(=O)(=O)c1cc(NC(=O)c2cc(S(N)(=O)=O)oc2C)ccc1O ZINC000673448257 531117360 /nfs/dbraw/zinc/11/73/60/531117360.db2.gz YZHPXDDVCFEJNO-UHFFFAOYSA-N 0 1 389.411 0.101 20 0 GCADMN C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(N)=O)c1ncc(Br)cn1 ZINC000431936659 531119293 /nfs/dbraw/zinc/11/92/93/531119293.db2.gz JWQAZNOXSNRLMY-ZYHUDNBSSA-N 0 1 399.293 0.939 20 0 GCADMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000673740173 531119603 /nfs/dbraw/zinc/11/96/03/531119603.db2.gz SSFZQZAWDVFRPJ-UHFFFAOYSA-N 0 1 386.421 0.845 20 0 GCADMN CN(C)CC(=O)N1CCN(C(=O)COc2ccc(Br)cn2)CC1 ZINC000630719950 531122057 /nfs/dbraw/zinc/12/20/57/531122057.db2.gz FHWCDZWJQJEZLC-UHFFFAOYSA-N 0 1 385.262 0.455 20 0 GCADMN Cn1cc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@@H]2CO)c(C(F)(F)F)n1 ZINC000549374018 531126780 /nfs/dbraw/zinc/12/67/80/531126780.db2.gz SYEQVWPRUALVCQ-LLVKDONJSA-N 0 1 384.424 0.954 20 0 GCADMN Cn1cc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@@H]2CO)c(C(F)(F)F)n1 ZINC000549374018 531126781 /nfs/dbraw/zinc/12/67/81/531126781.db2.gz SYEQVWPRUALVCQ-LLVKDONJSA-N 0 1 384.424 0.954 20 0 GCADMN Cn1cc(S(=O)(=O)[N-]CCCC[N@@H+]2CCC[C@H]2CO)c(C(F)(F)F)n1 ZINC000549374020 531126795 /nfs/dbraw/zinc/12/67/95/531126795.db2.gz SYEQVWPRUALVCQ-NSHDSACASA-N 0 1 384.424 0.954 20 0 GCADMN Cn1cc(S(=O)(=O)[N-]CCCC[N@H+]2CCC[C@H]2CO)c(C(F)(F)F)n1 ZINC000549374020 531126796 /nfs/dbraw/zinc/12/67/96/531126796.db2.gz SYEQVWPRUALVCQ-NSHDSACASA-N 0 1 384.424 0.954 20 0 GCADMN CN(CCCN1CCN(C)CC1)S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000549774708 531128908 /nfs/dbraw/zinc/12/89/08/531128908.db2.gz QEHPENYVPRQUSS-UHFFFAOYSA-N 0 1 383.440 0.697 20 0 GCADMN C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)NCC1(N(C)C)CCCCC1 ZINC000550319416 531131627 /nfs/dbraw/zinc/13/16/27/531131627.db2.gz ALKBWQBFHDANCU-KBPBESRZSA-N 0 1 375.535 0.647 20 0 GCADMN CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)S(C)(=O)=O)N1CCCCCC1 ZINC000550366151 531131692 /nfs/dbraw/zinc/13/16/92/531131692.db2.gz WKTBUUDBLQWOBZ-CABCVRRESA-N 0 1 375.535 0.553 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N(CCCN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000434775998 531137750 /nfs/dbraw/zinc/13/77/50/531137750.db2.gz MBKAKTMEURJRDX-HNNXBMFYSA-N 0 1 375.535 0.506 20 0 GCADMN CC(C)NC(=O)CCCC(=O)N(CCCN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000434766389 531137778 /nfs/dbraw/zinc/13/77/78/531137778.db2.gz FNGDXLJCCGFMOV-OAHLLOKOSA-N 0 1 375.535 0.649 20 0 GCADMN CNC(=O)Cc1noc(CNS(=O)(=O)c2ccc(Br)s2)n1 ZINC000162847990 531138408 /nfs/dbraw/zinc/13/84/08/531138408.db2.gz UOQPWNBHJYNREI-UHFFFAOYSA-N 0 1 395.260 0.661 20 0 GCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC[C@H](O)C(F)F ZINC000551677788 531138977 /nfs/dbraw/zinc/13/89/77/531138977.db2.gz HSHXSJAQQSHZRP-JTQLQIEISA-N 0 1 388.414 0.361 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2n[nH]c3ccc(Br)cc32)C[C@H]1O ZINC000435691445 531142656 /nfs/dbraw/zinc/14/26/56/531142656.db2.gz LGQZYWVIJSONLV-NWDGAFQWSA-N 0 1 397.229 0.527 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)COc2c(Cl)cccc2Cl)C[C@H]1O ZINC000435692898 531142695 /nfs/dbraw/zinc/14/26/95/531142695.db2.gz RLQUJWGYOGHQNE-VXGBXAGGSA-N 0 1 377.224 0.960 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@H]1O ZINC000435707546 531142976 /nfs/dbraw/zinc/14/29/76/531142976.db2.gz XRDDXCZGPANHCC-VXGBXAGGSA-N 0 1 377.224 0.960 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)C[C@H]1O ZINC000435705534 531143044 /nfs/dbraw/zinc/14/30/44/531143044.db2.gz NJGPJZJGRRIXDO-CHWSQXEVSA-N 0 1 377.224 0.960 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2ccc(Br)c(F)c2)C[C@H]1O ZINC000435704571 531143199 /nfs/dbraw/zinc/14/31/99/531143199.db2.gz FLRAIFVGVBAMNU-NWDGAFQWSA-N 0 1 375.194 0.790 20 0 GCADMN CCN(CCNC(=O)C1CCN(S(=O)(=O)NC)CC1)CCC(F)(F)F ZINC000552518910 531145017 /nfs/dbraw/zinc/14/50/17/531145017.db2.gz OTJWXPBJXPPHFQ-UHFFFAOYSA-N 0 1 388.456 0.553 20 0 GCADMN CCN(CC)S(=O)(=O)CCNC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000436260247 531145830 /nfs/dbraw/zinc/14/58/30/531145830.db2.gz LTDDQVVZQRWAGH-CQSZACIVSA-N 0 1 378.539 0.145 20 0 GCADMN Cn1cnc(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)n1 ZINC000615235935 531145967 /nfs/dbraw/zinc/14/59/67/531145967.db2.gz JOCIUXFCSIMEHV-UHFFFAOYSA-N 0 1 385.471 0.522 20 0 GCADMN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O ZINC000436776015 531146581 /nfs/dbraw/zinc/14/65/81/531146581.db2.gz YTZVVXRNMBPTTH-NSHDSACASA-N 0 1 392.499 0.538 20 0 GCADMN C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2O)CCS(=O)(=O)C1 ZINC000436950105 531147284 /nfs/dbraw/zinc/14/72/84/531147284.db2.gz NSAIOKZQOCIVEJ-LLVKDONJSA-N 0 1 390.483 0.149 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@H]1O ZINC000435633697 531142182 /nfs/dbraw/zinc/14/21/82/531142182.db2.gz ZLKMCHMKTIELSS-NWDGAFQWSA-N 0 1 376.240 0.993 20 0 GCADMN O=C(NCc1ccc(Br)cc1N1CCOCC1)[C@H]1CNCCO1 ZINC000649378701 531142286 /nfs/dbraw/zinc/14/22/86/531142286.db2.gz YAAXOSXMMOJPHF-OAHLLOKOSA-N 0 1 384.274 0.890 20 0 GCADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(S(N)(=O)=O)nc2)c1 ZINC000677816550 531148404 /nfs/dbraw/zinc/14/84/04/531148404.db2.gz VGYFEBWYDWVZOX-UHFFFAOYSA-N 0 1 385.423 0.481 20 0 GCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N[C@H](CO)CC1CC1 ZINC000677748871 531148560 /nfs/dbraw/zinc/14/85/60/531148560.db2.gz APJBATXXQCYXDQ-LBPRGKRZSA-N 0 1 392.499 0.896 20 0 GCADMN CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000677964387 531149281 /nfs/dbraw/zinc/14/92/81/531149281.db2.gz ZRABUNSBLSUJTN-LBPRGKRZSA-N 0 1 376.504 0.626 20 0 GCADMN CS(=O)(=O)CCCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000677964386 531149377 /nfs/dbraw/zinc/14/93/77/531149377.db2.gz ZRABUNSBLSUJTN-GFCCVEGCSA-N 0 1 376.504 0.626 20 0 GCADMN C[S@](=O)C1(CNc2cc(C3CC3)nc(NCC3([S@](C)=O)CC3)n2)CC1 ZINC000553545002 531153852 /nfs/dbraw/zinc/15/38/52/531153852.db2.gz RRKNVXKBCNXEAH-DQEYMECFSA-N 0 1 382.555 0.844 20 0 GCADMN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)s1 ZINC000553580768 531154116 /nfs/dbraw/zinc/15/41/16/531154116.db2.gz QOOQADAZYKTSJY-NSHDSACASA-N 0 1 383.561 0.458 20 0 GCADMN COCCCn1c(=O)[nH]nc1SCC1(CS(C)(=O)=O)CCOCC1 ZINC000679004408 531154339 /nfs/dbraw/zinc/15/43/39/531154339.db2.gz KCRQFFKFEJJENQ-UHFFFAOYSA-N 0 1 379.504 0.954 20 0 GCADMN CS(=O)(=O)CC[C@@H](N)C(=O)NC[C@H](CO)Cc1c(F)cccc1Cl ZINC000438890094 531156675 /nfs/dbraw/zinc/15/66/75/531156675.db2.gz KCKTWJQLQRHVTA-QMTHXVAHSA-N 0 1 380.869 0.508 20 0 GCADMN CNS(=O)(=O)CCNCc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000438910296 531157139 /nfs/dbraw/zinc/15/71/39/531157139.db2.gz MEYJOAUAXHHTMQ-UHFFFAOYSA-N 0 1 391.921 0.690 20 0 GCADMN CN(CC(=O)Nc1cn(C)cc(Br)c1=O)c1ncnc2[nH]cnc21 ZINC000679766404 531157687 /nfs/dbraw/zinc/15/76/87/531157687.db2.gz XIGLMCRVFCFCAL-UHFFFAOYSA-N 0 1 392.217 0.889 20 0 GCADMN COCCN(CCOC)C1CCN(C(=O)NC[C@@H](C)S(C)(=O)=O)CC1 ZINC000553652624 531154958 /nfs/dbraw/zinc/15/49/58/531154958.db2.gz ZVAQASZFLTXNOJ-CQSZACIVSA-N 0 1 379.523 0.188 20 0 GCADMN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)NCCN1CCCOCC1 ZINC000438681521 531155472 /nfs/dbraw/zinc/15/54/72/531155472.db2.gz PLIXYHCRCXLNFP-UHFFFAOYSA-N 0 1 389.905 0.847 20 0 GCADMN C[C@@H](CN(C)C)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000553886036 531158098 /nfs/dbraw/zinc/15/80/98/531158098.db2.gz IGPGQSXJVSUNNJ-ZDUSSCGKSA-N 0 1 375.516 0.700 20 0 GCADMN CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(NS(=O)(=O)[N-]CC(F)(F)F)CC1 ZINC000439304735 531160406 /nfs/dbraw/zinc/16/04/06/531160406.db2.gz ZZUBQWATLJYEPQ-LLVKDONJSA-N 0 1 388.456 0.692 20 0 GCADMN Cc1ncc(S(=O)(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)n1C ZINC000629288271 531161581 /nfs/dbraw/zinc/16/15/81/531161581.db2.gz OCMBEIFINOARCJ-UHFFFAOYSA-N 0 1 384.483 0.764 20 0 GCADMN CC(C)[C@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CCN1C ZINC000554340841 531162006 /nfs/dbraw/zinc/16/20/06/531162006.db2.gz KMDHUEUSBYURPK-HUUCEWRRSA-N 0 1 375.539 0.239 20 0 GCADMN CCc1cc(=O)n2[nH]c(NS(=O)(=O)c3cncc(Br)c3)nc2n1 ZINC000554726534 531165123 /nfs/dbraw/zinc/16/51/23/531165123.db2.gz CELMQBRDDGHLSX-UHFFFAOYSA-N 0 1 399.230 0.938 20 0 GCADMN C[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)[C@H]1CCC[NH2+]C1 ZINC000440356603 531171470 /nfs/dbraw/zinc/17/14/70/531171470.db2.gz JBDKBAHBJHAYOO-MNOVXSKESA-N 0 1 379.479 0.864 20 0 GCADMN COC(=O)c1ccc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)c(Cl)c1 ZINC000440349906 531170997 /nfs/dbraw/zinc/17/09/97/531170997.db2.gz ALSDXPHVGJCACD-UHFFFAOYSA-N 0 1 389.861 0.179 20 0 GCADMN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000440419283 531173005 /nfs/dbraw/zinc/17/30/05/531173005.db2.gz JCIFHXRIFSJACT-LLVKDONJSA-N 0 1 379.479 0.865 20 0 GCADMN C[C@@H]1OCC[C@]1(C)NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000440507635 531173918 /nfs/dbraw/zinc/17/39/18/531173918.db2.gz SEVPXMZNIYDSNH-BBRMVZONSA-N 0 1 390.527 0.868 20 0 GCADMN O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ncc(C(F)(F)F)[nH]3)cc2[nH]c1=O ZINC000564560731 531175130 /nfs/dbraw/zinc/17/51/30/531175130.db2.gz FYKXCHHCTAGALT-UHFFFAOYSA-N 0 1 375.288 0.759 20 0 GCADMN O=C(NCc1nn[nH]n1)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 ZINC000683179381 531176903 /nfs/dbraw/zinc/17/69/03/531176903.db2.gz GRQUVKVQNIAVNR-LLVKDONJSA-N 0 1 379.218 0.770 20 0 GCADMN CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000440829216 531177185 /nfs/dbraw/zinc/17/71/85/531177185.db2.gz AHJNSROMLFAHLJ-UHFFFAOYSA-N 0 1 391.490 0.961 20 0 GCADMN C[C@H]1NCCN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)[C@H]1C ZINC000440816607 531177458 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CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1C[C@H](C)O ZINC000736411606 598343386 /nfs/dbraw/zinc/34/33/86/598343386.db2.gz QVUWQICAZLOEOZ-GRDNDAEWSA-N 0 1 387.488 0.971 20 0 GCADMN CC[C@@H]1CN(CC(=O)Nc2sccc2-c2nn[nH]n2)CCN1CCOC ZINC000736412116 598345599 /nfs/dbraw/zinc/34/55/99/598345599.db2.gz SUHNTEXWSZJXCE-GFCCVEGCSA-N 0 1 379.490 0.909 20 0 GCADMN O=C(NCCC[NH+]1CCCCC1)C1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000738066516 598349635 /nfs/dbraw/zinc/34/96/35/598349635.db2.gz PCGPPCORIPPLHH-UHFFFAOYSA-N 0 1 399.503 0.865 20 0 GCADMN O=C(NCCC[NH+]1CCCCC1)C1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000738066516 598349638 /nfs/dbraw/zinc/34/96/38/598349638.db2.gz PCGPPCORIPPLHH-UHFFFAOYSA-N 0 1 399.503 0.865 20 0 GCADMN C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736287570 598352537 /nfs/dbraw/zinc/35/25/37/598352537.db2.gz PWRZYLNCYRCAJQ-WMLDXEAASA-N 0 1 389.479 0.843 20 0 GCADMN CCOC[C@@H](O)CN1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736608060 598353458 /nfs/dbraw/zinc/35/34/58/598353458.db2.gz GXYLHAPJJDMPIE-INIZCTEOSA-N 0 1 376.461 0.261 20 0 GCADMN COC(=O)N1CCC[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c(SC)[nH]c2=O)C1 ZINC000736935200 598359525 /nfs/dbraw/zinc/35/95/25/598359525.db2.gz GKUVSNCAZFWNBO-MRVPVSSYSA-N 0 1 393.429 0.650 20 0 GCADMN C[C@H](O)CN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)C[C@@H]1C ZINC000736148048 598363952 /nfs/dbraw/zinc/36/39/52/598363952.db2.gz PABPKOCBKBECKJ-RYUDHWBXSA-N 0 1 393.879 0.846 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736002038 598401192 /nfs/dbraw/zinc/40/11/92/598401192.db2.gz OHLQZIUKQHSEDU-CRAIPNDOSA-N 0 1 398.515 0.588 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1-c1nn[n-]n1 ZINC000737187775 598424768 /nfs/dbraw/zinc/42/47/68/598424768.db2.gz USDZBBKESFVKCO-SNVBAGLBSA-N 0 1 375.458 1.000 20 0 GCADMN CC(C)N1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000735881235 598433734 /nfs/dbraw/zinc/43/37/34/598433734.db2.gz HTOMMPRJIAJHQI-UHFFFAOYSA-N 0 1 381.444 0.801 20 0 GCADMN Nc1c(-c2nn[nH]n2)cnn1-c1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000737776428 598436691 /nfs/dbraw/zinc/43/66/91/598436691.db2.gz MWQULIONLBXZBC-HNNXBMFYSA-N 0 1 393.455 0.945 20 0 GCADMN CN(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1-c1nn[nH]n1 ZINC000736764425 598453488 /nfs/dbraw/zinc/45/34/88/598453488.db2.gz QURRSEIQROVNON-UHFFFAOYSA-N 0 1 387.423 0.384 20 0 GCADMN COc1ccc(-c2n[nH]c(CNC(=O)c3ccc(-c4nn[nH]n4)cn3)n2)cc1 ZINC000737057300 598464673 /nfs/dbraw/zinc/46/46/73/598464673.db2.gz QIHSEESZCRMIQR-UHFFFAOYSA-N 0 1 377.368 0.985 20 0 GCADMN CN(C[C@@H]1CCCOC1)CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736789710 598467168 /nfs/dbraw/zinc/46/71/68/598467168.db2.gz AVZBKFCXNNUEOQ-HNNXBMFYSA-N 0 1 399.455 0.947 20 0 GCADMN CC(C)N1CCN(C(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000735883005 598479424 /nfs/dbraw/zinc/47/94/24/598479424.db2.gz VGYFPPWDMJYKAC-UHFFFAOYSA-N 0 1 399.503 0.966 20 0 GCADMN CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000736565341 598486835 /nfs/dbraw/zinc/48/68/35/598486835.db2.gz JWBMSUSIBHSVKX-AWEZNQCLSA-N 0 1 397.487 0.917 20 0 GCADMN CC[N@H+]1CC[C@@H](CNC(=O)CCc2c(C)nc3c(-c4nnn[n-]4)cnn3c2C)C1 ZINC000736565341 598486837 /nfs/dbraw/zinc/48/68/37/598486837.db2.gz JWBMSUSIBHSVKX-AWEZNQCLSA-N 0 1 397.487 0.917 20 0 GCADMN CC[N@@H+]1CC[C@@H](CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000736565341 598486838 /nfs/dbraw/zinc/48/68/38/598486838.db2.gz JWBMSUSIBHSVKX-AWEZNQCLSA-N 0 1 397.487 0.917 20 0 GCADMN CC[N@H+]1CC[C@@H](CNC(=O)CCc2c(C)nc3c(-c4nn[n-]n4)cnn3c2C)C1 ZINC000736565341 598486839 /nfs/dbraw/zinc/48/68/39/598486839.db2.gz JWBMSUSIBHSVKX-AWEZNQCLSA-N 0 1 397.487 0.917 20 0 GCADMN C[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1)N(C)C1CC1 ZINC000736014347 598502231 /nfs/dbraw/zinc/50/22/31/598502231.db2.gz MCJNIWXRQDQEIO-LBPRGKRZSA-N 0 1 392.485 0.380 20 0 GCADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NC(=O)NCc1ccco1 ZINC000737981243 598503561 /nfs/dbraw/zinc/50/35/61/598503561.db2.gz KILISTSDQZTWCM-UHFFFAOYSA-N 0 1 393.363 0.801 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1-c1nnn[n-]1 ZINC000737187277 598513142 /nfs/dbraw/zinc/51/31/42/598513142.db2.gz PKLGYLSJYPNTFR-SNVBAGLBSA-N 0 1 375.458 0.903 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1-c1nn[n-]n1 ZINC000737187277 598513144 /nfs/dbraw/zinc/51/31/44/598513144.db2.gz PKLGYLSJYPNTFR-SNVBAGLBSA-N 0 1 375.458 0.903 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1-c1nn[n-]n1 ZINC000737187277 598513145 /nfs/dbraw/zinc/51/31/45/598513145.db2.gz PKLGYLSJYPNTFR-SNVBAGLBSA-N 0 1 375.458 0.903 20 0 GCADMN O=C1N=NC(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)N1C[C@H]1CCCO1 ZINC000738328820 598516895 /nfs/dbraw/zinc/51/68/95/598516895.db2.gz JZOUEPWUNAOEAL-GFCCVEGCSA-N 0 1 391.413 0.317 20 0 GCADMN O=C1N=NC(S(=O)(=O)Cc2ccc(-c3nn[nH]n3)cc2)N1C[C@H]1CCCO1 ZINC000738331800 598517228 /nfs/dbraw/zinc/51/72/28/598517228.db2.gz WCZDQSMZWJNVRU-GFCCVEGCSA-N 0 1 391.413 0.317 20 0 GCADMN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Nc1ccc(F)c(F)c1 ZINC000737894528 598519739 /nfs/dbraw/zinc/51/97/39/598519739.db2.gz GFSADHYMWULZKN-SECBINFHSA-N 0 1 389.370 0.611 20 0 GCADMN CN(C)C(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736745887 598568229 /nfs/dbraw/zinc/56/82/29/598568229.db2.gz JQJNCSXNSKHZKC-HOCLYGCPSA-N 0 1 395.471 0.394 20 0 GCADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000736767092 598595089 /nfs/dbraw/zinc/59/50/89/598595089.db2.gz LDWYTNJAANTGGO-OAHLLOKOSA-N 0 1 394.501 0.597 20 0 GCADMN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1c1ccccc1 ZINC000738294269 598596875 /nfs/dbraw/zinc/59/68/75/598596875.db2.gz BFHQYYFCTWZJTR-DOMZBBRYSA-N 0 1 379.428 0.500 20 0 GCADMN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1c1ccccc1 ZINC000738294270 598596998 /nfs/dbraw/zinc/59/69/98/598596998.db2.gz BFHQYYFCTWZJTR-IUODEOHRSA-N 0 1 379.428 0.500 20 0 GCADMN CN1CCN(C[C@@H]2CN(C(=O)CCc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736864550 598612095 /nfs/dbraw/zinc/61/20/95/598612095.db2.gz RVRRAVCDBYYFMD-GOSISDBHSA-N 0 1 399.499 0.274 20 0 GCADMN O[C@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000738388955 598618781 /nfs/dbraw/zinc/61/87/81/598618781.db2.gz USTUYQXFHFHNPU-UBHSHLNASA-N 0 1 387.362 0.994 20 0 GCADMN CN(C)CC(=O)N1CCN(C(=O)CSc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736761358 598664584 /nfs/dbraw/zinc/66/45/84/598664584.db2.gz DRCWGQJMMALHQP-UHFFFAOYSA-N 0 1 389.485 0.191 20 0 GCADMN C[C@H]([NH2+]C(C)(C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1ccccc1 ZINC000736130967 598672847 /nfs/dbraw/zinc/67/28/47/598672847.db2.gz IMZSWUHAIOLHLW-LBPRGKRZSA-N 0 1 398.471 0.805 20 0 GCADMN CN1CCN(CCNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736865178 598680848 /nfs/dbraw/zinc/68/08/48/598680848.db2.gz WMUNQTHYBUDLAF-UHFFFAOYSA-N 0 1 387.488 0.779 20 0 GCADMN CN1CCN(C[C@@H]2CN(C(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)CC1 ZINC000736862583 598716002 /nfs/dbraw/zinc/71/60/02/598716002.db2.gz FDODCYGAIIPAOS-MRXNPFEDSA-N 0 1 386.460 0.347 20 0 GCADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)NC(=O)NCC(F)(F)F ZINC000737982141 598720293 /nfs/dbraw/zinc/72/02/93/598720293.db2.gz OAASXJBBLDEGAU-UHFFFAOYSA-N 0 1 395.301 0.570 20 0 GCADMN O=C1CCCN1C[C@@H](O)CN1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000738304442 598728008 /nfs/dbraw/zinc/72/80/08/598728008.db2.gz YSTMAHSFELANBE-ZDUSSCGKSA-N 0 1 389.435 0.111 20 0 GCADMN COC[C@@H](C)CNC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736967480 598777540 /nfs/dbraw/zinc/77/75/40/598777540.db2.gz BMJNXYXILDQKTE-NSHDSACASA-N 0 1 390.448 0.846 20 0 GCADMN O=C(CN1CCN([C@H]2CCC[C@H]2O)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737874287 598781455 /nfs/dbraw/zinc/78/14/55/598781455.db2.gz VEHCGJVSPDDVMK-DLBZAZTESA-N 0 1 385.472 0.014 20 0 GCADMN O=C(CN1CCN([C@@H]2CCC[C@H]2O)CC1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000737874288 598781569 /nfs/dbraw/zinc/78/15/69/598781569.db2.gz VEHCGJVSPDDVMK-IAGOWNOFSA-N 0 1 385.472 0.014 20 0 GCADMN CC1(CNC(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)COC1 ZINC000736216061 598798264 /nfs/dbraw/zinc/79/82/64/598798264.db2.gz DDOUAPAYQHKXAT-UHFFFAOYSA-N 0 1 388.432 0.600 20 0 GCADMN C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000735562716 598811132 /nfs/dbraw/zinc/81/11/32/598811132.db2.gz QPNBJFJYQBNGHZ-KBRIMQKVSA-N 0 1 385.472 0.725 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000737487040 598813894 /nfs/dbraw/zinc/81/38/94/598813894.db2.gz HJSHFDSPVHJWSX-LLVKDONJSA-N 0 1 385.476 0.915 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N[C@H](C)CC[NH+](C)C ZINC000737487040 598813896 /nfs/dbraw/zinc/81/38/96/598813896.db2.gz HJSHFDSPVHJWSX-LLVKDONJSA-N 0 1 385.476 0.915 20 0 GCADMN Cc1nc([C@@H]2CN([C@@H](C)C(=O)Nc3ccccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000737452732 599292728 /nfs/dbraw/zinc/29/27/28/599292728.db2.gz KBJFYSKOGCULNK-HZMBPMFUSA-N 0 1 383.416 0.694 20 0 GCADMN CCc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736699724 599293291 /nfs/dbraw/zinc/29/32/91/599293291.db2.gz OSQVYFFNKMLSEW-GFCCVEGCSA-N 0 1 390.429 0.309 20 0 GCADMN Cc1nc([C@@H]2CN(S(=O)(=O)c3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000737454072 599294346 /nfs/dbraw/zinc/29/43/46/599294346.db2.gz XBGLXLCJXHEPEB-LBPRGKRZSA-N 0 1 376.402 0.055 20 0 GCADMN Cc1nc([C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3F)CCO2)n[nH]1 ZINC000737453983 599294613 /nfs/dbraw/zinc/29/46/13/599294613.db2.gz UIIXVXOSQWKICR-NSHDSACASA-N 0 1 394.392 0.195 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000737486340 599298688 /nfs/dbraw/zinc/29/86/88/599298688.db2.gz DHFLDMUYVJNLCK-BDJLRTHQSA-N 0 1 397.487 0.867 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000737486340 599298691 /nfs/dbraw/zinc/29/86/91/599298691.db2.gz DHFLDMUYVJNLCK-BDJLRTHQSA-N 0 1 397.487 0.867 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000737486344 599299350 /nfs/dbraw/zinc/29/93/50/599299350.db2.gz DHFLDMUYVJNLCK-BZNIZROVSA-N 0 1 397.487 0.867 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000737486344 599299352 /nfs/dbraw/zinc/29/93/52/599299352.db2.gz DHFLDMUYVJNLCK-BZNIZROVSA-N 0 1 397.487 0.867 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000822224074 599354519 /nfs/dbraw/zinc/35/45/19/599354519.db2.gz VQAZETADXOYGHJ-CYBMUJFWSA-N 0 1 393.517 0.337 20 0 GCADMN CC[C@@H](O)CN1CCN(CC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736381148 599356674 /nfs/dbraw/zinc/35/66/74/599356674.db2.gz IDQNYYRHPDBKGY-CYBMUJFWSA-N 0 1 393.879 0.847 20 0 GCADMN CC[C@@H](O)CN1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)CC1 ZINC000736383459 599357425 /nfs/dbraw/zinc/35/74/25/599357425.db2.gz RUXGHKUARZRLFA-TZMCWYRMSA-N 0 1 391.476 0.792 20 0 GCADMN Cc1nnc(CN2CCN(CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]1 ZINC000737476816 599357444 /nfs/dbraw/zinc/35/74/44/599357444.db2.gz JQYORYHMGIPPHD-UHFFFAOYSA-N 0 1 396.459 0.440 20 0 GCADMN CC[C@H](O)CN1CCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000736381658 599357971 /nfs/dbraw/zinc/35/79/71/599357971.db2.gz JLLKUSMAKAJGAO-IRXDYDNUSA-N 0 1 385.472 0.361 20 0 GCADMN O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823600320 599361518 /nfs/dbraw/zinc/36/15/18/599361518.db2.gz GHAHVWYFHKWTQD-CYBMUJFWSA-N 0 1 377.474 0.758 20 0 GCADMN O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000823600320 599361521 /nfs/dbraw/zinc/36/15/21/599361521.db2.gz GHAHVWYFHKWTQD-CYBMUJFWSA-N 0 1 377.474 0.758 20 0 GCADMN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C(=O)N1c1ccccc1 ZINC000820656879 599453495 /nfs/dbraw/zinc/45/34/95/599453495.db2.gz HZDNJIWSSTYDLY-DVOMOZLQSA-N 0 1 393.455 0.889 20 0 GCADMN COc1ccc(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)cc1-c1nn[nH]n1 ZINC000821805275 599463951 /nfs/dbraw/zinc/46/39/51/599463951.db2.gz SGVXRUTZJPPJBV-NHYWBVRUSA-N 0 1 382.428 0.892 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NC(=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC000820261333 599465117 /nfs/dbraw/zinc/46/51/17/599465117.db2.gz MYQDTOGVZWZKFE-GFCCVEGCSA-N 0 1 376.440 0.441 20 0 GCADMN CC(C)(C)NS(=O)(=O)CCNCc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735622853 599485692 /nfs/dbraw/zinc/48/56/92/599485692.db2.gz HHBDLGSZOMTMEK-UHFFFAOYSA-N 0 1 378.462 0.322 20 0 GCADMN CN1CCN(C)[C@@H](CNC(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(F)F)C1 ZINC000736864141 599502021 /nfs/dbraw/zinc/50/20/21/599502021.db2.gz PTEWZIUWJCRPOO-NSHDSACASA-N 0 1 396.402 0.835 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000738152717 599510444 /nfs/dbraw/zinc/51/04/44/599510444.db2.gz YXUFSNGSAUMEKL-UHFFFAOYSA-N 0 1 399.455 0.376 20 0 GCADMN NS(=O)(=O)c1ccc(NCc2n[nH]c(-c3ccccc3)n2)c(-c2nn[nH]n2)c1 ZINC000822899645 599514768 /nfs/dbraw/zinc/51/47/68/599514768.db2.gz NFJPYGQWSXZXPC-UHFFFAOYSA-N 0 1 397.424 0.911 20 0 GCADMN NS(=O)(=O)c1ccc(NCc2nc(-c3ccccc3)n[nH]2)c(-c2nn[nH]n2)c1 ZINC000822899645 599514769 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388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3C[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000822423727 599646810 /nfs/dbraw/zinc/64/68/10/599646810.db2.gz NPAPYZAUPZGWLJ-OLZOCXBDSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3C[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000822423727 599646811 /nfs/dbraw/zinc/64/68/11/599646811.db2.gz NPAPYZAUPZGWLJ-OLZOCXBDSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nnc(SCC(=O)N2CCN(c3ccccc3-c3nn[nH]n3)CC2)[nH]1 ZINC000822418985 599699312 /nfs/dbraw/zinc/69/93/12/599699312.db2.gz LANKGJYPIPLMHB-UHFFFAOYSA-N 0 1 385.457 0.734 20 0 GCADMN COc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1 ZINC000738004749 599702839 /nfs/dbraw/zinc/70/28/39/599702839.db2.gz UNYULHUOPGJEOS-SJORKVTESA-N 0 1 390.436 0.993 20 0 GCADMN Nc1c(C(=O)C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000739201346 599713195 /nfs/dbraw/zinc/71/31/95/599713195.db2.gz RFOXAGPLIGBRND-WCQGTBRESA-N 0 1 376.413 0.766 20 0 GCADMN Cc1oc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1C(=O)[O-] ZINC000738965444 599721858 /nfs/dbraw/zinc/72/18/58/599721858.db2.gz FUJILRDUBXNBCE-CYBMUJFWSA-N 0 1 399.469 0.379 20 0 GCADMN COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000737655061 599786640 /nfs/dbraw/zinc/78/66/40/599786640.db2.gz ZKZNJPINIQOVTL-KGLIPLIRSA-N 0 1 398.437 0.313 20 0 GCADMN COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000737655061 599786643 /nfs/dbraw/zinc/78/66/43/599786643.db2.gz ZKZNJPINIQOVTL-KGLIPLIRSA-N 0 1 398.437 0.313 20 0 GCADMN COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000737655060 599786725 /nfs/dbraw/zinc/78/67/25/599786725.db2.gz ZKZNJPINIQOVTL-KBPBESRZSA-N 0 1 398.437 0.313 20 0 GCADMN COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000737655060 599786727 /nfs/dbraw/zinc/78/67/27/599786727.db2.gz ZKZNJPINIQOVTL-KBPBESRZSA-N 0 1 398.437 0.313 20 0 GCADMN COc1cc[nH+]c(N2CCN([C@@H](C)C(=O)N3CCC(C(=O)[O-])CC3)CC2)c1 ZINC000738126774 599794337 /nfs/dbraw/zinc/79/43/37/599794337.db2.gz KNSFKHSXFRCJMD-AWEZNQCLSA-N 0 1 376.457 0.924 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000739153485 599813337 /nfs/dbraw/zinc/81/33/37/599813337.db2.gz NIEXLJOIVIPDAD-JTQLQIEISA-N 0 1 375.472 0.312 20 0 GCADMN CC(C)[C@@H](NC(=O)[O-])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000736371317 599816092 /nfs/dbraw/zinc/81/60/92/599816092.db2.gz TYDOMRSCGPHTDJ-MRXNPFEDSA-N 0 1 376.457 0.983 20 0 GCADMN O=C([O-])CCNC(=O)c1ccc(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000739741984 599816332 /nfs/dbraw/zinc/81/63/32/599816332.db2.gz QFHFZKMZLIMFCP-CVEARBPZSA-N 0 1 390.440 0.876 20 0 GCADMN CCOC(=O)C1=C(C[NH2+][C@H](C(=O)[O-])c2ccc(OC)cc2)NC(=O)N[C@H]1C ZINC000737135882 599861114 /nfs/dbraw/zinc/86/11/14/599861114.db2.gz YUVJUZVSADHKKA-BONVTDFDSA-N 0 1 377.397 0.929 20 0 GCADMN CCOC(=O)C1=C(C[NH2+][C@H](C(=O)[O-])c2ccc(OC)cc2)NC(=O)N[C@@H]1C ZINC000737135880 599861136 /nfs/dbraw/zinc/86/11/36/599861136.db2.gz YUVJUZVSADHKKA-BMIGLBTASA-N 0 1 377.397 0.929 20 0 GCADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738473539 599882900 /nfs/dbraw/zinc/88/29/00/599882900.db2.gz SMOUGEMPJVKOSU-CQSZACIVSA-N 0 1 375.425 0.997 20 0 GCADMN Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000738346076 599939631 /nfs/dbraw/zinc/93/96/31/599939631.db2.gz VKJLOKGFAYHFLM-HNNXBMFYSA-N 0 1 395.481 0.796 20 0 GCADMN Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000738346076 599939632 /nfs/dbraw/zinc/93/96/32/599939632.db2.gz VKJLOKGFAYHFLM-HNNXBMFYSA-N 0 1 395.481 0.796 20 0 GCADMN CN(C)c1cc2c(nn1)CC[N@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])C2 ZINC000737375169 599955716 /nfs/dbraw/zinc/95/57/16/599955716.db2.gz XRQRPWOFVDISLW-SXGWCWSVSA-N 0 1 377.470 0.792 20 0 GCADMN CN(C)c1cc2c(nn1)CC[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])C2 ZINC000737375169 599955718 /nfs/dbraw/zinc/95/57/18/599955718.db2.gz XRQRPWOFVDISLW-SXGWCWSVSA-N 0 1 377.470 0.792 20 0 GCADMN C[N@H+](CC(=O)N1CCC(C(=O)[O-])CC1)C1CCN(CCn2cccn2)CC1 ZINC000737385499 599962385 /nfs/dbraw/zinc/96/23/85/599962385.db2.gz RUSDKWXDTAFVHZ-UHFFFAOYSA-N 0 1 377.489 0.603 20 0 GCADMN C[N@@H+](CC(=O)N1CCC(C(=O)[O-])CC1)C1CCN(CCn2cccn2)CC1 ZINC000737385499 599962386 /nfs/dbraw/zinc/96/23/86/599962386.db2.gz RUSDKWXDTAFVHZ-UHFFFAOYSA-N 0 1 377.489 0.603 20 0 GCADMN CC[C@H]1C[N@@H+](CCn2cccn2)CCN1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000736943407 599968664 /nfs/dbraw/zinc/96/86/64/599968664.db2.gz MXMRJADOZYSJLA-KRWDZBQOSA-N 0 1 377.489 0.603 20 0 GCADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000736811011 599969655 /nfs/dbraw/zinc/96/96/55/599969655.db2.gz QBAXZEUNISHIMK-NUJGCVRESA-N 0 1 396.532 0.035 20 0 GCADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[N@@H+](C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000736811011 599969656 /nfs/dbraw/zinc/96/96/56/599969656.db2.gz QBAXZEUNISHIMK-NUJGCVRESA-N 0 1 396.532 0.035 20 0 GCADMN C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736807208 599969674 /nfs/dbraw/zinc/96/96/74/599969674.db2.gz FQWHFLGPVFKNDD-KBPBESRZSA-N 0 1 396.513 0.722 20 0 GCADMN C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000736807208 599969675 /nfs/dbraw/zinc/96/96/75/599969675.db2.gz FQWHFLGPVFKNDD-KBPBESRZSA-N 0 1 396.513 0.722 20 0 GCADMN C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736810093 599970114 /nfs/dbraw/zinc/97/01/14/599970114.db2.gz NPGLHQLVEWQUFN-CVEARBPZSA-N 0 1 390.484 0.660 20 0 GCADMN C[C@@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000736810093 599970116 /nfs/dbraw/zinc/97/01/16/599970116.db2.gz NPGLHQLVEWQUFN-CVEARBPZSA-N 0 1 390.484 0.660 20 0 GCADMN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)N1CC[N@H+](C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000736811009 599970163 /nfs/dbraw/zinc/97/01/63/599970163.db2.gz 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/nfs/dbraw/zinc/21/90/81/607219081.db2.gz ZIOLTMXHKFJGCC-UHFFFAOYSA-N 0 1 390.411 0.355 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000823127035 607219093 /nfs/dbraw/zinc/21/90/93/607219093.db2.gz RAXASGBNDCOBMM-LLVKDONJSA-N 0 1 387.835 0.897 20 0 GCADMN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821206858 607220311 /nfs/dbraw/zinc/22/03/11/607220311.db2.gz GLKILEUSYDLEBH-UHFFFAOYSA-N 0 1 396.459 0.618 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000823136232 607220619 /nfs/dbraw/zinc/22/06/19/607220619.db2.gz PORAVFBJBZSONC-UHFFFAOYSA-N 0 1 384.791 0.995 20 0 GCADMN CC[C@H]1Oc2cc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccc2NC1=O ZINC000821000589 607220854 /nfs/dbraw/zinc/22/08/54/607220854.db2.gz GYRAWQMFTGUYGQ-BXKDBHETSA-N 0 1 397.399 0.445 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820758925 607221529 /nfs/dbraw/zinc/22/15/29/607221529.db2.gz FYUDPWAPWRWJBU-UKRRQHHQSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820758925 607221530 /nfs/dbraw/zinc/22/15/30/607221530.db2.gz FYUDPWAPWRWJBU-UKRRQHHQSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820758925 607221531 /nfs/dbraw/zinc/22/15/31/607221531.db2.gz FYUDPWAPWRWJBU-UKRRQHHQSA-N 0 1 381.444 0.485 20 0 GCADMN COc1cc(CC2CN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)cc(OC)c1 ZINC000821712717 607221566 /nfs/dbraw/zinc/22/15/66/607221566.db2.gz LOQRFMJGFLLYFL-UHFFFAOYSA-N 0 1 384.400 0.177 20 0 GCADMN C[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655775 607221621 /nfs/dbraw/zinc/22/16/21/607221621.db2.gz CEAUIQBTBONEIP-DZGCQCFKSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655775 607221622 /nfs/dbraw/zinc/22/16/22/607221622.db2.gz CEAUIQBTBONEIP-DZGCQCFKSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@H]1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655775 607221623 /nfs/dbraw/zinc/22/16/23/607221623.db2.gz CEAUIQBTBONEIP-DZGCQCFKSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1noc(Cc2ccccc2)n1 ZINC000820335139 607221852 /nfs/dbraw/zinc/22/18/52/607221852.db2.gz UEBXGTKRNIBSRZ-SNVBAGLBSA-N 0 1 380.372 0.309 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000823122682 607222028 /nfs/dbraw/zinc/22/20/28/607222028.db2.gz GETIJZPANJAFHM-HNNXBMFYSA-N 0 1 382.428 0.709 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000823127210 607222046 /nfs/dbraw/zinc/22/20/46/607222046.db2.gz WQLSVKMXVCKMTN-UHFFFAOYSA-N 0 1 375.343 0.085 20 0 GCADMN CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821043873 607222957 /nfs/dbraw/zinc/22/29/57/607222957.db2.gz UTTJVVRUYIMKHI-LLVKDONJSA-N 0 1 393.452 0.658 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC000823135969 607223602 /nfs/dbraw/zinc/22/36/02/607223602.db2.gz DCBGOMJGERMYID-UHFFFAOYSA-N 0 1 395.358 0.446 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000823136198 607225141 /nfs/dbraw/zinc/22/51/41/607225141.db2.gz OEEJPFSRNNZTJU-UHFFFAOYSA-N 0 1 397.443 0.962 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc2nc(N3CCOCC3)oc2c1 ZINC000823136089 607229158 /nfs/dbraw/zinc/22/91/58/607229158.db2.gz JMXDLFYYQRISJI-UHFFFAOYSA-N 0 1 396.371 0.075 20 0 GCADMN Cc1ncc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(N)n1 ZINC000822467002 607232093 /nfs/dbraw/zinc/23/20/93/607232093.db2.gz GNPSSEZLZCBNEU-UHFFFAOYSA-N 0 1 393.455 0.895 20 0 GCADMN Cn1cnc(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)c1 ZINC000822699092 607233007 /nfs/dbraw/zinc/23/30/07/607233007.db2.gz NZFWHYUVOFXXIB-UHFFFAOYSA-N 0 1 395.383 0.811 20 0 GCADMN O=C(c1ccnnc1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000823498266 607233131 /nfs/dbraw/zinc/23/31/31/607233131.db2.gz JENIKRSNPQDMPL-UHFFFAOYSA-N 0 1 393.367 0.867 20 0 GCADMN C[C@H](O)C[C@H]1CCCN1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824698801 607784522 /nfs/dbraw/zinc/78/45/22/607784522.db2.gz OJQDEXFCSRWPKJ-XJKSGUPXSA-N 0 1 399.455 0.824 20 0 GCADMN C[C@H](O)C[C@@H]1CCCN1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824698798 607784703 /nfs/dbraw/zinc/78/47/03/607784703.db2.gz OJQDEXFCSRWPKJ-BBRMVZONSA-N 0 1 399.455 0.824 20 0 GCADMN C[C@@H](CN1CCCC1=O)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824414221 607815209 /nfs/dbraw/zinc/81/52/09/607815209.db2.gz XPCONJPIZLVAGO-LBPRGKRZSA-N 0 1 378.458 0.241 20 0 GCADMN O=C(CCNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)N1CCCCC1 ZINC000826407321 607815712 /nfs/dbraw/zinc/81/57/12/607815712.db2.gz JDVGCKPXKCGJEA-UHFFFAOYSA-N 0 1 392.485 0.633 20 0 GCADMN C[C@@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825000465 607815845 /nfs/dbraw/zinc/81/58/45/607815845.db2.gz QVGIFKBYHASRQY-UKRRQHHQSA-N 0 1 376.486 0.809 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000826390317 607838565 /nfs/dbraw/zinc/83/85/65/607838565.db2.gz WRXZBMGPVNNHKD-HNNXBMFYSA-N 0 1 393.455 0.728 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000826390317 607838566 /nfs/dbraw/zinc/83/85/66/607838566.db2.gz WRXZBMGPVNNHKD-HNNXBMFYSA-N 0 1 393.455 0.728 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000826390317 607838567 /nfs/dbraw/zinc/83/85/67/607838567.db2.gz WRXZBMGPVNNHKD-HNNXBMFYSA-N 0 1 393.455 0.728 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000826390317 607838568 /nfs/dbraw/zinc/83/85/68/607838568.db2.gz WRXZBMGPVNNHKD-HNNXBMFYSA-N 0 1 393.455 0.728 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CS[C@@H]3CCO[C@H]3C)CC2)o1 ZINC000826322832 607845782 /nfs/dbraw/zinc/84/57/82/607845782.db2.gz DDERPSQLDYKKAU-CMPLNLGQSA-N 0 1 393.473 0.722 20 0 GCADMN CO[C@@H]1CC[C@@H]2OCCN(C[C@H](O)COc3ccc(-c4nn[nH]n4)cc3)[C@H]2C1 ZINC000826146562 607858945 /nfs/dbraw/zinc/85/89/45/607858945.db2.gz XRTONFMFFBYLFA-RANZSIQMSA-N 0 1 389.456 0.875 20 0 GCADMN C[C@](O)(CC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)C1CC1 ZINC000824671459 607881707 /nfs/dbraw/zinc/88/17/07/607881707.db2.gz ZHOWJXFGGRCKHI-SFHVURJKSA-N 0 1 387.444 0.932 20 0 GCADMN O=S(=O)(NC[C@@H](CO)Cc1ccco1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826489477 607906561 /nfs/dbraw/zinc/90/65/61/607906561.db2.gz QNRYOEWSADOCQT-VIFPVBQESA-N 0 1 399.379 0.867 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000826424902 607917909 /nfs/dbraw/zinc/91/79/09/607917909.db2.gz HWBZKHMGWZSZNA-LBPRGKRZSA-N 0 1 378.400 0.499 20 0 GCADMN CNS(=O)(=O)C1CCN(Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000826083362 607923001 /nfs/dbraw/zinc/92/30/01/607923001.db2.gz JSJAGUWOWXJSKO-UHFFFAOYSA-N 0 1 394.457 0.167 20 0 GCADMN CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826227851 608000932 /nfs/dbraw/zinc/00/09/32/608000932.db2.gz YPIVWWJIDKUGGM-WKEGUHRASA-N 0 1 379.414 0.536 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(=O)OC)s2)c1-c1nnn[n-]1 ZINC000826083403 608019128 /nfs/dbraw/zinc/01/91/28/608019128.db2.gz KSZPWECPXQJOEV-UHFFFAOYSA-N 0 1 390.429 0.842 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(=O)OC)s2)c1-c1nn[n-]n1 ZINC000826083403 608019129 /nfs/dbraw/zinc/01/91/29/608019129.db2.gz KSZPWECPXQJOEV-UHFFFAOYSA-N 0 1 390.429 0.842 20 0 GCADMN CCC(=O)N1CCCC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825034545 608019252 /nfs/dbraw/zinc/01/92/52/608019252.db2.gz LDNKGNNBNSUJCX-LBPRGKRZSA-N 0 1 389.464 0.471 20 0 GCADMN CCC(=O)N1CCCC[C@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825034545 608019253 /nfs/dbraw/zinc/01/92/53/608019253.db2.gz LDNKGNNBNSUJCX-LBPRGKRZSA-N 0 1 389.464 0.471 20 0 GCADMN CCNc1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)s1 ZINC000825485718 608019423 /nfs/dbraw/zinc/01/94/23/608019423.db2.gz ISMUVVUTYNEGJV-UHFFFAOYSA-N 0 1 376.450 0.882 20 0 GCADMN CCNc1ncc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)s1 ZINC000825485718 608019424 /nfs/dbraw/zinc/01/94/24/608019424.db2.gz ISMUVVUTYNEGJV-UHFFFAOYSA-N 0 1 376.450 0.882 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](NC(=O)OC)C(C)C)c1-c1nnn[n-]1 ZINC000826073289 608019483 /nfs/dbraw/zinc/01/94/83/608019483.db2.gz MYWPHIZAIFJJKG-LLVKDONJSA-N 0 1 379.425 0.061 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](NC(=O)OC)C(C)C)c1-c1nn[n-]n1 ZINC000826073289 608019484 /nfs/dbraw/zinc/01/94/84/608019484.db2.gz MYWPHIZAIFJJKG-LLVKDONJSA-N 0 1 379.425 0.061 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN2CCc3ccccc32)c1-c1nnn[n-]1 ZINC000826077461 608019552 /nfs/dbraw/zinc/01/95/52/608019552.db2.gz IVFVYYSLPCYDQC-UHFFFAOYSA-N 0 1 381.444 0.743 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CN2CCc3ccccc32)c1-c1nn[n-]n1 ZINC000826077461 608019553 /nfs/dbraw/zinc/01/95/53/608019553.db2.gz IVFVYYSLPCYDQC-UHFFFAOYSA-N 0 1 381.444 0.743 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1-c1nnn[n-]1 ZINC000826077135 608020359 /nfs/dbraw/zinc/02/03/59/608020359.db2.gz BBFGQMWEDKCWMC-ZDUSSCGKSA-N 0 1 396.411 0.462 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1-c1nn[n-]n1 ZINC000826077135 608020360 /nfs/dbraw/zinc/02/03/60/608020360.db2.gz BBFGQMWEDKCWMC-ZDUSSCGKSA-N 0 1 396.411 0.462 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC[C@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826073543 608020365 /nfs/dbraw/zinc/02/03/65/608020365.db2.gz WNICHNQYABTKMI-WDEREUQCSA-N 0 1 378.437 0.264 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC[C@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826073543 608020366 /nfs/dbraw/zinc/02/03/66/608020366.db2.gz WNICHNQYABTKMI-WDEREUQCSA-N 0 1 378.437 0.264 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2nc(C)sc2C)c1-c1nnn[n-]1 ZINC000826077712 608020602 /nfs/dbraw/zinc/02/06/02/608020602.db2.gz RHYVOSHQJBGICS-UHFFFAOYSA-N 0 1 375.462 0.996 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2nc(C)sc2C)c1-c1nn[n-]n1 ZINC000826077712 608020603 /nfs/dbraw/zinc/02/06/03/608020603.db2.gz RHYVOSHQJBGICS-UHFFFAOYSA-N 0 1 375.462 0.996 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1-c1nnn[n-]1 ZINC000826077649 608021216 /nfs/dbraw/zinc/02/12/16/608021216.db2.gz PHILJNDVMGLOTL-NSHDSACASA-N 0 1 389.464 0.185 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c1-c1nn[n-]n1 ZINC000826077649 608021217 /nfs/dbraw/zinc/02/12/17/608021217.db2.gz PHILJNDVMGLOTL-NSHDSACASA-N 0 1 389.464 0.185 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)CC2CCCC2)c1-c1nnn[n-]1 ZINC000826077389 608021267 /nfs/dbraw/zinc/02/12/67/608021267.db2.gz GTBAUJGMFWLNAO-UHFFFAOYSA-N 0 1 389.464 0.377 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)CC2CCCC2)c1-c1nn[n-]n1 ZINC000826077389 608021268 /nfs/dbraw/zinc/02/12/68/608021268.db2.gz GTBAUJGMFWLNAO-UHFFFAOYSA-N 0 1 389.464 0.377 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3ccnc3)nc2)c1-c1nn[n-]n1 ZINC000826083596 608021487 /nfs/dbraw/zinc/02/14/87/608021487.db2.gz OCNLLDMELWMPMX-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1-c1nnn[n-]1 ZINC000826073191 608021798 /nfs/dbraw/zinc/02/17/98/608021798.db2.gz IXGDWLIFZYTYRW-VIFPVBQESA-N 0 1 377.453 0.231 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)c1-c1nn[n-]n1 ZINC000826073191 608021799 /nfs/dbraw/zinc/02/17/99/608021799.db2.gz IXGDWLIFZYTYRW-VIFPVBQESA-N 0 1 377.453 0.231 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccsc2)c1-c1nnn[n-]1 ZINC000826077877 608022237 /nfs/dbraw/zinc/02/22/37/608022237.db2.gz YHWACYRIQNZUGF-UHFFFAOYSA-N 0 1 389.445 0.172 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccsc2)c1-c1nn[n-]n1 ZINC000826077877 608022238 /nfs/dbraw/zinc/02/22/38/608022238.db2.gz YHWACYRIQNZUGF-UHFFFAOYSA-N 0 1 389.445 0.172 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](NC(=O)OC)C(C)C)c1-c1nnn[n-]1 ZINC000826073290 608022579 /nfs/dbraw/zinc/02/25/79/608022579.db2.gz MYWPHIZAIFJJKG-NSHDSACASA-N 0 1 379.425 0.061 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](NC(=O)OC)C(C)C)c1-c1nn[n-]n1 ZINC000826073290 608022580 /nfs/dbraw/zinc/02/25/80/608022580.db2.gz MYWPHIZAIFJJKG-NSHDSACASA-N 0 1 379.425 0.061 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cccn3)n2)c1-c1nnn[n-]1 ZINC000826083025 608023045 /nfs/dbraw/zinc/02/30/45/608023045.db2.gz FQSLWEVKYNEKMP-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3cccn3)n2)c1-c1nn[n-]n1 ZINC000826083025 608023046 /nfs/dbraw/zinc/02/30/46/608023046.db2.gz FQSLWEVKYNEKMP-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3cccnc3)c2)c1-c1nnn[n-]1 ZINC000826084303 608023072 /nfs/dbraw/zinc/02/30/72/608023072.db2.gz YKLHTGTWPKOBKD-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn(-c3cccnc3)c2)c1-c1nn[n-]n1 ZINC000826084303 608023073 /nfs/dbraw/zinc/02/30/73/608023073.db2.gz YKLHTGTWPKOBKD-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c3c(nn2C)CCCC3)c1-c1nnn[n-]1 ZINC000826077726 608023129 /nfs/dbraw/zinc/02/31/29/608023129.db2.gz RZOBSSCNPOQBNG-UHFFFAOYSA-N 0 1 384.448 0.606 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2c3c(nn2C)CCCC3)c1-c1nn[n-]n1 ZINC000826077726 608023130 /nfs/dbraw/zinc/02/31/30/608023130.db2.gz RZOBSSCNPOQBNG-UHFFFAOYSA-N 0 1 384.448 0.606 20 0 GCADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826432946 608075168 /nfs/dbraw/zinc/07/51/68/608075168.db2.gz QCSLOZRHRVQHLB-PBHICJAKSA-N 0 1 381.440 0.808 20 0 GCADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431710 608076878 /nfs/dbraw/zinc/07/68/78/608076878.db2.gz IOPWFWFPZGTVDM-SJORKVTESA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431710 608076879 /nfs/dbraw/zinc/07/68/79/608076879.db2.gz IOPWFWFPZGTVDM-SJORKVTESA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431710 608076880 /nfs/dbraw/zinc/07/68/80/608076880.db2.gz IOPWFWFPZGTVDM-SJORKVTESA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431710 608076881 /nfs/dbraw/zinc/07/68/81/608076881.db2.gz IOPWFWFPZGTVDM-SJORKVTESA-N 0 1 393.451 0.875 20 0 GCADMN C[C@@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H]1[NH+](C)C ZINC000824984165 608086751 /nfs/dbraw/zinc/08/67/51/608086751.db2.gz HEFPVRUQNMNZGI-CJNGLKHVSA-N 0 1 395.471 0.873 20 0 GCADMN C[C@@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H]1[NH+](C)C ZINC000824984165 608086752 /nfs/dbraw/zinc/08/67/52/608086752.db2.gz HEFPVRUQNMNZGI-CJNGLKHVSA-N 0 1 395.471 0.873 20 0 GCADMN COc1cccc(-c2cc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)n(C)n2)c1 ZINC000826213556 608102107 /nfs/dbraw/zinc/10/21/07/608102107.db2.gz BHQSRZHDMSJQEY-UHFFFAOYSA-N 0 1 380.372 0.506 20 0 GCADMN CN(CC(=O)N1CCN(c2ncccc2-c2nn[nH]n2)CC1)[C@@H]1CCSC1 ZINC000825892143 608109205 /nfs/dbraw/zinc/10/92/05/608109205.db2.gz GYPXGMATFSVRHB-CYBMUJFWSA-N 0 1 388.501 0.348 20 0 GCADMN C[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000824756879 608185530 /nfs/dbraw/zinc/18/55/30/608185530.db2.gz RIOAIUGLMPGGEY-MRVPVSSYSA-N 0 1 376.402 0.475 20 0 GCADMN CC(C)(C)[C@@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000824071198 608192770 /nfs/dbraw/zinc/19/27/70/608192770.db2.gz GSOFDLVCCAXDHK-LBPRGKRZSA-N 0 1 375.433 0.788 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCCC[C@H]2CC(N)=O)cc1-c1nn[nH]n1 ZINC000826229493 608204795 /nfs/dbraw/zinc/20/47/95/608204795.db2.gz GRBDZYGGECGXSB-QMMMGPOBSA-N 0 1 377.430 0.559 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC000826229636 608205850 /nfs/dbraw/zinc/20/58/50/608205850.db2.gz LHPVBMGRLCBIDQ-WDEREUQCSA-N 0 1 395.514 0.807 20 0 GCADMN CCNS(=O)(=O)[C@@H]1CCN(CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825476826 608211824 /nfs/dbraw/zinc/21/18/24/608211824.db2.gz XSNMDGWRKIFMAS-OAHLLOKOSA-N 0 1 380.474 0.649 20 0 GCADMN CCNS(=O)(=O)[C@@H]1CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825476673 608212130 /nfs/dbraw/zinc/21/21/30/608212130.db2.gz RNYDCLXFGGSFNT-CQSZACIVSA-N 0 1 393.473 0.209 20 0 GCADMN CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000825870667 608212564 /nfs/dbraw/zinc/21/25/64/608212564.db2.gz XMQMBKAJWDVWFL-UHFFFAOYSA-N 0 1 383.460 0.938 20 0 GCADMN O=C(CCCCO)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826406439 608214112 /nfs/dbraw/zinc/21/41/12/608214112.db2.gz XIFOSKHNHQFPFK-UHFFFAOYSA-N 0 1 387.400 0.926 20 0 GCADMN O=C(c1sccc1-c1nn[nH]n1)N1CCC(O)(CN2CCOCC2)CC1 ZINC000826475517 608214246 /nfs/dbraw/zinc/21/42/46/608214246.db2.gz ILHBNPZRBIJFMX-UHFFFAOYSA-N 0 1 378.458 0.228 20 0 GCADMN O=C(C1CC(=O)C1)N1CCN(c2oc(-c3ccco3)nc2-c2nn[nH]n2)CC1 ZINC000826477936 608218322 /nfs/dbraw/zinc/21/83/22/608218322.db2.gz PVKKMHUWTGATPC-UHFFFAOYSA-N 0 1 383.368 0.742 20 0 GCADMN NC(=O)[C@@H](OC(=O)c1ccc2c(C=O)[nH]nc2c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826389132 608253871 /nfs/dbraw/zinc/25/38/71/608253871.db2.gz QRAUVOKWOAOABP-HNNXBMFYSA-N 0 1 391.347 0.939 20 0 GCADMN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000826060277 608254157 /nfs/dbraw/zinc/25/41/57/608254157.db2.gz JRXQSCNAHNCMAZ-GMSGAONNSA-N 0 1 377.430 0.334 20 0 GCADMN C[C@H]1CN(C2CC2)C[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824975936 608339377 /nfs/dbraw/zinc/33/93/77/608339377.db2.gz LMJRDVOKHCSKOY-BONVTDFDSA-N 0 1 380.449 0.908 20 0 GCADMN CC[NH+](CC)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825412317 608353347 /nfs/dbraw/zinc/35/33/47/608353347.db2.gz OEMAKAXCKXQNNJ-UHFFFAOYSA-N 0 1 377.453 0.215 20 0 GCADMN CC[NH+](CC)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825412317 608353349 /nfs/dbraw/zinc/35/33/49/608353349.db2.gz OEMAKAXCKXQNNJ-UHFFFAOYSA-N 0 1 377.453 0.215 20 0 GCADMN CCC[N@H+](CC)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825307512 608354499 /nfs/dbraw/zinc/35/44/99/608354499.db2.gz CFMNLBNKQOXLLP-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825307512 608354501 /nfs/dbraw/zinc/35/45/01/608354501.db2.gz CFMNLBNKQOXLLP-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN CCC[N@H+](CC)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825307512 608354502 /nfs/dbraw/zinc/35/45/02/608354502.db2.gz CFMNLBNKQOXLLP-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825307512 608354504 /nfs/dbraw/zinc/35/45/04/608354504.db2.gz CFMNLBNKQOXLLP-UHFFFAOYSA-N 0 1 391.480 0.605 20 0 GCADMN C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824947545 608354836 /nfs/dbraw/zinc/35/48/36/608354836.db2.gz OMKFLLYGROGILZ-NSHDSACASA-N 0 1 389.464 0.357 20 0 GCADMN C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824947545 608354838 /nfs/dbraw/zinc/35/48/38/608354838.db2.gz OMKFLLYGROGILZ-NSHDSACASA-N 0 1 389.464 0.357 20 0 GCADMN CC[N@H+]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000825444413 608356783 /nfs/dbraw/zinc/35/67/83/608356783.db2.gz MTLVJNBKWGXWOT-JQWIXIFHSA-N 0 1 389.464 0.213 20 0 GCADMN CC[N@@H+]1C[C@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)[C@@H](C)C1 ZINC000825444413 608356785 /nfs/dbraw/zinc/35/67/85/608356785.db2.gz MTLVJNBKWGXWOT-JQWIXIFHSA-N 0 1 389.464 0.213 20 0 GCADMN Cc1nnc2c(N3CCN(c4oc(C5CC5)nc4-c4nn[nH]n4)CC3)nccn12 ZINC000826337339 608365733 /nfs/dbraw/zinc/36/57/33/608365733.db2.gz LDKDNGOOIDOXAO-UHFFFAOYSA-N 0 1 393.415 0.805 20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1CN1CC[C@@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000826169298 608372190 /nfs/dbraw/zinc/37/21/90/608372190.db2.gz NQZHBDLUDGJIPV-SFHVURJKSA-N 0 1 385.428 0.780 20 0 GCADMN COCC[N@@H+](C)CCCC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000826158028 608383958 /nfs/dbraw/zinc/38/39/58/608383958.db2.gz XHVVDFVAUZZWAI-UHFFFAOYSA-N 0 1 391.480 0.055 20 0 GCADMN COCC[N@H+](C)CCCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000826158028 608383960 /nfs/dbraw/zinc/38/39/60/608383960.db2.gz XHVVDFVAUZZWAI-UHFFFAOYSA-N 0 1 391.480 0.055 20 0 GCADMN COCC[N@@H+](C)CCCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000826158028 608383962 /nfs/dbraw/zinc/38/39/62/608383962.db2.gz XHVVDFVAUZZWAI-UHFFFAOYSA-N 0 1 391.480 0.055 20 0 GCADMN CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000825411720 608398145 /nfs/dbraw/zinc/39/81/45/608398145.db2.gz DOYDGOVQAOJOIV-UHFFFAOYSA-N 0 1 387.492 0.721 20 0 GCADMN CC[NH+](CC)CCCNC(=O)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000825411720 608398146 /nfs/dbraw/zinc/39/81/46/608398146.db2.gz DOYDGOVQAOJOIV-UHFFFAOYSA-N 0 1 387.492 0.721 20 0 GCADMN O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826436922 608398644 /nfs/dbraw/zinc/39/86/44/608398644.db2.gz OVULSRHEIHJPRC-UHFFFAOYSA-N 0 1 385.476 0.475 20 0 GCADMN O=C(NCCC[NH+]1CCCC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826436922 608398646 /nfs/dbraw/zinc/39/86/46/608398646.db2.gz OVULSRHEIHJPRC-UHFFFAOYSA-N 0 1 385.476 0.475 20 0 GCADMN CN1CCN(C)[C@H](CNC(=O)N2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826038913 608408807 /nfs/dbraw/zinc/40/88/07/608408807.db2.gz ZYXOTCCGKGMAAU-GOSISDBHSA-N 0 1 396.499 0.911 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C[C@@H]1N(C)C ZINC000826227949 608443369 /nfs/dbraw/zinc/44/33/69/608443369.db2.gz ZWPPWDCHLAPZJP-RYUDHWBXSA-N 0 1 386.478 0.672 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[nH]n2)C[C@H]1N(C)C ZINC000826227947 608443696 /nfs/dbraw/zinc/44/36/96/608443696.db2.gz ZWPPWDCHLAPZJP-NEPJUHHUSA-N 0 1 386.478 0.672 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C[C@@H]1N(C)C ZINC000826227654 608443842 /nfs/dbraw/zinc/44/38/42/608443842.db2.gz VFCDVFOCFZGHKO-QWHCGFSZSA-N 0 1 386.478 0.672 20 0 GCADMN C[C@H](N[C@@H](C)c1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000824532935 608460479 /nfs/dbraw/zinc/46/04/79/608460479.db2.gz YLYLDSJOYPDRSP-MJVIPROJSA-N 0 1 378.458 0.209 20 0 GCADMN C[C@@H](NCC(=O)NCC(C)(C)N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824563718 608462020 /nfs/dbraw/zinc/46/20/20/608462020.db2.gz PQJRTSGOUAXLSU-CQSZACIVSA-N 0 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CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1nc(C)cc(-c2nnn[n-]2)n1 ZINC001571265268 945503814 /nfs/dbraw/zinc/50/38/14/945503814.db2.gz FGWINZWRFVTVKE-KCQAQPDRSA-N 0 1 385.476 0.390 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571265268 945503817 /nfs/dbraw/zinc/50/38/17/945503817.db2.gz FGWINZWRFVTVKE-KCQAQPDRSA-N 0 1 385.476 0.390 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CCN1c1nc(C)cc(-c2nn[n-]n2)n1 ZINC001571265268 945503823 /nfs/dbraw/zinc/50/38/23/945503823.db2.gz FGWINZWRFVTVKE-KCQAQPDRSA-N 0 1 385.476 0.390 20 0 GCADMN CCc1nc(NC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc(-c2nn[n-]n2)n1 ZINC001571265249 945504259 /nfs/dbraw/zinc/50/42/59/945504259.db2.gz DSDLHFPAMUXKGW-AWEZNQCLSA-N 0 1 385.476 0.716 20 0 GCADMN CCc1nc(NC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc(-c2nn[n-]n2)n1 ZINC001571265249 945504271 /nfs/dbraw/zinc/50/42/71/945504271.db2.gz DSDLHFPAMUXKGW-AWEZNQCLSA-N 0 1 385.476 0.716 20 0 GCADMN CCc1nc(NC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc(-c2nn[n-]n2)n1 ZINC001571265250 945504615 /nfs/dbraw/zinc/50/46/15/945504615.db2.gz DSDLHFPAMUXKGW-CQSZACIVSA-N 0 1 385.476 0.716 20 0 GCADMN CCc1nc(NC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc(-c2nn[n-]n2)n1 ZINC001571265250 945504622 /nfs/dbraw/zinc/50/46/22/945504622.db2.gz DSDLHFPAMUXKGW-CQSZACIVSA-N 0 1 385.476 0.716 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571265246 945504765 /nfs/dbraw/zinc/50/47/65/945504765.db2.gz DQFKCBZUYBYWTQ-ZFWWWQNUSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1)c1cnc(-c2nn[n-]n2)cn1 ZINC001571265246 945504768 /nfs/dbraw/zinc/50/47/68/945504768.db2.gz DQFKCBZUYBYWTQ-ZFWWWQNUSA-N 0 1 385.476 0.426 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265311 945506076 /nfs/dbraw/zinc/50/60/76/945506076.db2.gz GYMBBVSIMSXYIT-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265311 945506078 /nfs/dbraw/zinc/50/60/78/945506078.db2.gz GYMBBVSIMSXYIT-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265311 945506080 /nfs/dbraw/zinc/50/60/80/945506080.db2.gz GYMBBVSIMSXYIT-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265282 945508170 /nfs/dbraw/zinc/50/81/70/945508170.db2.gz FWUYKCMTXCOYOB-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(Nc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265282 945508176 /nfs/dbraw/zinc/50/81/76/945508176.db2.gz FWUYKCMTXCOYOB-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571265282 945508180 /nfs/dbraw/zinc/50/81/80/945508180.db2.gz FWUYKCMTXCOYOB-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(Nc2nccnc2-c2nn[n-]n2)CC1 ZINC001571265282 945508184 /nfs/dbraw/zinc/50/81/84/945508184.db2.gz FWUYKCMTXCOYOB-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001571265430 945509607 /nfs/dbraw/zinc/50/96/07/945509607.db2.gz GPBCKTZLJFXKNG-ZIAGYGMSSA-N 0 1 385.476 0.838 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2Nc2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001571265430 945509611 /nfs/dbraw/zinc/50/96/11/945509611.db2.gz GPBCKTZLJFXKNG-ZIAGYGMSSA-N 0 1 385.476 0.838 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265541 945513701 /nfs/dbraw/zinc/51/37/01/945513701.db2.gz HWLRKVSGFJXKHW-XDQVBPFNSA-N 0 1 385.476 0.836 20 0 GCADMN C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265541 945513714 /nfs/dbraw/zinc/51/37/14/945513714.db2.gz HWLRKVSGFJXKHW-XDQVBPFNSA-N 0 1 385.476 0.836 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nnn[n-]3)n2)CC[N@H+]1C ZINC001571265543 945514751 /nfs/dbraw/zinc/51/47/51/945514751.db2.gz LIVKJIJXNXBZLL-HZSPNIEDSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC[N@@H+]1C ZINC001571265543 945514758 /nfs/dbraw/zinc/51/47/58/945514758.db2.gz LIVKJIJXNXBZLL-HZSPNIEDSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)CC[N@H+]1C ZINC001571265543 945514765 /nfs/dbraw/zinc/51/47/65/945514765.db2.gz LIVKJIJXNXBZLL-HZSPNIEDSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC[N@@H+]1C ZINC001571265661 945516184 /nfs/dbraw/zinc/51/61/84/945516184.db2.gz OGCYKRAKVDKWGX-MJBXVCDLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](CNc3cnc(-c4nnn[n-]4)cn3)C2)CC[N@H+]1C ZINC001571265661 945516192 /nfs/dbraw/zinc/51/61/92/945516192.db2.gz OGCYKRAKVDKWGX-MJBXVCDLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC[N@@H+]1C ZINC001571265661 945516199 /nfs/dbraw/zinc/51/61/99/945516199.db2.gz OGCYKRAKVDKWGX-MJBXVCDLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)CC[N@H+]1C ZINC001571265661 945516207 /nfs/dbraw/zinc/51/62/07/945516207.db2.gz OGCYKRAKVDKWGX-MJBXVCDLSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571265730 945517581 /nfs/dbraw/zinc/51/75/81/945517581.db2.gz JGHRRNAUFQAMGX-CHWSQXEVSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571265730 945517590 /nfs/dbraw/zinc/51/75/90/945517590.db2.gz JGHRRNAUFQAMGX-CHWSQXEVSA-N 0 1 385.476 0.790 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001571265696 945517779 /nfs/dbraw/zinc/51/77/79/945517779.db2.gz ITMBASDIDIPXFE-AWEZNQCLSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001571265696 945517783 /nfs/dbraw/zinc/51/77/83/945517783.db2.gz ITMBASDIDIPXFE-AWEZNQCLSA-N 0 1 385.476 0.474 20 0 GCADMN CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265708 945518139 /nfs/dbraw/zinc/51/81/39/945518139.db2.gz IVBNRAWBDMADAY-HZSPNIEDSA-N 0 1 385.476 0.424 20 0 GCADMN CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265708 945518144 /nfs/dbraw/zinc/51/81/44/945518144.db2.gz IVBNRAWBDMADAY-HZSPNIEDSA-N 0 1 385.476 0.424 20 0 GCADMN CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265708 945518156 /nfs/dbraw/zinc/51/81/56/945518156.db2.gz IVBNRAWBDMADAY-HZSPNIEDSA-N 0 1 385.476 0.424 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265721 945518356 /nfs/dbraw/zinc/51/83/56/945518356.db2.gz JBHMZGFNKBDAFZ-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265721 945518363 /nfs/dbraw/zinc/51/83/63/945518363.db2.gz JBHMZGFNKBDAFZ-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265721 945518371 /nfs/dbraw/zinc/51/83/71/945518371.db2.gz JBHMZGFNKBDAFZ-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265721 945518377 /nfs/dbraw/zinc/51/83/77/945518377.db2.gz JBHMZGFNKBDAFZ-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)nn3)CC2)CC1 ZINC001571265698 945519483 /nfs/dbraw/zinc/51/94/83/945519483.db2.gz ITMBASDIDIPXFE-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(C(=O)N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)CC2)CC1 ZINC001571265698 945519489 /nfs/dbraw/zinc/51/94/89/945519489.db2.gz ITMBASDIDIPXFE-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265772 945520368 /nfs/dbraw/zinc/52/03/68/945520368.db2.gz JWDVMHNHWZOCHE-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cnc(-c4nnn[n-]4)cn3)C2)C1 ZINC001571265772 945520375 /nfs/dbraw/zinc/52/03/75/945520375.db2.gz JWDVMHNHWZOCHE-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265772 945520380 /nfs/dbraw/zinc/52/03/80/945520380.db2.gz JWDVMHNHWZOCHE-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265772 945520385 /nfs/dbraw/zinc/52/03/85/945520385.db2.gz JWDVMHNHWZOCHE-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265775 945521091 /nfs/dbraw/zinc/52/10/91/945521091.db2.gz JXENXIMMVNVOBT-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265775 945521096 /nfs/dbraw/zinc/52/10/96/945521096.db2.gz JXENXIMMVNVOBT-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001571265812 945521555 /nfs/dbraw/zinc/52/15/55/945521555.db2.gz PLGHXLKXDZOLSA-HIFRSBDPSA-N 0 1 385.476 0.852 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001571265812 945521562 /nfs/dbraw/zinc/52/15/62/945521562.db2.gz PLGHXLKXDZOLSA-HIFRSBDPSA-N 0 1 385.476 0.852 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccncc1Cl ZINC001571265861 945523164 /nfs/dbraw/zinc/52/31/64/945523164.db2.gz QRZAIPXOXZCJCG-JOYOIKCWSA-N 0 1 385.819 0.842 20 0 GCADMN C[NH+]1CCC(CC(=O)N2CCCN(c3ccnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001571265910 945523636 /nfs/dbraw/zinc/52/36/36/945523636.db2.gz KTVFANKFCBRUBD-UHFFFAOYSA-N 0 1 385.476 0.427 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)CC[N@@H+]1C ZINC001571265880 945523913 /nfs/dbraw/zinc/52/39/13/945523913.db2.gz REKLLDDGDBYAKO-MELADBBJSA-N 0 1 385.476 0.424 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nnn[n-]3)C2)CC[N@H+]1C ZINC001571265880 945523922 /nfs/dbraw/zinc/52/39/22/945523922.db2.gz REKLLDDGDBYAKO-MELADBBJSA-N 0 1 385.476 0.424 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)CC[N@@H+]1C ZINC001571265880 945523927 /nfs/dbraw/zinc/52/39/27/945523927.db2.gz REKLLDDGDBYAKO-MELADBBJSA-N 0 1 385.476 0.424 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N(C)c3nccnc3-c3nn[n-]n3)C2)CC[N@H+]1C ZINC001571265880 945523931 /nfs/dbraw/zinc/52/39/31/945523931.db2.gz REKLLDDGDBYAKO-MELADBBJSA-N 0 1 385.476 0.424 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571265975 945525962 /nfs/dbraw/zinc/52/59/62/945525962.db2.gz MAFCIWKQALPURY-ZIAGYGMSSA-N 0 1 385.476 0.932 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571265975 945525970 /nfs/dbraw/zinc/52/59/70/945525970.db2.gz MAFCIWKQALPURY-ZIAGYGMSSA-N 0 1 385.476 0.932 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571265975 945525977 /nfs/dbraw/zinc/52/59/77/945525977.db2.gz MAFCIWKQALPURY-ZIAGYGMSSA-N 0 1 385.476 0.932 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571265975 945525982 /nfs/dbraw/zinc/52/59/82/945525982.db2.gz MAFCIWKQALPURY-ZIAGYGMSSA-N 0 1 385.476 0.932 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571265974 945527301 /nfs/dbraw/zinc/52/73/01/945527301.db2.gz MAFCIWKQALPURY-KGLIPLIRSA-N 0 1 385.476 0.932 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001571265974 945527307 /nfs/dbraw/zinc/52/73/07/945527307.db2.gz MAFCIWKQALPURY-KGLIPLIRSA-N 0 1 385.476 0.932 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571265974 945527311 /nfs/dbraw/zinc/52/73/11/945527311.db2.gz MAFCIWKQALPURY-KGLIPLIRSA-N 0 1 385.476 0.932 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001571265974 945527317 /nfs/dbraw/zinc/52/73/17/945527317.db2.gz MAFCIWKQALPURY-KGLIPLIRSA-N 0 1 385.476 0.932 20 0 GCADMN C[N@@H+](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[nH]n1)C1CCC1 ZINC001571265997 945527409 /nfs/dbraw/zinc/52/74/09/945527409.db2.gz MMSKVOALDLTKRH-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001571265997 945527416 /nfs/dbraw/zinc/52/74/16/945527416.db2.gz MMSKVOALDLTKRH-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+](CC(=O)N1CCCC[C@@H]1CNc1nccnc1-c1nn[n-]n1)C1CCC1 ZINC001571265997 945527421 /nfs/dbraw/zinc/52/74/21/945527421.db2.gz MMSKVOALDLTKRH-CQSZACIVSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571266040 945529426 /nfs/dbraw/zinc/52/94/26/945529426.db2.gz UMOHSMKPUSAGQC-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CCNc1cncc(-c2nn[n-]n2)n1 ZINC001571266040 945529428 /nfs/dbraw/zinc/52/94/28/945529428.db2.gz UMOHSMKPUSAGQC-DZGCQCFKSA-N 0 1 385.476 0.934 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC001571266069 945529689 /nfs/dbraw/zinc/52/96/89/945529689.db2.gz VMPXBPMGQPOKJA-GXTWGEPZSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001571266069 945529697 /nfs/dbraw/zinc/52/96/97/945529697.db2.gz VMPXBPMGQPOKJA-GXTWGEPZSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)n1 ZINC001571266069 945529705 /nfs/dbraw/zinc/52/97/05/945529705.db2.gz VMPXBPMGQPOKJA-GXTWGEPZSA-N 0 1 385.476 0.248 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C(C)(C)C2)n1 ZINC001571266069 945529713 /nfs/dbraw/zinc/52/97/13/945529713.db2.gz VMPXBPMGQPOKJA-GXTWGEPZSA-N 0 1 385.476 0.248 20 0 GCADMN C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571266233 945534719 /nfs/dbraw/zinc/53/47/19/945534719.db2.gz YFEDSWIHDBBFLN-HNNXBMFYSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)N1CCC(CNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571266233 945534722 /nfs/dbraw/zinc/53/47/22/945534722.db2.gz YFEDSWIHDBBFLN-HNNXBMFYSA-N 0 1 385.476 0.792 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266326 945539641 /nfs/dbraw/zinc/53/96/41/945539641.db2.gz ZKDNHKZJDPGTGF-ZIAGYGMSSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nnn[n-]2)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266326 945539645 /nfs/dbraw/zinc/53/96/45/945539645.db2.gz ZKDNHKZJDPGTGF-ZIAGYGMSSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001571266326 945539650 /nfs/dbraw/zinc/53/96/50/945539650.db2.gz ZKDNHKZJDPGTGF-ZIAGYGMSSA-N 0 1 385.476 0.567 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NCC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC001571266326 945539654 /nfs/dbraw/zinc/53/96/54/945539654.db2.gz ZKDNHKZJDPGTGF-ZIAGYGMSSA-N 0 1 385.476 0.567 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266470 945542955 /nfs/dbraw/zinc/54/29/55/945542955.db2.gz RKCBYZMDFQSPDE-DZGCQCFKSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571266470 945542960 /nfs/dbraw/zinc/54/29/60/945542960.db2.gz RKCBYZMDFQSPDE-DZGCQCFKSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[NH+]1CCCCCC1 ZINC001571266485 945543956 /nfs/dbraw/zinc/54/39/56/945543956.db2.gz RQSBVMBNUWNLGF-CQSZACIVSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@H](C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCCCC1 ZINC001571266485 945543958 /nfs/dbraw/zinc/54/39/58/945543958.db2.gz RQSBVMBNUWNLGF-CQSZACIVSA-N 0 1 385.476 0.570 20 0 GCADMN C[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571266522 945544516 /nfs/dbraw/zinc/54/45/16/945544516.db2.gz SXDIXIVDFXUQJY-KBPBESRZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001571266522 945544526 /nfs/dbraw/zinc/54/45/26/945544526.db2.gz SXDIXIVDFXUQJY-KBPBESRZSA-N 0 1 385.476 0.790 20 0 GCADMN CN(C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001571266547 945545774 /nfs/dbraw/zinc/54/57/74/945545774.db2.gz TYDTYHBAWZHMFM-HIFRSBDPSA-N 0 1 385.476 0.568 20 0 GCADMN CN(C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001571266547 945545781 /nfs/dbraw/zinc/54/57/81/945545781.db2.gz TYDTYHBAWZHMFM-HIFRSBDPSA-N 0 1 385.476 0.568 20 0 GCADMN CN(c1cncc(-c2nnn[n-]2)n1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001571266583 945546735 /nfs/dbraw/zinc/54/67/35/945546735.db2.gz UMBYHQGBMOPNKU-UHFFFAOYSA-N 0 1 385.476 0.568 20 0 GCADMN CN(c1cncc(-c2nn[n-]n2)n1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001571266583 945546740 /nfs/dbraw/zinc/54/67/40/945546740.db2.gz UMBYHQGBMOPNKU-UHFFFAOYSA-N 0 1 385.476 0.568 20 0 GCADMN C[NH+]1CCC(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001571266603 945547460 /nfs/dbraw/zinc/54/74/60/945547460.db2.gz VFFGPGKACWBJIT-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001571266692 945548827 /nfs/dbraw/zinc/54/88/27/945548827.db2.gz WUWONPJLHZILEO-JOCQHMNTSA-N 0 1 385.476 0.402 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571266673 945549022 /nfs/dbraw/zinc/54/90/22/945549022.db2.gz WLFYIAJKLLASKH-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266673 945549029 /nfs/dbraw/zinc/54/90/29/945549029.db2.gz WLFYIAJKLLASKH-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266673 945549034 /nfs/dbraw/zinc/54/90/34/945549034.db2.gz WLFYIAJKLLASKH-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571266703 945549184 /nfs/dbraw/zinc/54/91/84/945549184.db2.gz XEKRQIPROYLQKP-ZIAGYGMSSA-N 0 1 385.476 0.568 20 0 GCADMN C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001571266683 945549452 /nfs/dbraw/zinc/54/94/52/945549452.db2.gz WNQKFXBVUXWSIS-DZGCQCFKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001571266683 945549457 /nfs/dbraw/zinc/54/94/57/945549457.db2.gz WNQKFXBVUXWSIS-DZGCQCFKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571266701 945550207 /nfs/dbraw/zinc/55/02/07/945550207.db2.gz XEKRQIPROYLQKP-KBPBESRZSA-N 0 1 385.476 0.568 20 0 GCADMN Cc1cc(N[C@H]2CN(C(=O)CC3(O)CCC3)CC2(C)C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266669 945550247 /nfs/dbraw/zinc/55/02/47/945550247.db2.gz WGASACADSXXRMS-HNNXBMFYSA-N 0 1 385.472 0.946 20 0 GCADMN Cc1cc(NC2CCN(C(=O)C[C@@](C)(O)C3CC3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571266798 945551992 /nfs/dbraw/zinc/55/19/92/945551992.db2.gz ZJKFHQNDKWDDIM-LJQANCHMSA-N 0 1 385.472 0.946 20 0 GCADMN CCc1nc(N[C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571266742 945552331 /nfs/dbraw/zinc/55/23/31/945552331.db2.gz YKCUXUQZUSGCED-AVGNSLFASA-N 0 1 385.476 0.620 20 0 GCADMN CCc1nc(N[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc(-c2nn[n-]n2)n1 ZINC001571266742 945552341 /nfs/dbraw/zinc/55/23/41/945552341.db2.gz YKCUXUQZUSGCED-AVGNSLFASA-N 0 1 385.476 0.620 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571266730 945552648 /nfs/dbraw/zinc/55/26/48/945552648.db2.gz YBRXZFKDCMKVDW-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571266730 945552654 /nfs/dbraw/zinc/55/26/54/945552654.db2.gz YBRXZFKDCMKVDW-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3ccc(-c4nn[nH]n4)nn3)C2)CC[N@H+]1C ZINC001571266773 945552728 /nfs/dbraw/zinc/55/27/28/945552728.db2.gz ZBCSDQXZRNDJIV-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CC[N@@H+]1C ZINC001571266773 945552735 /nfs/dbraw/zinc/55/27/35/945552735.db2.gz ZBCSDQXZRNDJIV-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3ccc(-c4nnn[n-]4)nn3)C2)CC[N@H+]1C ZINC001571266773 945552739 /nfs/dbraw/zinc/55/27/39/945552739.db2.gz ZBCSDQXZRNDJIV-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)CC[N@@H+]1C ZINC001571266773 945552745 /nfs/dbraw/zinc/55/27/45/945552745.db2.gz ZBCSDQXZRNDJIV-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)NCC2CC(Nc3ccc(-c4nn[n-]n4)nn3)C2)CC[N@H+]1C ZINC001571266773 945552751 /nfs/dbraw/zinc/55/27/51/945552751.db2.gz ZBCSDQXZRNDJIV-NSOJWWLLSA-N 0 1 385.476 0.694 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571266802 945553873 /nfs/dbraw/zinc/55/38/73/945553873.db2.gz ZKQNFPQAPUKZBX-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571266802 945553878 /nfs/dbraw/zinc/55/38/78/945553878.db2.gz ZKQNFPQAPUKZBX-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266802 945553885 /nfs/dbraw/zinc/55/38/85/945553885.db2.gz ZKQNFPQAPUKZBX-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266802 945553894 /nfs/dbraw/zinc/55/38/94/945553894.db2.gz ZKQNFPQAPUKZBX-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CN(C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1nccnc1-c1nnn[n-]1 ZINC001571266816 945554624 /nfs/dbraw/zinc/55/46/24/945554624.db2.gz ZPFNQLFDQILLCS-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571266816 945554633 /nfs/dbraw/zinc/55/46/33/945554633.db2.gz ZPFNQLFDQILLCS-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN 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CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573475493 946102396 /nfs/dbraw/zinc/10/23/96/946102396.db2.gz UWFVWCNZENUVAM-GIPNMCIBSA-N 0 1 377.474 0.389 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573475493 946102403 /nfs/dbraw/zinc/10/24/03/946102403.db2.gz UWFVWCNZENUVAM-GIPNMCIBSA-N 0 1 377.474 0.389 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573475730 946104714 /nfs/dbraw/zinc/10/47/14/946104714.db2.gz AEUQWQFHLYZKPE-ZMZPIMSZSA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573475707 946104900 /nfs/dbraw/zinc/10/49/00/946104900.db2.gz AENMSRZXAIHFJU-ZMZPIMSZSA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573475771 946104965 /nfs/dbraw/zinc/10/49/65/946104965.db2.gz AOIDNJZGQWZLAR-OCCSQVGLSA-N 0 1 386.460 0.570 20 0 GCADMN CN1CCC[C@@H]1C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)CCO1 ZINC001571293437 946106000 /nfs/dbraw/zinc/10/60/00/946106000.db2.gz ILNJHMKEWRFDMM-IUODEOHRSA-N 0 1 389.435 0.421 20 0 GCADMN CC[C@H](F)C(=O)N1CCN([C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571293830 946118323 /nfs/dbraw/zinc/11/83/23/946118323.db2.gz SUISTENYRGIHTP-OLZOCXBDSA-N 0 1 389.439 0.128 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573476460 946118352 /nfs/dbraw/zinc/11/83/52/946118352.db2.gz HCJSADCXUAOPOU-LLVKDONJSA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC1(C)CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573476639 946123854 /nfs/dbraw/zinc/12/38/54/946123854.db2.gz IBLLIUCCHXWXQL-GFCCVEGCSA-N 0 1 386.460 0.570 20 0 GCADMN C[C@@H]1C[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC001571294084 946125260 /nfs/dbraw/zinc/12/52/60/946125260.db2.gz ADQJCRKNWCOGSY-NTZNESFSSA-N 0 1 389.485 0.533 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC001571294084 946125264 /nfs/dbraw/zinc/12/52/64/946125264.db2.gz ADQJCRKNWCOGSY-NTZNESFSSA-N 0 1 389.485 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573477062 946128513 /nfs/dbraw/zinc/12/85/13/946128513.db2.gz LVTYQJHFCKFGFE-OIKLOGQESA-N 0 1 377.474 0.437 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573477062 946128517 /nfs/dbraw/zinc/12/85/17/946128517.db2.gz LVTYQJHFCKFGFE-OIKLOGQESA-N 0 1 377.474 0.437 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)NC1(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CCCC1 ZINC001573477070 946128609 /nfs/dbraw/zinc/12/86/09/946128609.db2.gz MAXUHVRKSILXIV-LBPRGKRZSA-N 0 1 386.460 0.358 20 0 GCADMN O=C(C[C@H]1CCC(=O)NC1)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294349 946131277 /nfs/dbraw/zinc/13/12/77/946131277.db2.gz GMFBTMJFHLKAOS-VXGBXAGGSA-N 0 1 389.485 0.535 20 0 GCADMN CC1(C)CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571294340 946131986 /nfs/dbraw/zinc/13/19/86/946131986.db2.gz GFAPPUUXOSPEEW-DGCLKSJQSA-N 0 1 389.485 0.533 20 0 GCADMN CC1(C)CN(C(=O)[C@H]2CCC(=O)N2)C[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571294340 946131994 /nfs/dbraw/zinc/13/19/94/946131994.db2.gz GFAPPUUXOSPEEW-DGCLKSJQSA-N 0 1 389.485 0.533 20 0 GCADMN O=C(NC1CCN(CCn2cc(Cl)cn2)CC1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571294411 946133583 /nfs/dbraw/zinc/13/35/83/946133583.db2.gz FBSVWYNTPUYGGV-UHFFFAOYSA-N 0 1 389.851 0.939 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573477553 946139498 /nfs/dbraw/zinc/13/94/98/946139498.db2.gz RRILUOCDKCRACF-HWPZZCPQSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573477553 946139501 /nfs/dbraw/zinc/13/95/01/946139501.db2.gz RRILUOCDKCRACF-HWPZZCPQSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)c1cc(C(F)F)n[nH]1 ZINC001571295333 946159288 /nfs/dbraw/zinc/15/92/88/946159288.db2.gz YAPSIVAPMOQVBR-HTQZYQBOSA-N 0 1 390.358 0.454 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001573479418 946159321 /nfs/dbraw/zinc/15/93/21/946159321.db2.gz CPPMMAMYHSLANA-GWCFXTLKSA-N 0 1 379.490 0.683 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001573479418 946159326 /nfs/dbraw/zinc/15/93/26/946159326.db2.gz CPPMMAMYHSLANA-GWCFXTLKSA-N 0 1 379.490 0.683 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573479404 946159412 /nfs/dbraw/zinc/15/94/12/946159412.db2.gz CMRKQAKCMVDQRW-RISCZKNCSA-N 0 1 389.435 0.469 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)c(F)c2)C1 ZINC001573479404 946159416 /nfs/dbraw/zinc/15/94/16/946159416.db2.gz CMRKQAKCMVDQRW-RISCZKNCSA-N 0 1 389.435 0.469 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573479381 946159452 /nfs/dbraw/zinc/15/94/52/946159452.db2.gz CGCYLGRADOSWGU-TZMCWYRMSA-N 0 1 386.460 0.570 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@@]1(C)CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573479519 946160730 /nfs/dbraw/zinc/16/07/30/946160730.db2.gz DWUOAUZUSBKLPS-KZULUSFZSA-N 0 1 386.460 0.509 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001573479549 946163928 /nfs/dbraw/zinc/16/39/28/946163928.db2.gz FERAPMFFNGTDRN-YPMHNXCESA-N 0 1 387.448 0.047 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573479719 946165384 /nfs/dbraw/zinc/16/53/84/946165384.db2.gz GSRBVETXJLRCRE-TZMCWYRMSA-N 0 1 386.460 0.427 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)NC[C@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573479712 946165681 /nfs/dbraw/zinc/16/56/81/946165681.db2.gz GSRBVETXJLRCRE-GXTWGEPZSA-N 0 1 386.460 0.427 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)F)C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001571295783 946174571 /nfs/dbraw/zinc/17/45/71/946174571.db2.gz FYFCFBBHXBNZAO-APPDUMDISA-N 0 1 390.423 0.601 20 0 GCADMN CN(C(=O)[C@H]1COCCO1)[C@@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571295979 946181715 /nfs/dbraw/zinc/18/17/15/946181715.db2.gz LGMWZZAJTFGYMT-GDBMZVCRSA-N 0 1 390.419 0.454 20 0 GCADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1ccc(F)s1 ZINC001571296340 946191009 /nfs/dbraw/zinc/19/10/09/946191009.db2.gz VGGPWRUMSILRST-DTWKUNHWSA-N 0 1 390.404 0.227 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NCC[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573485560 946229022 /nfs/dbraw/zinc/22/90/22/946229022.db2.gz WCJBQEZICGABGU-TZMCWYRMSA-N 0 1 386.460 0.427 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573485752 946231905 /nfs/dbraw/zinc/23/19/05/946231905.db2.gz YGFKCQUBKDYGJD-YUSALJHKSA-N 0 1 377.474 0.437 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573485752 946231918 /nfs/dbraw/zinc/23/19/18/946231918.db2.gz YGFKCQUBKDYGJD-YUSALJHKSA-N 0 1 377.474 0.437 20 0 GCADMN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299406 946248434 /nfs/dbraw/zinc/24/84/34/946248434.db2.gz MTWQUXXEFZVMLJ-DMDPSCGWSA-N 0 1 390.517 0.914 20 0 GCADMN Cc1nsc(N2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1-c1nn[n-]n1 ZINC001571299406 946248445 /nfs/dbraw/zinc/24/84/45/946248445.db2.gz MTWQUXXEFZVMLJ-DMDPSCGWSA-N 0 1 390.517 0.914 20 0 GCADMN CO[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1NC(=O)c1occc1Cl ZINC001571299634 946255390 /nfs/dbraw/zinc/25/53/90/946255390.db2.gz NVUXAYQJJCFLIK-NXEZZACHSA-N 0 1 390.791 0.537 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(Cc2cc(F)ccc2-c2nn[nH]n2)[C@@H]1C ZINC001573488154 946267923 /nfs/dbraw/zinc/26/79/23/946267923.db2.gz ZHSGKFBTBCRVEU-USBNGQNGSA-N 0 1 389.435 0.609 20 0 GCADMN CC(=O)NC1(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CC2)CCCC1 ZINC001573488698 946273220 /nfs/dbraw/zinc/27/32/20/946273220.db2.gz JCLPPCLLGUKRRG-UHFFFAOYSA-N 0 1 384.444 0.193 20 0 GCADMN CC(=O)NC1(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001573488726 946274878 /nfs/dbraw/zinc/27/48/78/946274878.db2.gz KJFHRRCGQXDBSR-LLVKDONJSA-N 0 1 391.501 0.971 20 0 GCADMN CC(=O)NC1(C(=O)N[C@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001573488726 946274889 /nfs/dbraw/zinc/27/48/89/946274889.db2.gz KJFHRRCGQXDBSR-LLVKDONJSA-N 0 1 391.501 0.971 20 0 GCADMN CC(=O)NC1(C(=O)N[C@H](C)CCNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001573488747 946275563 /nfs/dbraw/zinc/27/55/63/946275563.db2.gz LBROCGJSLLTVRY-GFCCVEGCSA-N 0 1 386.460 0.439 20 0 GCADMN CC(=O)NC1(C(=O)N(C)C[C@@H](C)Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001573489101 946285785 /nfs/dbraw/zinc/28/57/85/946285785.db2.gz XLSLDEOFFKSHNP-GFCCVEGCSA-N 0 1 386.460 0.391 20 0 GCADMN O=C(c1ccncc1)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571302635 946309575 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ZINC001573528122 946657358 /nfs/dbraw/zinc/65/73/58/946657358.db2.gz VONWRJWREBKCFW-JTQLQIEISA-N 0 1 379.490 0.685 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573528122 946657365 /nfs/dbraw/zinc/65/73/65/946657365.db2.gz VONWRJWREBKCFW-JTQLQIEISA-N 0 1 379.490 0.685 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)N(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573528190 946659243 /nfs/dbraw/zinc/65/92/43/946659243.db2.gz XYVJBGWZVGEKOS-LBPRGKRZSA-N 0 1 388.476 0.673 20 0 GCADMN C[C@@H](CN1CCOCC1)C(=O)NC1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000824414299 946700493 /nfs/dbraw/zinc/70/04/93/946700493.db2.gz YZAFIYVSZQFKFX-HNNXBMFYSA-N 0 1 399.499 0.920 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1)C(C)C ZINC001573536023 946729290 /nfs/dbraw/zinc/72/92/90/946729290.db2.gz OAJMRQWUNCDTOZ-DVOMOZLQSA-N 0 1 386.460 0.212 20 0 GCADMN CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001573536204 946732861 /nfs/dbraw/zinc/73/28/61/946732861.db2.gz SENGMRIWYRECKC-IINYFYTJSA-N 0 1 379.490 0.683 20 0 GCADMN CC(=O)N[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001573536204 946732875 /nfs/dbraw/zinc/73/28/75/946732875.db2.gz SENGMRIWYRECKC-IINYFYTJSA-N 0 1 379.490 0.683 20 0 GCADMN CC(=O)N[C@@H](C(=O)N(C)[C@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573536720 946740315 /nfs/dbraw/zinc/74/03/15/946740315.db2.gz ASHFSIMOQCOLFI-MLGOLLRUSA-N 0 1 388.476 0.412 20 0 GCADMN CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)CCNc1ccncc1-c1nn[nH]n1 ZINC001573538221 946765559 /nfs/dbraw/zinc/76/55/59/946765559.db2.gz PYQDKMKGJCLJCZ-LRDDRELGSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573538658 946774160 /nfs/dbraw/zinc/77/41/60/946774160.db2.gz ZNXNSYAQKUKTIS-MEDUHNTESA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)N(C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573540397 946775431 /nfs/dbraw/zinc/77/54/31/946775431.db2.gz CLNDTZZBMFLFRC-MRXNPFEDSA-N 0 1 388.476 0.413 20 0 GCADMN CC(=O)N[C@H](C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1)C(C)(C)C ZINC001573540428 946775755 /nfs/dbraw/zinc/77/57/55/946775755.db2.gz DQCCZJKQYNZQHK-GXFFZTMASA-N 0 1 389.464 0.148 20 0 GCADMN CC(=O)N[C@H](C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573541909 946789755 /nfs/dbraw/zinc/78/97/55/946789755.db2.gz XVQZTRWMGDVXDU-XHDPSFHLSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)Nc1cccc(C(=O)NCCN(C)c2ccnc(-c3nn[nH]n3)n2)c1 ZINC001573546715 946818662 /nfs/dbraw/zinc/81/86/62/946818662.db2.gz NVRMJXRQJSBNCM-UHFFFAOYSA-N 0 1 381.400 0.481 20 0 GCADMN CC(=O)Nc1cccc(C(=O)N[C@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c1 ZINC001573546911 946821650 /nfs/dbraw/zinc/82/16/50/946821650.db2.gz RHLGMQVJIRJPRU-SNVBAGLBSA-N 0 1 381.400 0.267 20 0 GCADMN CC(=O)Nc1ccc(C(=O)N[C@@H](C)CNc2ccncc2-c2nn[nH]n2)cc1 ZINC001573546910 946821712 /nfs/dbraw/zinc/82/17/12/946821712.db2.gz BKKQFOMGNNUEPR-NSHDSACASA-N 0 1 380.412 0.872 20 0 GCADMN C[C@H](O)CN1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000824706388 946904904 /nfs/dbraw/zinc/90/49/04/946904904.db2.gz IEEZAILCPKBNPW-RVKKMQEKSA-N 0 1 399.499 0.749 20 0 GCADMN C[C@H]1[C@H](C)N(C(=O)OC(C)(C)C)CCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000824860521 946954896 /nfs/dbraw/zinc/95/48/96/946954896.db2.gz VJQLIIIDXPVGGE-QWRGUYRKSA-N 0 1 391.436 0.315 20 0 GCADMN C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000824975817 947017959 /nfs/dbraw/zinc/01/79/59/947017959.db2.gz LLMJDPYEBBASSS-QWRGUYRKSA-N 0 1 391.436 0.315 20 0 GCADMN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@](C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573584955 947240342 /nfs/dbraw/zinc/24/03/42/947240342.db2.gz BBSOYOUGDZJUDM-XIKOKIGWSA-N 0 1 388.476 0.644 20 0 GCADMN CC(C)N(C)C(=O)[C@H](C)N1CC[C@@](C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573584949 947241939 /nfs/dbraw/zinc/24/19/39/947241939.db2.gz BBSOYOUGDZJUDM-KPZWWZAWSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H](C(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573591385 947310472 /nfs/dbraw/zinc/31/04/72/947310472.db2.gz BBJPZFQWNLPHFD-WCQYABFASA-N 0 1 382.432 0.231 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(C)(F)F ZINC001573591982 947321845 /nfs/dbraw/zinc/32/18/45/947321845.db2.gz HSMSCAPSBXKLKR-GHMZBOCLSA-N 0 1 383.403 0.809 20 0 GCADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCO1 ZINC001573592300 947333082 /nfs/dbraw/zinc/33/30/82/947333082.db2.gz IYPDRSYVIRLHBM-CHWSQXEVSA-N 0 1 388.476 0.790 20 0 GCADMN C[NH+](C)C1CCN(c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)CC1 ZINC000825856309 947348073 /nfs/dbraw/zinc/34/80/73/947348073.db2.gz SYMMKWMFWRVGCJ-UHFFFAOYSA-N 0 1 396.459 0.627 20 0 GCADMN C[C@@H](C(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)n1cncn1 ZINC001573592828 947354006 /nfs/dbraw/zinc/35/40/06/947354006.db2.gz NSBDJABCICGHEU-LBPRGKRZSA-N 0 1 384.448 0.433 20 0 GCADMN C[C@H](C(=O)N(C)C)N1CCC[C@@](C)(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573592929 947356684 /nfs/dbraw/zinc/35/66/84/947356684.db2.gz GPCQTUWGNUWCSR-XIKOKIGWSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H](C(=O)N(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573594206 947389676 /nfs/dbraw/zinc/38/96/76/947389676.db2.gz OQIWDGHXVGFNPW-WPRPVWTQSA-N 0 1 384.366 0.926 20 0 GCADMN C[C@H](C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1)[C@H]1CCC(=O)N1 ZINC001573594350 947391983 /nfs/dbraw/zinc/39/19/83/947391983.db2.gz AHVQPOGEFGTJBX-GXTWGEPZSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573594450 947394317 /nfs/dbraw/zinc/39/43/17/947394317.db2.gz AZWAVGHVIQYIEW-WDEREUQCSA-N 0 1 388.457 0.175 20 0 GCADMN C[C@H](C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573594462 947395273 /nfs/dbraw/zinc/39/52/73/947395273.db2.gz BAYQAXMMJBBJAR-JSGCOSHPSA-N 0 1 382.428 0.114 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cccnc1 ZINC001573594464 947396050 /nfs/dbraw/zinc/39/60/50/947396050.db2.gz BAYQAXMMJBBJAR-OCCSQVGLSA-N 0 1 382.428 0.114 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)c1cccs1 ZINC001573594444 947396124 /nfs/dbraw/zinc/39/61/24/947396124.db2.gz AZWAVGHVIQYIEW-GHMZBOCLSA-N 0 1 388.457 0.175 20 0 GCADMN Cn1cc(CN2C[C@H]3OCCN(C)[C@@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826044741 947415166 /nfs/dbraw/zinc/41/51/66/947415166.db2.gz KFXQCHIVJGOPJM-IAGOWNOFSA-N 0 1 380.456 0.782 20 0 GCADMN Cn1cc(CN2C[C@H]3OCCN(C)[C@H]3C2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826044740 947415346 /nfs/dbraw/zinc/41/53/46/947415346.db2.gz KFXQCHIVJGOPJM-DLBZAZTESA-N 0 1 380.456 0.782 20 0 GCADMN C[C@@H](C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573595317 947419703 /nfs/dbraw/zinc/41/97/03/947419703.db2.gz XOKZJEFXDYZBHX-LMWSTFAQSA-N 0 1 381.444 0.622 20 0 GCADMN C[C@@H](C(=O)N(C)C)N1CCC[C@@](C)(CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573595298 947419760 /nfs/dbraw/zinc/41/97/60/947419760.db2.gz XJVRVKARHZDJGV-SGTLLEGYSA-N 0 1 388.476 0.503 20 0 GCADMN CNC(=O)[C@@H]1CCCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000826060309 947421343 /nfs/dbraw/zinc/42/13/43/947421343.db2.gz KOUSFOPAYAHTHM-ZBFHGGJFSA-N 0 1 383.456 0.820 20 0 GCADMN C[C@@H](C(=O)N(C)C)N1C[C@@H]2CCCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C1 ZINC001573595562 947422636 /nfs/dbraw/zinc/42/26/36/947422636.db2.gz YXYOOKLSBFLBFB-SLEUVZQESA-N 0 1 386.460 0.208 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573599274 947452432 /nfs/dbraw/zinc/45/24/32/947452432.db2.gz WYQJHCHVJLGBBK-WDEREUQCSA-N 0 1 391.436 0.487 20 0 GCADMN C[C@H](C(=O)N(C)CCN(C)c1nccnc1-c1nnn[n-]1)[NH+]1CCCCCC1 ZINC001573604017 947502758 /nfs/dbraw/zinc/50/27/58/947502758.db2.gz QTSGDJADHKVWJJ-CQSZACIVSA-N 0 1 387.492 0.816 20 0 GCADMN C[C@H](C(=O)N(C)CCN(C)c1nccnc1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC001573604017 947502767 /nfs/dbraw/zinc/50/27/67/947502767.db2.gz QTSGDJADHKVWJJ-CQSZACIVSA-N 0 1 387.492 0.816 20 0 GCADMN C[C@H](C(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)s1)[C@@H]1CCC(=O)N1 ZINC001573604380 947507336 /nfs/dbraw/zinc/50/73/36/947507336.db2.gz SUPOOGXSGBZDMT-AAEUAGOBSA-N 0 1 391.501 0.733 20 0 GCADMN O=C([O-])C1CCN(S(=O)(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000327369048 971392814 /nfs/dbraw/zinc/39/28/14/971392814.db2.gz KWQNWXRXHNTGAC-HNNXBMFYSA-N 0 1 375.491 0.215 20 0 GCADMN C[C@@H](C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)n1cnc(-c2nn[nH]n2)n1 ZINC001573606959 947536525 /nfs/dbraw/zinc/53/65/25/947536525.db2.gz BGBBRBWMHIGJGO-LURJTMIESA-N 0 1 375.299 0.283 20 0 GCADMN C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCO1 ZINC001573613548 947565337 /nfs/dbraw/zinc/56/53/37/947565337.db2.gz CFIHEPCNJNYDJU-MQYQWHSLSA-N 0 1 384.444 0.651 20 0 GCADMN C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573614329 947583490 /nfs/dbraw/zinc/58/34/90/947583490.db2.gz LWYZLHQTZSUROS-RKDXNWHRSA-N 0 1 384.366 0.926 20 0 GCADMN C[C@@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)C(F)(F)F ZINC001573614324 947584149 /nfs/dbraw/zinc/58/41/49/947584149.db2.gz LWYZLHQTZSUROS-DTWKUNHWSA-N 0 1 384.366 0.926 20 0 GCADMN C[C@H](C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573615679 947608545 /nfs/dbraw/zinc/60/85/45/947608545.db2.gz JRIHPNRSXLWFPG-STQMWFEESA-N 0 1 379.428 0.538 20 0 GCADMN C=Cc1ccc(C(=O)NC[C@]2(O)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001573354684 947635727 /nfs/dbraw/zinc/63/57/27/947635727.db2.gz HABOPUNQIGBAED-LJQANCHMSA-N 0 1 392.423 0.671 20 0 GCADMN C[C@@H](C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573618935 947658014 /nfs/dbraw/zinc/65/80/14/947658014.db2.gz UATOAOOYWPRNFH-QWHCGFSZSA-N 0 1 382.432 0.399 20 0 GCADMN C[C@@H](C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)[C@H]1CCC(=O)N1 ZINC001573623577 947688365 /nfs/dbraw/zinc/68/83/65/947688365.db2.gz GRNIAYKOLDQFTI-BXUZGUMPSA-N 0 1 384.444 0.001 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCCC1 ZINC001573624818 947695910 /nfs/dbraw/zinc/69/59/10/947695910.db2.gz MGFAGOPTTOTCTQ-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573624818 947695918 /nfs/dbraw/zinc/69/59/18/947695918.db2.gz MGFAGOPTTOTCTQ-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCCC1 ZINC001573625234 947698815 /nfs/dbraw/zinc/69/88/15/947698815.db2.gz OOYJGUIDEHYFNB-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](C(=O)N1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573627520 947726135 /nfs/dbraw/zinc/72/61/35/947726135.db2.gz CYDIQSICOONENC-CHWSQXEVSA-N 0 1 382.432 0.329 20 0 GCADMN C/C(=C\C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1)C1CC1 ZINC001573364929 947727942 /nfs/dbraw/zinc/72/79/42/947727942.db2.gz RWUJKQNPVRBDJY-JLHYYAGUSA-N 0 1 383.456 0.805 20 0 GCADMN CC(=O)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001573367196 947756347 /nfs/dbraw/zinc/75/63/47/947756347.db2.gz AMINVUOLTSZHPZ-OKILXGFUSA-N 0 1 384.444 0.986 20 0 GCADMN C[C@H](C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573630009 947786436 /nfs/dbraw/zinc/78/64/36/947786436.db2.gz PZWDUHWWLFZKFF-NXEZZACHSA-N 0 1 384.366 0.928 20 0 GCADMN CC(=O)CCCC(=O)N[C@@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001573373150 947791451 /nfs/dbraw/zinc/79/14/51/947791451.db2.gz BCEMODXKZMZUGR-CYBMUJFWSA-N 0 1 384.444 0.891 20 0 GCADMN CC(=O)CCCC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001573373692 947797010 /nfs/dbraw/zinc/79/70/10/947797010.db2.gz KHIJIAJWUPSMDL-JSGCOSHPSA-N 0 1 386.460 0.734 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573374710 947813832 /nfs/dbraw/zinc/81/38/32/947813832.db2.gz PIQMOBDUMCBXRY-TZMCWYRMSA-N 0 1 386.460 0.877 20 0 GCADMN CC(=O)CCCC(=O)NC1(CNc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001573375282 947817733 /nfs/dbraw/zinc/81/77/33/947817733.db2.gz NMOYLTDTJIBHIS-UHFFFAOYSA-N 0 1 387.444 0.520 20 0 GCADMN CC(=O)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(c1ccnc(-c3nn[nH]n3)n1)C2 ZINC001573375553 947820951 /nfs/dbraw/zinc/82/09/51/947820951.db2.gz OEWMOSQRULTRDQ-IHRRRGAJSA-N 0 1 384.444 0.890 20 0 GCADMN C[C@H](C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(C)(C)C ZINC001573637728 947822193 /nfs/dbraw/zinc/82/21/93/947822193.db2.gz OINJLGJAPMDMRG-OLZOCXBDSA-N 0 1 388.476 0.790 20 0 GCADMN CC(=O)CCCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001573375847 947825285 /nfs/dbraw/zinc/82/52/85/947825285.db2.gz QPFDAWFPRGZXHL-STQMWFEESA-N 0 1 384.444 0.677 20 0 GCADMN CC(=O)CCCC(=O)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573376410 947836206 /nfs/dbraw/zinc/83/62/06/947836206.db2.gz ZTKVTDVXLZZLLJ-ZIAGYGMSSA-N 0 1 384.444 0.843 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001573638363 947838123 /nfs/dbraw/zinc/83/81/23/947838123.db2.gz LMTHWFWRIHXBIP-GXTWGEPZSA-N 0 1 381.444 0.624 20 0 GCADMN CC(=O)CCCC(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573377714 947851055 /nfs/dbraw/zinc/85/10/55/947851055.db2.gz RBAJPNYTIFLHEE-TZMCWYRMSA-N 0 1 386.460 0.734 20 0 GCADMN C[C@@H](C(=O)N1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCCCC1 ZINC001573640672 947854267 /nfs/dbraw/zinc/85/42/67/947854267.db2.gz JJMQBBYUWZGLCT-AWEZNQCLSA-N 0 1 385.476 0.570 20 0 GCADMN CC(=O)CCCC(=O)NC[C@]1(O)CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573380553 947860475 /nfs/dbraw/zinc/86/04/75/947860475.db2.gz FOFZYEISMPKJIY-LJQANCHMSA-N 0 1 386.456 0.679 20 0 GCADMN CC(=O)CCCC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001573381115 947868454 /nfs/dbraw/zinc/86/84/54/947868454.db2.gz OCVFJCGYYMGNJN-QGZVFWFLSA-N 0 1 388.432 0.128 20 0 GCADMN C[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(C)(F)F ZINC001573646195 947873439 /nfs/dbraw/zinc/87/34/39/947873439.db2.gz GONYGMZIOSNXOH-OUAUKWLOSA-N 0 1 378.387 0.985 20 0 GCADMN C[C@H](C(=O)N1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)n1cccn1 ZINC001573646242 947873675 /nfs/dbraw/zinc/87/36/75/947873675.db2.gz ISUBZZPBUVHMKK-FRRDWIJNSA-N 0 1 380.416 0.152 20 0 GCADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573647218 947886317 /nfs/dbraw/zinc/88/63/17/947886317.db2.gz FAFSGVRNLSUFKL-MBNYWOFBSA-N 0 1 379.428 0.536 20 0 GCADMN CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)CC1 ZINC001602744017 971438911 /nfs/dbraw/zinc/43/89/11/971438911.db2.gz CZWLFJNSPTXRIA-LSDHHAIUSA-N 0 1 391.472 0.037 20 0 GCADMN CC(=O)N(C)CC(=O)N(CCN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)C ZINC001573387783 947913571 /nfs/dbraw/zinc/91/35/71/947913571.db2.gz DGXWZVJRWRDQJL-UHFFFAOYSA-N 0 1 388.476 0.722 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573388640 947921258 /nfs/dbraw/zinc/92/12/58/947921258.db2.gz NFYLWQVLPDIJOX-WCQYABFASA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573388640 947921268 /nfs/dbraw/zinc/92/12/68/947921268.db2.gz NFYLWQVLPDIJOX-WCQYABFASA-N 0 1 391.501 0.591 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573389112 947924496 /nfs/dbraw/zinc/92/44/96/947924496.db2.gz QGIASEWYGVSYPC-CQSZACIVSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573389112 947924498 /nfs/dbraw/zinc/92/44/98/947924498.db2.gz QGIASEWYGVSYPC-CQSZACIVSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573392071 947940548 /nfs/dbraw/zinc/94/05/48/947940548.db2.gz QTFWEQLOAJLAQR-LBPRGKRZSA-N 0 1 377.474 0.487 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573392071 947940552 /nfs/dbraw/zinc/94/05/52/947940552.db2.gz QTFWEQLOAJLAQR-LBPRGKRZSA-N 0 1 377.474 0.487 20 0 GCADMN C[C@@H](C(=O)NC(C)(C)C)N1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573652939 947949116 /nfs/dbraw/zinc/94/91/16/947949116.db2.gz IGSGOJOIXQZERF-NSHDSACASA-N 0 1 388.476 0.692 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573392663 947950883 /nfs/dbraw/zinc/95/08/83/947950883.db2.gz DIDCGOPCIGDHJV-CYBMUJFWSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573392663 947950888 /nfs/dbraw/zinc/95/08/88/947950888.db2.gz DIDCGOPCIGDHJV-CYBMUJFWSA-N 0 1 391.501 0.829 20 0 GCADMN CC(=O)N(C)CC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573392833 947952860 /nfs/dbraw/zinc/95/28/60/947952860.db2.gz GCUNGSLRQFOPNW-CALCHBBNSA-N 0 1 383.456 0.520 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H](CN(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573393430 947957597 /nfs/dbraw/zinc/95/75/97/947957597.db2.gz MKWSZMBPJVKLHN-AWEZNQCLSA-N 0 1 386.460 0.333 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@](C)(CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573393449 947958313 /nfs/dbraw/zinc/95/83/13/947958313.db2.gz NCDWMDPCYQUKQP-SFHVURJKSA-N 0 1 386.460 0.121 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573393946 947961187 /nfs/dbraw/zinc/96/11/87/947961187.db2.gz RDUXGICUDUVDKT-CQSZACIVSA-N 0 1 386.460 0.415 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)[C@H]1C ZINC001573394433 947964507 /nfs/dbraw/zinc/96/45/07/947964507.db2.gz UDRPUHONTBOQMF-ZWNOBZJWSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)[C@H]1C ZINC001573394433 947964511 /nfs/dbraw/zinc/96/45/11/947964511.db2.gz UDRPUHONTBOQMF-ZWNOBZJWSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@H](C(=O)N[C@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573654656 947967357 /nfs/dbraw/zinc/96/73/57/947967357.db2.gz SESGCTKQBQYEIO-XLKFXECMSA-N 0 1 384.366 0.974 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573395319 947970863 /nfs/dbraw/zinc/97/08/63/947970863.db2.gz YXEHSHZILQOVOE-UHFFFAOYSA-N 0 1 391.501 0.877 20 0 GCADMN CC(=O)N(C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573395319 947970870 /nfs/dbraw/zinc/97/08/70/947970870.db2.gz YXEHSHZILQOVOE-UHFFFAOYSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](C(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1)n1cnc(-c2nn[nH]n2)n1 ZINC001573654850 947971825 /nfs/dbraw/zinc/97/18/25/947971825.db2.gz UAUXVZTUDBTJBB-QLJPJBMISA-N 0 1 390.835 0.783 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573398586 947985061 /nfs/dbraw/zinc/98/50/61/947985061.db2.gz NMWXJDYRGYCYIN-QWRGUYRKSA-N 0 1 379.490 0.779 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573398586 947985063 /nfs/dbraw/zinc/98/50/63/947985063.db2.gz NMWXJDYRGYCYIN-QWRGUYRKSA-N 0 1 379.490 0.779 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@]1(C)CCN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573399062 947988102 /nfs/dbraw/zinc/98/81/02/947988102.db2.gz SMZDWVFBKRRKJH-SFHVURJKSA-N 0 1 389.435 0.565 20 0 GCADMN C[C@@H](C(=O)NC1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573656809 947991694 /nfs/dbraw/zinc/99/16/94/947991694.db2.gz IJBKMQTYDAFJEW-LBPRGKRZSA-N 0 1 382.432 0.590 20 0 GCADMN Cc1onc(CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1-c1nnn[n-]1 ZINC000826343598 947992604 /nfs/dbraw/zinc/99/26/04/947992604.db2.gz HJSSYFOTCNMHSN-CYBMUJFWSA-N 0 1 375.433 0.419 20 0 GCADMN Cc1onc(CC(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)c1-c1nn[n-]n1 ZINC000826343598 947992608 /nfs/dbraw/zinc/99/26/08/947992608.db2.gz HJSSYFOTCNMHSN-CYBMUJFWSA-N 0 1 375.433 0.419 20 0 GCADMN Cc1onc(CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826343597 947992632 /nfs/dbraw/zinc/99/26/32/947992632.db2.gz HJNUYDDXXVOEQT-UHFFFAOYSA-N 0 1 393.448 0.438 20 0 GCADMN Cc1onc(CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826343597 947992638 /nfs/dbraw/zinc/99/26/38/947992638.db2.gz HJNUYDDXXVOEQT-UHFFFAOYSA-N 0 1 393.448 0.438 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1(C)CCN(c2ccncc2-c2nn[nH]n2)CC1 ZINC001573401300 947995465 /nfs/dbraw/zinc/99/54/65/947995465.db2.gz AXAWVHVHOCJAFK-UHFFFAOYSA-N 0 1 386.460 0.463 20 0 GCADMN Cc1onc(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1-c1nnn[n-]1 ZINC000826343850 947997878 /nfs/dbraw/zinc/99/78/78/947997878.db2.gz ORMZMYXMMHYSEG-UHFFFAOYSA-N 0 1 389.460 0.809 20 0 GCADMN Cc1onc(CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1-c1nn[n-]n1 ZINC000826343850 947997886 /nfs/dbraw/zinc/99/78/86/947997886.db2.gz ORMZMYXMMHYSEG-UHFFFAOYSA-N 0 1 389.460 0.809 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1CCC[C@H]1CNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573402809 948007224 /nfs/dbraw/zinc/00/72/24/948007224.db2.gz IULBZWLZEWBQRZ-DZGCQCFKSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573403046 948009053 /nfs/dbraw/zinc/00/90/53/948009053.db2.gz KTFYIRXRUSNIIM-UKRRQHHQSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](C(=O)NC1CC1)N1CCC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573662329 948025200 /nfs/dbraw/zinc/02/52/00/948025200.db2.gz BMVFHUBVDNRPGT-VXGBXAGGSA-N 0 1 386.460 0.304 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573404665 948030743 /nfs/dbraw/zinc/03/07/43/948030743.db2.gz IZAAWHNSNVBVMN-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573404665 948030752 /nfs/dbraw/zinc/03/07/52/948030752.db2.gz IZAAWHNSNVBVMN-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573404665 948030759 /nfs/dbraw/zinc/03/07/59/948030759.db2.gz IZAAWHNSNVBVMN-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573404665 948030771 /nfs/dbraw/zinc/03/07/71/948030771.db2.gz IZAAWHNSNVBVMN-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN C[C@@H](C(=O)N[C@@]1(CO)CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001573663327 948034117 /nfs/dbraw/zinc/03/41/17/948034117.db2.gz LKPODGHGPLUDLS-XIKOKIGWSA-N 0 1 386.460 0.540 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1 ZINC001573404914 948034569 /nfs/dbraw/zinc/03/45/69/948034569.db2.gz KGVOSIVBSCBIHD-UHFFFAOYSA-N 0 1 377.474 0.535 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1 ZINC001573404914 948034575 /nfs/dbraw/zinc/03/45/75/948034575.db2.gz KGVOSIVBSCBIHD-UHFFFAOYSA-N 0 1 377.474 0.535 20 0 GCADMN Cc1onc(CC(=O)NC2CC[NH+](CCOC(C)C)CC2)c1-c1nnn[n-]1 ZINC000826346361 948038933 /nfs/dbraw/zinc/03/89/33/948038933.db2.gz KVLZXSRYJNKRCL-UHFFFAOYSA-N 0 1 377.449 0.711 20 0 GCADMN Cc1onc(CC(=O)NC2CC[NH+](CCOC(C)C)CC2)c1-c1nn[n-]n1 ZINC000826346361 948038941 /nfs/dbraw/zinc/03/89/41/948038941.db2.gz KVLZXSRYJNKRCL-UHFFFAOYSA-N 0 1 377.449 0.711 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573663819 948040629 /nfs/dbraw/zinc/04/06/29/948040629.db2.gz AJVZUKJQGVLOQM-ZFWWWQNUSA-N 0 1 381.444 0.800 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573405348 948041460 /nfs/dbraw/zinc/04/14/60/948041460.db2.gz PNNLLBPDGKPKEO-ZDUSSCGKSA-N 0 1 391.501 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573405348 948041467 /nfs/dbraw/zinc/04/14/67/948041467.db2.gz PNNLLBPDGKPKEO-ZDUSSCGKSA-N 0 1 391.501 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573405348 948041474 /nfs/dbraw/zinc/04/14/74/948041474.db2.gz PNNLLBPDGKPKEO-ZDUSSCGKSA-N 0 1 391.501 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573405348 948041481 /nfs/dbraw/zinc/04/14/81/948041481.db2.gz PNNLLBPDGKPKEO-ZDUSSCGKSA-N 0 1 391.501 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573405719 948046063 /nfs/dbraw/zinc/04/60/63/948046063.db2.gz UZGLADYWLZGKSL-CQSZACIVSA-N 0 1 389.435 0.422 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573405719 948046073 /nfs/dbraw/zinc/04/60/73/948046073.db2.gz UZGLADYWLZGKSL-CQSZACIVSA-N 0 1 389.435 0.422 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573405719 948046083 /nfs/dbraw/zinc/04/60/83/948046083.db2.gz UZGLADYWLZGKSL-CQSZACIVSA-N 0 1 389.435 0.422 20 0 GCADMN CC(=O)N(C)CC(=O)NCC[C@@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573405705 948046371 /nfs/dbraw/zinc/04/63/71/948046371.db2.gz USZCMYMSJODQJI-SSDOTTSWSA-N 0 1 386.869 0.762 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573405717 948046394 /nfs/dbraw/zinc/04/63/94/948046394.db2.gz UZGLADYWLZGKSL-AWEZNQCLSA-N 0 1 389.435 0.422 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573405717 948046399 /nfs/dbraw/zinc/04/63/99/948046399.db2.gz UZGLADYWLZGKSL-AWEZNQCLSA-N 0 1 389.435 0.422 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[n-]n3)c2)C1 ZINC001573405717 948046406 /nfs/dbraw/zinc/04/64/06/948046406.db2.gz UZGLADYWLZGKSL-AWEZNQCLSA-N 0 1 389.435 0.422 20 0 GCADMN C[C@@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573664146 948048732 /nfs/dbraw/zinc/04/87/32/948048732.db2.gz CHZNYXKIMRWYST-HIFPTAJRSA-N 0 1 382.432 0.376 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573405949 948048767 /nfs/dbraw/zinc/04/87/67/948048767.db2.gz ZCEQOPUEIMICDV-HNNXBMFYSA-N 0 1 389.435 0.565 20 0 GCADMN Cc1onc(CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347278 948051083 /nfs/dbraw/zinc/05/10/83/948051083.db2.gz LPPYTKZODXKOKH-LJQANCHMSA-N 0 1 397.439 0.459 20 0 GCADMN Cc1onc(CC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1-c1nn[n-]n1 ZINC000826347278 948051089 /nfs/dbraw/zinc/05/10/89/948051089.db2.gz LPPYTKZODXKOKH-LJQANCHMSA-N 0 1 397.439 0.459 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001573406551 948052929 /nfs/dbraw/zinc/05/29/29/948052929.db2.gz KIYWHCGUHHEUSG-ZACQAIPSSA-N 0 1 383.456 0.567 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cncn1 ZINC001573664525 948054826 /nfs/dbraw/zinc/05/48/26/948054826.db2.gz FJXFUMINJPBFDO-CZUORRHYSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cncn1 ZINC001573664522 948055077 /nfs/dbraw/zinc/05/50/77/948055077.db2.gz FJXFUMINJPBFDO-BBRMVZONSA-N 0 1 381.444 0.800 20 0 GCADMN Cc1onc(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1-c1nnn[n-]1 ZINC000826347582 948056199 /nfs/dbraw/zinc/05/61/99/948056199.db2.gz WAUQVQXWNRCEGM-UHFFFAOYSA-N 0 1 389.460 0.857 20 0 GCADMN Cc1onc(CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1-c1nn[n-]n1 ZINC000826347582 948056207 /nfs/dbraw/zinc/05/62/07/948056207.db2.gz WAUQVQXWNRCEGM-UHFFFAOYSA-N 0 1 389.460 0.857 20 0 GCADMN C[C@H](C(=O)NC1CC1)N(C)C[C@H]1CCCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573664457 948056334 /nfs/dbraw/zinc/05/63/34/948056334.db2.gz VAAHXJUNKBUDDB-DGCLKSJQSA-N 0 1 386.460 0.398 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1C ZINC001573406950 948060165 /nfs/dbraw/zinc/06/01/65/948060165.db2.gz XHAGPYNPDMEZHO-BDJLRTHQSA-N 0 1 389.435 0.421 20 0 GCADMN Cc1onc(CC(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1-c1nnn[n-]1 ZINC000826348197 948069144 /nfs/dbraw/zinc/06/91/44/948069144.db2.gz AAXXAQUIPJOVQO-UHFFFAOYSA-N 0 1 398.427 0.636 20 0 GCADMN Cc1onc(CC(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)c1-c1nn[n-]n1 ZINC000826348197 948069153 /nfs/dbraw/zinc/06/91/53/948069153.db2.gz AAXXAQUIPJOVQO-UHFFFAOYSA-N 0 1 398.427 0.636 20 0 GCADMN C[C@H](C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573665582 948074117 /nfs/dbraw/zinc/07/41/17/948074117.db2.gz MAWJBRCBOINJGH-IYXRBSQSSA-N 0 1 381.444 0.981 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573409643 948074328 /nfs/dbraw/zinc/07/43/28/948074328.db2.gz UVIRIHPAXSJLCR-HALDLXJZSA-N 0 1 387.419 0.031 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573665841 948078041 /nfs/dbraw/zinc/07/80/41/948078041.db2.gz NQASOJXFGSQXAZ-OLZOCXBDSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573666477 948086393 /nfs/dbraw/zinc/08/63/93/948086393.db2.gz TYUWXORATLBPPF-QWHCGFSZSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573666474 948087575 /nfs/dbraw/zinc/08/75/75/948087575.db2.gz TYUWXORATLBPPF-OLZOCXBDSA-N 0 1 382.432 0.590 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)CCNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573415579 948112543 /nfs/dbraw/zinc/11/25/43/948112543.db2.gz YKHPMPALQXTHNP-UHFFFAOYSA-N 0 1 384.853 0.325 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573419655 948125102 /nfs/dbraw/zinc/12/51/02/948125102.db2.gz OMXZYDZRINLOMC-JTQLQIEISA-N 0 1 377.474 0.343 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573419655 948125105 /nfs/dbraw/zinc/12/51/05/948125105.db2.gz OMXZYDZRINLOMC-JTQLQIEISA-N 0 1 377.474 0.343 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C)C[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573419831 948128489 /nfs/dbraw/zinc/12/84/89/948128489.db2.gz TYROTJUTFSUZBJ-NWDGAFQWSA-N 0 1 386.460 0.166 20 0 GCADMN Cn1cc(CNC(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000826361292 948129258 /nfs/dbraw/zinc/12/92/58/948129258.db2.gz RXFISFNQZSBZLR-UHFFFAOYSA-N 0 1 396.459 0.413 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@H]2CCCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573420967 948136854 /nfs/dbraw/zinc/13/68/54/948136854.db2.gz ANHILVNLCQUKJE-CQSZACIVSA-N 0 1 384.444 0.133 20 0 GCADMN CC(=O)N1CC(C(=O)NCC2CCN(c3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001573421496 948138471 /nfs/dbraw/zinc/13/84/71/948138471.db2.gz GOIKNGCZGCZWOI-UHFFFAOYSA-N 0 1 384.444 0.073 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C(C)C)C1 ZINC001573422391 948141438 /nfs/dbraw/zinc/14/14/38/948141438.db2.gz KUGJEHGJQSQWJY-MRXNPFEDSA-N 0 1 386.460 0.023 20 0 GCADMN C[C@@H](C(=O)NCC(=O)c1ccc(Cl)cc1F)n1cnc(-c2nn[nH]n2)n1 ZINC001573677777 948142028 /nfs/dbraw/zinc/14/20/28/948142028.db2.gz DXMQMMWYROHLKT-ZETCQYMHSA-N 0 1 378.755 0.811 20 0 GCADMN C[C@H](C(=O)NC[C@H](CO)NCc1ccc(-c2nn[nH]n2)c(F)c1)n1cccn1 ZINC001573677913 948143648 /nfs/dbraw/zinc/14/36/48/948143648.db2.gz BGUDYNAKNVGSIT-DGCLKSJQSA-N 0 1 388.407 0.030 20 0 GCADMN CC(=O)N1CC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573424207 948147292 /nfs/dbraw/zinc/14/72/92/948147292.db2.gz SZSGKLUHODPJCZ-SNVBAGLBSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)N1CC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573424207 948147298 /nfs/dbraw/zinc/14/72/98/948147298.db2.gz SZSGKLUHODPJCZ-SNVBAGLBSA-N 0 1 377.474 0.391 20 0 GCADMN CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001573679677 948166273 /nfs/dbraw/zinc/16/62/73/948166273.db2.gz JFKFJSHUZGHWGV-LRDDRELGSA-N 0 1 383.460 0.774 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573428794 948166745 /nfs/dbraw/zinc/16/67/45/948166745.db2.gz CAHMRYUKABXRRS-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC001573428794 948166747 /nfs/dbraw/zinc/16/67/47/948166747.db2.gz CAHMRYUKABXRRS-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573428794 948166749 /nfs/dbraw/zinc/16/67/49/948166749.db2.gz CAHMRYUKABXRRS-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC001573428794 948166754 /nfs/dbraw/zinc/16/67/54/948166754.db2.gz CAHMRYUKABXRRS-GASCZTMLSA-N 0 1 383.460 0.321 20 0 GCADMN CC(=O)N1CCC(C(=O)N[C@@H](C)CCNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573428814 948168126 /nfs/dbraw/zinc/16/81/26/948168126.db2.gz CIZLLMKGGHPIFD-LBPRGKRZSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CCC(C(=O)N[C@@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573430655 948177645 /nfs/dbraw/zinc/17/76/45/948177645.db2.gz SPCALMZBLZHNBK-LBPRGKRZSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@H](C(=O)NC[C@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cnn(C)c1 ZINC001573680571 948181596 /nfs/dbraw/zinc/18/15/96/948181596.db2.gz ONAPPEUURXOGED-ZBEGNZNMSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](Nc1ccncc1-c1nn[nH]n1)C1CC1)c1cnn(C)c1 ZINC001573680567 948182001 /nfs/dbraw/zinc/18/20/01/948182001.db2.gz ONAPPEUURXOGED-BDJLRTHQSA-N 0 1 381.444 0.528 20 0 GCADMN NC(=O)CC1CCN([C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826391141 948198057 /nfs/dbraw/zinc/19/80/57/948198057.db2.gz XTVMFELQNIEIPY-MRXNPFEDSA-N 0 1 383.456 0.950 20 0 GCADMN CC(C)[C@H](CNC(=O)[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573681384 948200511 /nfs/dbraw/zinc/20/05/11/948200511.db2.gz VESUNGVANIPMLD-YPMHNXCESA-N 0 1 384.448 0.169 20 0 GCADMN C[C@@H](C(=O)NCC(=O)N1CCCCc2ccccc21)n1cnc(-c2nn[nH]n2)n1 ZINC001573681352 948200766 /nfs/dbraw/zinc/20/07/66/948200766.db2.gz WGWAINCRQRAYJB-LBPRGKRZSA-N 0 1 395.427 0.505 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573434177 948209767 /nfs/dbraw/zinc/20/97/67/948209767.db2.gz ORFCQTYWZCTVCJ-KPZWWZAWSA-N 0 1 386.460 0.106 20 0 GCADMN O=C([C@@H]1[C@H]2CCCO[C@H]21)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826398507 948212921 /nfs/dbraw/zinc/21/29/21/948212921.db2.gz YBVBTRWXPKUVOZ-YRGRVCCFSA-N 0 1 385.428 0.806 20 0 GCADMN O=C([C@@H]1[C@@H]2CCCO[C@H]12)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826398506 948213599 /nfs/dbraw/zinc/21/35/99/948213599.db2.gz YBVBTRWXPKUVOZ-SCRDCRAPSA-N 0 1 385.428 0.806 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@H](C)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573438432 948235432 /nfs/dbraw/zinc/23/54/32/948235432.db2.gz AKNODDYPEMJLTN-OCCSQVGLSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573691912 948249835 /nfs/dbraw/zinc/24/98/35/948249835.db2.gz LBBJXYLSNDIKEY-JQWIXIFHSA-N 0 1 390.473 0.032 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573691912 948249845 /nfs/dbraw/zinc/24/98/45/948249845.db2.gz LBBJXYLSNDIKEY-JQWIXIFHSA-N 0 1 390.473 0.032 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)C1 ZINC001573439718 948252168 /nfs/dbraw/zinc/25/21/68/948252168.db2.gz QDZXGHRCSXCVSH-HACGYAERSA-N 0 1 398.471 0.201 20 0 GCADMN C[C@H](C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)S(C)(=O)=O ZINC001573692033 948253658 /nfs/dbraw/zinc/25/36/58/948253658.db2.gz KXMRDHVHAAXTRU-SECBINFHSA-N 0 1 384.487 0.100 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N(C)C[C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573439867 948253783 /nfs/dbraw/zinc/25/37/83/948253783.db2.gz VGYJWISPXVHOLF-GXTWGEPZSA-N 0 1 386.460 0.201 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)n1cccn1 ZINC001573692192 948257811 /nfs/dbraw/zinc/25/78/11/948257811.db2.gz MXHJPUGUYOWLGH-ZDUSSCGKSA-N 0 1 381.444 0.982 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1)C(C)(C)C ZINC001573692416 948263969 /nfs/dbraw/zinc/26/39/69/948263969.db2.gz PLZYEAOIOPLZOT-GFCCVEGCSA-N 0 1 388.476 0.838 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000826424817 948271528 /nfs/dbraw/zinc/27/15/28/948271528.db2.gz DYHXKUJGZXUGMW-SECBINFHSA-N 0 1 396.337 0.537 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000826424863 948272075 /nfs/dbraw/zinc/27/20/75/948272075.db2.gz GZOBFHPIOYPOLO-CABZTGNLSA-N 0 1 376.327 0.071 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573442598 948295484 /nfs/dbraw/zinc/29/54/84/948295484.db2.gz IYBHFRSSZOIYLF-AAEUAGOBSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573442598 948295490 /nfs/dbraw/zinc/29/54/90/948295490.db2.gz IYBHFRSSZOIYLF-AAEUAGOBSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)c1ccco1 ZINC001573695897 948312037 /nfs/dbraw/zinc/31/20/37/948312037.db2.gz YQWUAHJTMPNPSH-FZMZJTMJSA-N 0 1 388.403 0.969 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573444138 948313058 /nfs/dbraw/zinc/31/30/58/948313058.db2.gz RRCKFCBPZSSWSQ-DGCLKSJQSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573444138 948313066 /nfs/dbraw/zinc/31/30/66/948313066.db2.gz RRCKFCBPZSSWSQ-DGCLKSJQSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NCC[C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573445255 948322608 /nfs/dbraw/zinc/32/26/08/948322608.db2.gz ZBKNLOTYTWOMNX-GXTWGEPZSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CN(C)c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573446277 948326335 /nfs/dbraw/zinc/32/63/35/948326335.db2.gz CMCOWAGSVNBMHY-IUODEOHRSA-N 0 1 386.460 0.522 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001573446406 948329919 /nfs/dbraw/zinc/32/99/19/948329919.db2.gz DVDPTLQCBHLDRK-MRXNPFEDSA-N 0 1 386.460 0.557 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573446676 948334310 /nfs/dbraw/zinc/33/43/10/948334310.db2.gz MEOOHZCXUNCDHD-BDJLRTHQSA-N 0 1 386.460 0.310 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NCC1(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573447116 948339999 /nfs/dbraw/zinc/33/99/99/948339999.db2.gz VSXOYWNIENEEPM-OAHLLOKOSA-N 0 1 384.444 0.064 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573704091 948363816 /nfs/dbraw/zinc/36/38/16/948363816.db2.gz OVMAULRVFSKQPH-STQMWFEESA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573706787 948423984 /nfs/dbraw/zinc/42/39/84/948423984.db2.gz LFBFGFGUAVAATE-GXTWGEPZSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C1CCCC1 ZINC001573706796 948424924 /nfs/dbraw/zinc/42/49/24/948424924.db2.gz LFBFGFGUAVAATE-TZMCWYRMSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573706929 948427137 /nfs/dbraw/zinc/42/71/37/948427137.db2.gz MOPJASSMLLRVOB-GFCCVEGCSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(F)(F)F ZINC001573708257 948446932 /nfs/dbraw/zinc/44/69/32/948446932.db2.gz SHKSOTFALUTQQF-BDAKNGLRSA-N 0 1 386.338 0.177 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCC(=O)N1 ZINC001573708454 948449542 /nfs/dbraw/zinc/44/95/42/948449542.db2.gz UUWXSOHHETVXER-WBMJQRKESA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573708851 948460422 /nfs/dbraw/zinc/46/04/22/948460422.db2.gz XWCHRFYMTUDFKG-RYUDHWBXSA-N 0 1 384.400 0.375 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573708944 948463389 /nfs/dbraw/zinc/46/33/89/948463389.db2.gz ZCWQCHTXCHKIKC-STQMWFEESA-N 0 1 383.416 0.041 20 0 GCADMN C[C@@H](C(=O)NCCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1 ZINC001573715584 948492422 /nfs/dbraw/zinc/49/24/22/948492422.db2.gz ZNXMRMGQOAGRKP-CQSZACIVSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@H](C(=O)NCCCN1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)C1CC1 ZINC001573715583 948492980 /nfs/dbraw/zinc/49/29/80/948492980.db2.gz ZNXMRMGQOAGRKP-AWEZNQCLSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@H](C(=O)NCCOCCN(C)c1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCO1 ZINC001573715912 948495223 /nfs/dbraw/zinc/49/52/23/948495223.db2.gz ARXLWDVWEJGIGM-QWHCGFSZSA-N 0 1 390.448 0.041 20 0 GCADMN C[C@@H](C(=O)NCCc1ccc2c(c1)OCCCO2)n1cnc(-c2nn[nH]n2)n1 ZINC001573717319 948506661 /nfs/dbraw/zinc/50/66/61/948506661.db2.gz LFFCELPFYODCTO-NSHDSACASA-N 0 1 384.400 0.539 20 0 GCADMN C[C@@H](C(=O)NCCNCc1cc(-c2nn[nH]n2)ccc1F)[C@H]1CCC(=O)N1 ZINC001573718168 948516170 /nfs/dbraw/zinc/51/61/70/948516170.db2.gz ICWMKZCTVRWEIC-QMTHXVAHSA-N 0 1 375.408 0.126 20 0 GCADMN C[C@@H](C(=O)NCCN(C)c1ccncc1-c1nn[nH]n1)N(C)CC(F)(F)F ZINC001573721314 948539068 /nfs/dbraw/zinc/53/90/68/948539068.db2.gz XAXKYIAZJGXXRD-JTQLQIEISA-N 0 1 386.382 0.697 20 0 GCADMN C[C@H](C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C(C)(C)C ZINC001573721589 948541104 /nfs/dbraw/zinc/54/11/04/948541104.db2.gz YVZWLBYLTWCZIJ-CYBMUJFWSA-N 0 1 387.492 0.577 20 0 GCADMN C[C@@H](C(=O)NCc1cc(Br)ccn1)n1cnc(-c2nn[nH]n2)n1 ZINC001573727675 948555932 /nfs/dbraw/zinc/55/59/32/948555932.db2.gz BISRNEKUXJJPBA-ZETCQYMHSA-N 0 1 378.194 0.493 20 0 GCADMN COc1cccc(C[C@@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)cn3)CCN2)c1 ZINC001557784621 948557367 /nfs/dbraw/zinc/55/73/67/948557367.db2.gz OWQJJWNIOZYUNV-OAHLLOKOSA-N 0 1 379.424 0.927 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573729540 948570131 /nfs/dbraw/zinc/57/01/31/948570131.db2.gz UPLFAYJCUPJKHE-BZPMIXESSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H](C)S(C)(=O)=O ZINC001573740985 948646685 /nfs/dbraw/zinc/64/66/85/948646685.db2.gz VXAAKSUKDXHCHX-NXEZZACHSA-N 0 1 384.437 0.033 20 0 GCADMN C[C@H](CNCc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573740986 948647033 /nfs/dbraw/zinc/64/70/33/948647033.db2.gz VXAAKSUKDXHCHX-ZJUUUORDSA-N 0 1 384.437 0.033 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCCC1 ZINC001573747410 948691677 /nfs/dbraw/zinc/69/16/77/948691677.db2.gz OXAQSZKWTSTGPM-MCIONIFRSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574914627 948751233 /nfs/dbraw/zinc/75/12/33/948751233.db2.gz LNJQZYUJSSMDOH-SNVBAGLBSA-N 0 1 388.382 0.906 20 0 GCADMN C[C@H](CNC(=O)CCc1c[nH]nn1)N(C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574914484 948751420 /nfs/dbraw/zinc/75/14/20/948751420.db2.gz KPGINSHHMDGMDC-LLVKDONJSA-N 0 1 387.423 0.693 20 0 GCADMN C[C@@H](CNC(=O)CCc1c[nH]nn1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574915450 948767759 /nfs/dbraw/zinc/76/77/59/948767759.db2.gz UEWKGMILTXQBSX-VIFPVBQESA-N 0 1 390.839 0.830 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn[nH]1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574915450 948767770 /nfs/dbraw/zinc/76/77/70/948767770.db2.gz UEWKGMILTXQBSX-VIFPVBQESA-N 0 1 390.839 0.830 20 0 GCADMN C[C@@H](C(N)=O)N1CCC2(C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573755523 948770059 /nfs/dbraw/zinc/77/00/59/948770059.db2.gz RFJWVKHBBVJQKH-RYUDHWBXSA-N 0 1 386.460 0.385 20 0 GCADMN C[C@@H](C(N)=O)N1CC[C@@]2(C1)CCCCN(C(=O)c1c[nH]c(-c3nn[nH]n3)c1)C2 ZINC001573755661 948774942 /nfs/dbraw/zinc/77/49/42/948774942.db2.gz RVTOBYQMKRYVJA-KPZWWZAWSA-N 0 1 386.460 0.387 20 0 GCADMN CC(F)(F)CC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001575224304 948782250 /nfs/dbraw/zinc/78/22/50/948782250.db2.gz MEJCWKAIWUAROK-UWVGGRQHSA-N 0 1 378.387 0.963 20 0 GCADMN C[C@H](CCNc1cnc(-c2nnn[n-]2)cn1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574679464 948782713 /nfs/dbraw/zinc/78/27/13/948782713.db2.gz VUVWVIJDHFJVGZ-GFCCVEGCSA-N 0 1 389.464 0.074 20 0 GCADMN C[C@H](CCNc1cnc(-c2nn[n-]n2)cn1)NC(=O)COC1CC[NH+](C)CC1 ZINC001574679464 948782728 /nfs/dbraw/zinc/78/27/28/948782728.db2.gz VUVWVIJDHFJVGZ-GFCCVEGCSA-N 0 1 389.464 0.074 20 0 GCADMN CC(C)c1cccc(CN[C@H](CO)CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001574420560 948801396 /nfs/dbraw/zinc/80/13/96/948801396.db2.gz YSCMQLMNKXUIMQ-ZDUSSCGKSA-N 0 1 384.444 0.594 20 0 GCADMN CC(C)c1ccsc1C(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574423991 948835428 /nfs/dbraw/zinc/83/54/28/948835428.db2.gz AHYIONMFOCTYFN-JTQLQIEISA-N 0 1 388.457 0.466 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H](C)NC(N)=O ZINC001574684045 948853839 /nfs/dbraw/zinc/85/38/39/948853839.db2.gz AMIICGRDTIOVDU-WDSKDSINSA-N 0 1 387.857 0.340 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574684378 948863620 /nfs/dbraw/zinc/86/36/20/948863620.db2.gz DZHWLTQWTMJMHS-NKWVEPMBSA-N 0 1 384.853 0.562 20 0 GCADMN C[C@H](CNC(=O)CCCn1cncn1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574919253 948873361 /nfs/dbraw/zinc/87/33/61/948873361.db2.gz XJDZBEFZIYTUDO-GFCCVEGCSA-N 0 1 387.423 0.672 20 0 GCADMN CC(C)c1nc(CN2CC[C@H](N(C)C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001574425514 948876725 /nfs/dbraw/zinc/87/67/25/948876725.db2.gz HHINIRBYUMORCO-LBPRGKRZSA-N 0 1 384.448 0.783 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920022 948881256 /nfs/dbraw/zinc/88/12/56/948881256.db2.gz AKANVAIHLSBVMY-LLVKDONJSA-N 0 1 387.423 0.361 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574920023 948883068 /nfs/dbraw/zinc/88/30/68/948883068.db2.gz AKANVAIHLSBVMY-NSHDSACASA-N 0 1 387.423 0.361 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573764369 948891844 /nfs/dbraw/zinc/89/18/44/948891844.db2.gz OEJDCGUXQFAXEH-GOSISDBHSA-N 0 1 386.460 0.280 20 0 GCADMN CC(C)c1nc(CN2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574426574 948892382 /nfs/dbraw/zinc/89/23/82/948892382.db2.gz SHPALZHWPSABAY-LBPRGKRZSA-N 0 1 384.448 0.831 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H](C)CC(N)=O ZINC001574684869 948892526 /nfs/dbraw/zinc/89/25/26/948892526.db2.gz OBGJQOVTUAMCHB-NKWVEPMBSA-N 0 1 386.869 0.795 20 0 GCADMN CC(C)c1ncc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)s1 ZINC001574427399 948904719 /nfs/dbraw/zinc/90/47/19/948904719.db2.gz DXJSPCRUSFKEKI-JTQLQIEISA-N 0 1 385.457 0.985 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCCO1 ZINC001573765343 948905532 /nfs/dbraw/zinc/90/55/32/948905532.db2.gz ZAQNOUIMONUZOB-QWHCGFSZSA-N 0 1 386.460 0.687 20 0 GCADMN CC(F)(F)CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCOCC1 ZINC001575234816 948908176 /nfs/dbraw/zinc/90/81/76/948908176.db2.gz SCKSYJBUKFEJHV-UHFFFAOYSA-N 0 1 381.387 0.806 20 0 GCADMN C[C@@H](CNC(=O)CCc1cnn(C)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574921115 948914451 /nfs/dbraw/zinc/91/44/51/948914451.db2.gz SMVGHQARDUKHAN-LBPRGKRZSA-N 0 1 386.435 0.966 20 0 GCADMN CC(C)c1ncncc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574431743 948923767 /nfs/dbraw/zinc/92/37/67/948923767.db2.gz APHRDZUCSJGYTG-LBPRGKRZSA-N 0 1 379.428 0.924 20 0 GCADMN CC(F)(F)CC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001575235611 948926696 /nfs/dbraw/zinc/92/66/96/948926696.db2.gz WNUFHNKIHPRAJZ-KGLIPLIRSA-N 0 1 380.399 0.963 20 0 GCADMN C[C@H](CNC(=O)CCn1cc(Cl)cn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574923013 948930536 /nfs/dbraw/zinc/93/05/36/948930536.db2.gz BGHQKSVZGPOIBL-JTQLQIEISA-N 0 1 390.839 0.183 20 0 GCADMN CC(F)(F)CCC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001575236996 948941075 /nfs/dbraw/zinc/94/10/75/948941075.db2.gz CHNHFQRGKOHNAX-SNVBAGLBSA-N 0 1 382.375 0.414 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)NC[C@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574433413 948958108 /nfs/dbraw/zinc/95/81/08/948958108.db2.gz MHXJWEIXYVFCIB-NSHDSACASA-N 0 1 384.448 0.768 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433837 948966755 /nfs/dbraw/zinc/96/67/55/948966755.db2.gz SBEYJKWOYXQCLX-LLVKDONJSA-N 0 1 382.432 0.522 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574925996 948980934 /nfs/dbraw/zinc/98/09/34/948980934.db2.gz FZOHEEVWVBFIGV-GFCCVEGCSA-N 0 1 391.501 0.925 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574925996 948980937 /nfs/dbraw/zinc/98/09/37/948980937.db2.gz FZOHEEVWVBFIGV-GFCCVEGCSA-N 0 1 391.501 0.925 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCC1=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574925839 948981210 /nfs/dbraw/zinc/98/12/10/948981210.db2.gz FFHGHUWXJXNQTP-GFCCVEGCSA-N 0 1 389.435 0.613 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCCO1 ZINC001573773566 948985588 /nfs/dbraw/zinc/98/55/88/948985588.db2.gz MAGYZFOCQZRUGF-CHWSQXEVSA-N 0 1 386.460 0.947 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nn2)CC1)[NH+]1CCCCC1 ZINC001573773752 948992691 /nfs/dbraw/zinc/99/26/91/948992691.db2.gz GUUCDWHHYHBKPH-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN C[C@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575243119 948992904 /nfs/dbraw/zinc/99/29/04/948992904.db2.gz NJLNTHPZJLMRBK-JSGCOSHPSA-N 0 1 379.440 0.842 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCCO1 ZINC001573773700 948993560 /nfs/dbraw/zinc/99/35/60/948993560.db2.gz DXWMFZCBPXJUMU-LBPRGKRZSA-N 0 1 386.460 0.735 20 0 GCADMN CC(C)c1nnnn1CC(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574435413 948995739 /nfs/dbraw/zinc/99/57/39/948995739.db2.gz UVULQRUCRBSUKU-LLVKDONJSA-N 0 1 385.436 0.013 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574926353 948997605 /nfs/dbraw/zinc/99/76/05/948997605.db2.gz OHBCOWUIMQLZAO-LBPRGKRZSA-N 0 1 389.435 0.613 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926389 948997738 /nfs/dbraw/zinc/99/77/38/948997738.db2.gz PBYSFEUTEJXQTH-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cncc(-c2nnn[n-]2)n1 ZINC001574926389 948997753 /nfs/dbraw/zinc/99/77/53/948997753.db2.gz PBYSFEUTEJXQTH-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926389 948997765 /nfs/dbraw/zinc/99/77/65/948997765.db2.gz PBYSFEUTEJXQTH-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1cncc(-c2nn[n-]n2)n1 ZINC001574926389 948997780 /nfs/dbraw/zinc/99/77/80/948997780.db2.gz PBYSFEUTEJXQTH-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@H](CCNc1nccnc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCc2n[nH]nc21 ZINC001574691418 949019930 /nfs/dbraw/zinc/01/99/30/949019930.db2.gz XLJJBGDZPZLDIK-NXEZZACHSA-N 0 1 383.420 0.202 20 0 GCADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCCO1 ZINC001573774818 949020753 /nfs/dbraw/zinc/02/07/53/949020753.db2.gz WYHIRKJFOXWJAB-IUODEOHRSA-N 0 1 389.460 0.168 20 0 GCADMN CC(C)c1noc(CNC[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001574440144 949021365 /nfs/dbraw/zinc/02/13/65/949021365.db2.gz OSBBITADFGOHJK-NSHDSACASA-N 0 1 385.432 0.953 20 0 GCADMN C[C@H](NC(=O)C(C)(C)C)C(=O)N(C)CCN(C)c1ccncc1-c1nn[nH]n1 ZINC001575245485 949021699 /nfs/dbraw/zinc/02/16/99/949021699.db2.gz CIHKVZZQASFRQF-LBPRGKRZSA-N 0 1 388.476 0.707 20 0 GCADMN CC(C)c1noc(CNC[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n1 ZINC001574440085 949023259 /nfs/dbraw/zinc/02/32/59/949023259.db2.gz MXWBDJPDCMVLDN-NSHDSACASA-N 0 1 385.432 0.953 20 0 GCADMN CC(C)c1nnsc1C(=O)N[C@H](C)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574440850 949039785 /nfs/dbraw/zinc/03/97/85/949039785.db2.gz WOOOBHFYPNXEAM-DTWKUNHWSA-N 0 1 388.461 0.672 20 0 GCADMN CC(C)[C@H]1C[C@H](C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001574092293 949056587 /nfs/dbraw/zinc/05/65/87/949056587.db2.gz NNWSGKHEFVRJID-CHWSQXEVSA-N 0 1 386.460 0.591 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001575504100 949062654 /nfs/dbraw/zinc/06/26/54/949062654.db2.gz SHFHTBBCUZUVIF-ZYIUAKIQSA-N 0 1 392.423 0.675 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575504494 949071795 /nfs/dbraw/zinc/07/17/95/949071795.db2.gz WCAMPXXGKJFTSF-GFCCVEGCSA-N 0 1 383.416 0.414 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCC1 ZINC001573780208 949080299 /nfs/dbraw/zinc/08/02/99/949080299.db2.gz SNJUWMJDKGRSSD-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001575504709 949082132 /nfs/dbraw/zinc/08/21/32/949082132.db2.gz WOUHYIFKNUYZIO-QWHCGFSZSA-N 0 1 382.428 0.805 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573780219 949083798 /nfs/dbraw/zinc/08/37/98/949083798.db2.gz SWGCZKNZJWCBQX-UHFFFAOYSA-N 0 1 384.366 0.974 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001573780295 949088731 /nfs/dbraw/zinc/08/87/31/949088731.db2.gz VMEHDGRSOWVKRT-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](Oc1cccnc1)C(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001575504785 949089641 /nfs/dbraw/zinc/08/96/41/949089641.db2.gz XVTJIMHEBQLLRA-LBPRGKRZSA-N 0 1 383.416 0.202 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573780429 949095916 /nfs/dbraw/zinc/09/59/16/949095916.db2.gz ZAAFDSQENFBHGB-ZDUSSCGKSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H](CNC(=O)CO[C@@H]1CCOC1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574930241 949106545 /nfs/dbraw/zinc/10/65/45/949106545.db2.gz KEFSLJTZIDBDDK-TZMCWYRMSA-N 0 1 392.435 0.748 20 0 GCADMN C[C@H](C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1)n1cncn1 ZINC001575250322 949109305 /nfs/dbraw/zinc/10/93/05/949109305.db2.gz DRHDUISALRWWMC-WDEREUQCSA-N 0 1 387.473 0.717 20 0 GCADMN CC(C)c1ocnc1C(=O)N1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001574446170 949119596 /nfs/dbraw/zinc/11/95/96/949119596.db2.gz IZCDPUNUHLIJNL-QWRGUYRKSA-N 0 1 383.416 0.763 20 0 GCADMN C[C@H](CNC(=O)COC[C@@H]1CCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574932041 949128280 /nfs/dbraw/zinc/12/82/80/949128280.db2.gz UFFPERWWDDZHAV-DOMZBBRYSA-N 0 1 392.435 0.796 20 0 GCADMN CC(C)c1occc1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001574446387 949129805 /nfs/dbraw/zinc/12/98/05/949129805.db2.gz OAFSQNIRRHVRKS-VXGBXAGGSA-N 0 1 384.400 0.353 20 0 GCADMN CC(C)[C@@H]1C[C@H]1C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001574094311 949131031 /nfs/dbraw/zinc/13/10/31/949131031.db2.gz UWJXEHGWXSIQGN-UONOGXRCSA-N 0 1 385.472 0.741 20 0 GCADMN CC(C)(C(=O)NCCN(c1cncc(-c2nnn[n-]2)n1)C1CC1)[NH+]1CCCC1 ZINC001573782999 949137855 /nfs/dbraw/zinc/13/78/55/949137855.db2.gz ZSJVXJVZTRHOHX-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NCCN(c1cncc(-c2nn[n-]n2)n1)C1CC1)[NH+]1CCCC1 ZINC001573782999 949137863 /nfs/dbraw/zinc/13/78/63/949137863.db2.gz ZSJVXJVZTRHOHX-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932372 949142773 /nfs/dbraw/zinc/14/27/73/949142773.db2.gz YNUJOYQPXHZRIT-RYUDHWBXSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H](CNC(=O)CO[C@H]1CCOC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574932372 949142791 /nfs/dbraw/zinc/14/27/91/949142791.db2.gz YNUJOYQPXHZRIT-RYUDHWBXSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@H](CNC(=O)COc1ccccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574933989 949145985 /nfs/dbraw/zinc/14/59/85/949145985.db2.gz AHGMZKJWKRSLOD-NSHDSACASA-N 0 1 386.391 0.461 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCC1 ZINC001573786843 949149135 /nfs/dbraw/zinc/14/91/35/949149135.db2.gz FRDAXADCHKEHKU-BETUJISGSA-N 0 1 385.476 0.980 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001573786843 949149146 /nfs/dbraw/zinc/14/91/46/949149146.db2.gz FRDAXADCHKEHKU-BETUJISGSA-N 0 1 385.476 0.980 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCC1 ZINC001573786844 949151201 /nfs/dbraw/zinc/15/12/01/949151201.db2.gz FRDAXADCHKEHKU-JOCQHMNTSA-N 0 1 385.476 0.980 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001573786844 949151213 /nfs/dbraw/zinc/15/12/13/949151213.db2.gz FRDAXADCHKEHKU-JOCQHMNTSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574697556 949154928 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/nfs/dbraw/zinc/48/46/28/949484628.db2.gz PUXNKKPYPPGXGX-GOSISDBHSA-N 0 1 383.456 0.805 20 0 GCADMN CC(C)n1nccc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470035 949491063 /nfs/dbraw/zinc/49/10/63/949491063.db2.gz LCHRBPVZDIMSKU-GFCCVEGCSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)(C)[C@H](CNC(=O)CN1CCCC1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573808189 949506531 /nfs/dbraw/zinc/50/65/31/949506531.db2.gz DNICWUVCRTXMQL-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159031 949509390 /nfs/dbraw/zinc/50/93/90/949509390.db2.gz VYRCGYLPUKFXMH-APPDUMDISA-N 0 1 382.432 0.593 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574949720 949509647 /nfs/dbraw/zinc/50/96/47/949509647.db2.gz BIUXUWWMORCUJB-JQWIXIFHSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCC(=O)N1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574949720 949509654 /nfs/dbraw/zinc/50/96/54/949509654.db2.gz BIUXUWWMORCUJB-JQWIXIFHSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159033 949512406 /nfs/dbraw/zinc/51/24/06/949512406.db2.gz VYRCGYLPUKFXMH-GTNSWQLSSA-N 0 1 382.432 0.593 20 0 GCADMN CC(C)n1nccc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574470833 949518148 /nfs/dbraw/zinc/51/81/48/949518148.db2.gz UXIIRICSOGWWCC-UHFFFAOYSA-N 0 1 382.432 0.621 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871779 949518969 /nfs/dbraw/zinc/51/89/69/949518969.db2.gz BZSALVIXOYHGNV-TZMCWYRMSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575871776 949519304 /nfs/dbraw/zinc/51/93/04/949519304.db2.gz BZSALVIXOYHGNV-OCCSQVGLSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1CCCC[C@@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnon1 ZINC001576159961 949520276 /nfs/dbraw/zinc/52/02/76/949520276.db2.gz YFPQGFUBLJLJHP-DIFFPNOSSA-N 0 1 383.416 0.857 20 0 GCADMN C[C@H]1CCCC[C@]1(CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnon1 ZINC001576159959 949523110 /nfs/dbraw/zinc/52/31/10/949523110.db2.gz YFPQGFUBLJLJHP-APPDUMDISA-N 0 1 383.416 0.857 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575871946 949524566 /nfs/dbraw/zinc/52/45/66/949524566.db2.gz DCLIZNXVYPDMHU-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575871946 949524581 /nfs/dbraw/zinc/52/45/81/949524581.db2.gz DCLIZNXVYPDMHU-CHWSQXEVSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949981 949525688 /nfs/dbraw/zinc/52/56/88/949525688.db2.gz ITNRZPCHPPAZIL-RQJHMYQMSA-N 0 1 384.853 0.419 20 0 GCADMN CC1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575538674 949526264 /nfs/dbraw/zinc/52/62/64/949526264.db2.gz IOTUBFQGPGJRLR-CYBMUJFWSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575871949 949526370 /nfs/dbraw/zinc/52/63/70/949526370.db2.gz DCLIZNXVYPDMHU-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575871949 949526389 /nfs/dbraw/zinc/52/63/89/949526389.db2.gz DCLIZNXVYPDMHU-STQMWFEESA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)n1ncnc1CNC[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001574471123 949529456 /nfs/dbraw/zinc/52/94/56/949529456.db2.gz JSGYVDFHMWYNRV-LBPRGKRZSA-N 0 1 384.448 0.619 20 0 GCADMN CC(C)n1ncnc1CNC1CC(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574471853 949536444 /nfs/dbraw/zinc/53/64/44/949536444.db2.gz NPUXXULYAQSLLA-UHFFFAOYSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163847 949540159 /nfs/dbraw/zinc/54/01/59/949540159.db2.gz CWKFQLCOYSEVTF-NWDGAFQWSA-N 0 1 386.416 0.006 20 0 GCADMN CC(C)(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CN1CCCC1 ZINC001573809432 949544136 /nfs/dbraw/zinc/54/41/36/949544136.db2.gz PSJVQRMUCAALOR-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574472397 949552083 /nfs/dbraw/zinc/55/20/83/949552083.db2.gz UJJMZJMUCBGIMY-ZJUUUORDSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574472397 949552112 /nfs/dbraw/zinc/55/21/12/949552112.db2.gz UJJMZJMUCBGIMY-ZJUUUORDSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](NC(=O)C[C@H]1COC(=O)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269470 949553183 /nfs/dbraw/zinc/55/31/83/949553183.db2.gz VEAURBXXDHIYBN-GXTWGEPZSA-N 0 1 384.440 0.756 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711819 949556419 /nfs/dbraw/zinc/55/64/19/949556419.db2.gz MRDDCTZAVZVXSO-NEPJUHHUSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711808 949556514 /nfs/dbraw/zinc/55/65/14/949556514.db2.gz MLRKFUNAZIXWNH-NWDGAFQWSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH]nc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711820 949557444 /nfs/dbraw/zinc/55/74/44/949557444.db2.gz MRDDCTZAVZVXSO-NWDGAFQWSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)NC(N)=O ZINC001574475467 949568830 /nfs/dbraw/zinc/56/88/30/949568830.db2.gz AIXTYLKWAPYHBV-SWLSCSKDSA-N 0 1 386.460 0.346 20 0 GCADMN C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576165364 949568789 /nfs/dbraw/zinc/56/87/89/949568789.db2.gz JXEROZMTZKCQOT-MQYQWHSLSA-N 0 1 386.460 0.733 20 0 GCADMN CC(C)(C)[C@@H](CNC(=O)CN1CCCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001573810081 949569142 /nfs/dbraw/zinc/56/91/42/949569142.db2.gz YPPNUINZCIUNCN-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN CC(C)CC(C)(C)C(=O)N(C)C[C@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574124387 949569298 /nfs/dbraw/zinc/56/92/98/949569298.db2.gz GEFCTKQLKHFJMW-CYBMUJFWSA-N 0 1 390.492 0.985 20 0 GCADMN C[C@@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)s1)NC(N)=O ZINC001574475849 949576236 /nfs/dbraw/zinc/57/62/36/949576236.db2.gz COKPXAAZXUPNSP-JTQLQIEISA-N 0 1 380.478 0.265 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574712378 949578273 /nfs/dbraw/zinc/57/82/73/949578273.db2.gz ROXHMFSXHBQQNF-QWRGUYRKSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574712378 949578283 /nfs/dbraw/zinc/57/82/83/949578283.db2.gz ROXHMFSXHBQQNF-QWRGUYRKSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574712401 949580540 /nfs/dbraw/zinc/58/05/40/949580540.db2.gz SAYGYMZUSABXIE-FZMZJTMJSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCN(C)C1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574712402 949581167 /nfs/dbraw/zinc/58/11/67/949581167.db2.gz SAYGYMZUSABXIE-RISCZKNCSA-N 0 1 389.435 0.421 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574475968 949582797 /nfs/dbraw/zinc/58/27/97/949582797.db2.gz DPXQRRBOKMCQBG-QWHCGFSZSA-N 0 1 390.492 0.772 20 0 GCADMN CC(C)C[C@@H](C(=O)N[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125560 949593116 /nfs/dbraw/zinc/59/31/16/949593116.db2.gz STVVWVRHLNOBJH-OLZOCXBDSA-N 0 1 384.448 0.479 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001573811317 949595170 /nfs/dbraw/zinc/59/51/70/949595170.db2.gz JYHMMABLELLBDU-ZYHUDNBSSA-N 0 1 392.489 0.230 20 0 GCADMN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001573811317 949595183 /nfs/dbraw/zinc/59/51/83/949595183.db2.gz JYHMMABLELLBDU-ZYHUDNBSSA-N 0 1 392.489 0.230 20 0 GCADMN C[C@@H](NC(=O)CCCC(N)=O)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575270734 949599241 /nfs/dbraw/zinc/59/92/41/949599241.db2.gz FTAGEUCTMUBRAQ-VXGBXAGGSA-N 0 1 387.448 0.033 20 0 GCADMN C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575270733 949600453 /nfs/dbraw/zinc/60/04/53/949600453.db2.gz FTAGEUCTMUBRAQ-RYUDHWBXSA-N 0 1 387.448 0.033 20 0 GCADMN CC(C)C[C@@H](C(N)=O)C(=O)N1CCC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574125921 949601149 /nfs/dbraw/zinc/60/11/49/949601149.db2.gz WOLCACWDKMDDEM-STQMWFEESA-N 0 1 386.460 0.234 20 0 GCADMN C[C@@H](NC(=O)CCCC(N)=O)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575270912 949606593 /nfs/dbraw/zinc/60/65/93/949606593.db2.gz HCSDUHACKCCQMM-LLVKDONJSA-N 0 1 389.435 0.598 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)CCC(=O)NC1 ZINC001575546630 949612830 /nfs/dbraw/zinc/61/28/30/949612830.db2.gz RKGLGGLCKPUXEG-SGTLLEGYSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574476714 949615770 /nfs/dbraw/zinc/61/57/70/949615770.db2.gz GMWGEZDECDYGBW-JTQLQIEISA-N 0 1 387.366 0.505 20 0 GCADMN C[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccsc2-c2nn[nH]n2)C1 ZINC001576167965 949621196 /nfs/dbraw/zinc/62/11/96/949621196.db2.gz ATXVDAVQSYBRBQ-SNVBAGLBSA-N 0 1 384.487 0.855 20 0 GCADMN C[C@@]1(C(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCCOC1 ZINC001575547223 949623098 /nfs/dbraw/zinc/62/30/98/949623098.db2.gz WDRWADVNHGSHLK-FZKQIMNGSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574714563 949632997 /nfs/dbraw/zinc/63/29/97/949632997.db2.gz FKYAMGDKNVEOGE-RYUDHWBXSA-N 0 1 384.448 0.265 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575876065 949637216 /nfs/dbraw/zinc/63/72/16/949637216.db2.gz IVPMKRVWBAPCEY-OCCSQVGLSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575875849 949637635 /nfs/dbraw/zinc/63/76/35/949637635.db2.gz WIIZXSKYHKBLKI-OLZOCXBDSA-N 0 1 385.476 0.615 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC1CCOCC1 ZINC001573814273 949640189 /nfs/dbraw/zinc/64/01/89/949640189.db2.gz COZBGLAFLPUFEC-ZDUSSCGKSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169115 949663366 /nfs/dbraw/zinc/66/33/66/949663366.db2.gz FJZREXCKTQSDCO-KGLIPLIRSA-N 0 1 387.492 0.459 20 0 GCADMN C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169112 949663687 /nfs/dbraw/zinc/66/36/87/949663687.db2.gz FEOLPZSGDBBEDT-ZIAGYGMSSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@H](NC(=O)CCCCC(N)=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575273572 949666044 /nfs/dbraw/zinc/66/60/44/949666044.db2.gz WUOSXEGDFMWHCE-ZDUSSCGKSA-N 0 1 385.472 0.849 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC[C@@H]1CCCO1 ZINC001573816121 949669094 /nfs/dbraw/zinc/66/90/94/949669094.db2.gz OMDUFFQPCOQHDA-STQMWFEESA-N 0 1 388.476 0.981 20 0 GCADMN C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576169225 949671363 /nfs/dbraw/zinc/67/13/63/949671363.db2.gz FVEPUAGNPQCDAC-DZGCQCFKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1)NC(N)=O ZINC001574477926 949682559 /nfs/dbraw/zinc/68/25/59/949682559.db2.gz WKDCHPJZFSRCHE-IUODEOHRSA-N 0 1 386.460 0.346 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nnn[n-]2)n1 ZINC001576169605 949683427 /nfs/dbraw/zinc/68/34/27/949683427.db2.gz HIGHBECSOUADJY-UONOGXRCSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169605 949683444 /nfs/dbraw/zinc/68/34/44/949683444.db2.gz HIGHBECSOUADJY-UONOGXRCSA-N 0 1 387.492 0.458 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169605 949683458 /nfs/dbraw/zinc/68/34/58/949683458.db2.gz HIGHBECSOUADJY-UONOGXRCSA-N 0 1 387.492 0.458 20 0 GCADMN C[C@@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880631 949702432 /nfs/dbraw/zinc/70/24/32/949702432.db2.gz VAAUMNYAACKHHJ-TZMCWYRMSA-N 0 1 379.428 0.768 20 0 GCADMN C[C@H]1CCCC[C@H]1CC(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170222 949709646 /nfs/dbraw/zinc/70/96/46/949709646.db2.gz LBYQWHVBQPOFAN-KBPBESRZSA-N 0 1 388.476 0.528 20 0 GCADMN C[C@@H](Nc1ncc(-c2nn[nH]n2)cc1Cl)[C@H](C)NC(=O)CCc1nc[nH]n1 ZINC001575276145 949710138 /nfs/dbraw/zinc/71/01/38/949710138.db2.gz HAAZCGPDWOYLGN-DTWKUNHWSA-N 0 1 390.839 0.971 20 0 GCADMN C[C@@H](NC(=O)CCOc1ccccc1)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575276128 949710659 /nfs/dbraw/zinc/71/06/59/949710659.db2.gz GTXFSMAJBHRQPV-CHWSQXEVSA-N 0 1 382.428 0.853 20 0 GCADMN CC(C)C[C@H](C)CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574133481 949712945 /nfs/dbraw/zinc/71/29/45/949712945.db2.gz FATFSVYDJIQGDK-UONOGXRCSA-N 0 1 375.477 0.987 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccc(F)cn1 ZINC001573818038 949714149 /nfs/dbraw/zinc/71/41/49/949714149.db2.gz FHVBZWPFKVUGJO-LBPRGKRZSA-N 0 1 385.407 0.869 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1c[nH]c(=O)cn1 ZINC001573817987 949714256 /nfs/dbraw/zinc/71/42/56/949714256.db2.gz DFLWBHXHYWBQDC-CYBMUJFWSA-N 0 1 383.416 0.024 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ncccc1F ZINC001573818092 949716362 /nfs/dbraw/zinc/71/63/62/949716362.db2.gz GAUXISQDJWRGJX-NSHDSACASA-N 0 1 385.407 0.869 20 0 GCADMN C[C@@]1(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)CCOC1 ZINC001575557380 949723020 /nfs/dbraw/zinc/72/30/20/949723020.db2.gz INBZSCHQPLUXNI-SCLBCKFNSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574478845 949724547 /nfs/dbraw/zinc/72/45/47/949724547.db2.gz BJTFICZQMDUDCO-OCCSQVGLSA-N 0 1 386.460 0.687 20 0 GCADMN C[C@@H](NC(=O)CCOC1CCOCC1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575276766 949729542 /nfs/dbraw/zinc/72/95/42/949729542.db2.gz LBBDTUFVVIKOOT-CHWSQXEVSA-N 0 1 389.460 0.574 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574717463 949736692 /nfs/dbraw/zinc/73/66/92/949736692.db2.gz VYZTWAMDWUQOAI-RYUDHWBXSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCC(=O)NC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574717463 949736704 /nfs/dbraw/zinc/73/67/04/949736704.db2.gz VYZTWAMDWUQOAI-RYUDHWBXSA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1nccnc1N ZINC001573818733 949740576 /nfs/dbraw/zinc/74/05/76/949740576.db2.gz OZZXZTYOCKMYKF-GFCCVEGCSA-N 0 1 382.432 0.312 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cscn1 ZINC001573818689 949741432 /nfs/dbraw/zinc/74/14/32/949741432.db2.gz OEWGSIXGNWWQIB-LLVKDONJSA-N 0 1 387.473 0.721 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001575558766 949742937 /nfs/dbraw/zinc/74/29/37/949742937.db2.gz RVMFXMMOUZHIAV-KPZWWZAWSA-N 0 1 388.476 0.838 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCC(=O)N1 ZINC001573819354 949755057 /nfs/dbraw/zinc/75/50/57/949755057.db2.gz UCXICUUSDZPAKM-SMDDNHRTSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573819804 949758766 /nfs/dbraw/zinc/75/87/66/949758766.db2.gz VOTJHIWLBZVBPL-SMDDNHRTSA-N 0 1 387.444 0.580 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574964073 949766365 /nfs/dbraw/zinc/76/63/65/949766365.db2.gz PJFMKOOPFDXVLU-LOWVWBTDSA-N 0 1 389.435 0.502 20 0 GCADMN C[C@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001574481168 949767499 /nfs/dbraw/zinc/76/74/99/949767499.db2.gz MZECCBOCQNBBII-CYBMUJFWSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574964375 949774483 /nfs/dbraw/zinc/77/44/83/949774483.db2.gz VAEDGSHSLOFJJF-MXWKQRLJSA-N 0 1 377.474 0.424 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(N)=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574964375 949774493 /nfs/dbraw/zinc/77/44/93/949774493.db2.gz VAEDGSHSLOFJJF-MXWKQRLJSA-N 0 1 377.474 0.424 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cn2ccnc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171826 949780083 /nfs/dbraw/zinc/78/00/83/949780083.db2.gz SZKKXQYKACNNEH-CHWSQXEVSA-N 0 1 382.432 0.014 20 0 GCADMN C[C@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720470 949790743 /nfs/dbraw/zinc/79/07/43/949790743.db2.gz ADBGCTPJMZKALS-LLVKDONJSA-N 0 1 383.416 0.071 20 0 GCADMN C[C@@H](NC(=O)COCc1ccncc1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575280889 949794987 /nfs/dbraw/zinc/79/49/87/949794987.db2.gz BGQBAMGOEDQLKW-CHWSQXEVSA-N 0 1 382.428 0.601 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882888 949796979 /nfs/dbraw/zinc/79/69/79/949796979.db2.gz ORYXXQCOHCFBIY-PWSUYJOCSA-N 0 1 385.457 0.829 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CCNCc1cnon1 ZINC001576172132 949797549 /nfs/dbraw/zinc/79/75/49/949797549.db2.gz VOELMSHNQSKWPV-ABAIWWIYSA-N 0 1 385.432 0.998 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481712 949798799 /nfs/dbraw/zinc/79/87/99/949798799.db2.gz UJCYZWFWDVMPOA-QWRGUYRKSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481712 949798813 /nfs/dbraw/zinc/79/88/13/949798813.db2.gz UJCYZWFWDVMPOA-QWRGUYRKSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575281286 949808705 /nfs/dbraw/zinc/80/87/05/949808705.db2.gz FGVAAECLQQIKGU-VXGBXAGGSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575281286 949808723 /nfs/dbraw/zinc/80/87/23/949808723.db2.gz FGVAAECLQQIKGU-VXGBXAGGSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574965708 949811867 /nfs/dbraw/zinc/81/18/67/949811867.db2.gz JYJATVYCQUKGLI-QYNIQEEDSA-N 0 1 384.853 0.039 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575281768 949815371 /nfs/dbraw/zinc/81/53/71/949815371.db2.gz APOZUWVVKNFFAM-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575281768 949815396 /nfs/dbraw/zinc/81/53/96/949815396.db2.gz APOZUWVVKNFFAM-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575281768 949815417 /nfs/dbraw/zinc/81/54/17/949815417.db2.gz APOZUWVVKNFFAM-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H](CN(C)C(=O)CCc1c[nH]nn1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574721199 949816193 /nfs/dbraw/zinc/81/61/93/949816193.db2.gz KQMDQEJETQUDPB-SECBINFHSA-N 0 1 390.839 0.925 20 0 GCADMN C[C@H](CN(C)C(=O)CCc1cnn[nH]1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574721199 949816212 /nfs/dbraw/zinc/81/62/12/949816212.db2.gz KQMDQEJETQUDPB-SECBINFHSA-N 0 1 390.839 0.925 20 0 GCADMN CC1(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCOCC1 ZINC001575562165 949820243 /nfs/dbraw/zinc/82/02/43/949820243.db2.gz DXBPBBAHUSBBIZ-CYBMUJFWSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576172920 949828205 /nfs/dbraw/zinc/82/82/05/949828205.db2.gz ZMXWYBZMXGIXGB-UKRRQHHQSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575282457 949835997 /nfs/dbraw/zinc/83/59/97/949835997.db2.gz BPSVVSXELOIBDV-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575282457 949836016 /nfs/dbraw/zinc/83/60/16/949836016.db2.gz BPSVVSXELOIBDV-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575282457 949836040 /nfs/dbraw/zinc/83/60/40/949836040.db2.gz BPSVVSXELOIBDV-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575282457 949836064 /nfs/dbraw/zinc/83/60/64/949836064.db2.gz BPSVVSXELOIBDV-ZIAGYGMSSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H]1[C@@H](NC(=O)Cc2cnn(C)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575883978 949837392 /nfs/dbraw/zinc/83/73/92/949837392.db2.gz UBSMBUKPZKFCMB-AAEUAGOBSA-N 0 1 382.432 0.106 20 0 GCADMN CC1(C(=O)N[C@H]2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575563417 949838307 /nfs/dbraw/zinc/83/83/07/949838307.db2.gz KIGDLBIQEKPMFH-STQMWFEESA-N 0 1 386.460 0.592 20 0 GCADMN CC1(C(=O)N[C@@H]2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575563403 949839225 /nfs/dbraw/zinc/83/92/25/949839225.db2.gz KIGDLBIQEKPMFH-CHWSQXEVSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574483962 949849588 /nfs/dbraw/zinc/84/95/88/949849588.db2.gz AONXUJZIRRPILP-STQMWFEESA-N 0 1 382.432 0.329 20 0 GCADMN C[C@@H](CN(C)C(=O)CCn1cc(Cl)cn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574723650 949857013 /nfs/dbraw/zinc/85/70/13/949857013.db2.gz ANBCXFIANKPIRO-JTQLQIEISA-N 0 1 390.839 0.278 20 0 GCADMN C[C@@H](NC(=O)CN1CC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)C1CC1 ZINC001575283245 949859758 /nfs/dbraw/zinc/85/97/58/949859758.db2.gz DSPGAXJOJOSYPY-NEPJUHHUSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@H]1CCCc2ncc(C(=O)N(C)CCNc3ccncc3-c3nn[nH]n3)n21 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/nfs/dbraw/zinc/86/35/90/949863590.db2.gz FFZGMGBVKJOFAN-NWDGAFQWSA-N 0 1 375.481 0.940 20 0 GCADMN CC(C)(C)C12CC(C(=O)NC[C@@H](O)CNc3ccnc(-c4nn[nH]n4)n3)(C1)C2 ZINC001573825201 949865315 /nfs/dbraw/zinc/86/53/15/949865315.db2.gz MRWVEUNLQUAIFS-NVWNAPEYSA-N 0 1 386.460 0.184 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178002 949872953 /nfs/dbraw/zinc/87/29/53/949872953.db2.gz AITMVEFHYBWSNW-YPMHNXCESA-N 0 1 380.416 0.221 20 0 GCADMN C[C@H](CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccncc1 ZINC001574484297 949875825 /nfs/dbraw/zinc/87/58/25/949875825.db2.gz YDGRTRPDZONVKO-CYBMUJFWSA-N 0 1 379.428 0.894 20 0 GCADMN CC(C)(C)C12CC(C(=O)NC[C@H](CO)Nc3ccnc(-c4nn[nH]n4)n3)(C1)C2 ZINC001573825440 949877029 /nfs/dbraw/zinc/87/70/29/949877029.db2.gz VUAORSVOWDGAIV-IPPDQLOFSA-N 0 1 386.460 0.184 20 0 GCADMN C[C@@H](CC(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1ccncc1 ZINC001574484298 949876834 /nfs/dbraw/zinc/87/68/34/949876834.db2.gz YDGRTRPDZONVKO-ZDUSSCGKSA-N 0 1 379.428 0.894 20 0 GCADMN C[C@@H](CNC(=O)c1c2ccccc2nn1C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574967942 949880157 /nfs/dbraw/zinc/88/01/57/949880157.db2.gz KEIVHNFGLDJCFU-LLVKDONJSA-N 0 1 392.427 0.443 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cc[nH]c(=O)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575886571 949885551 /nfs/dbraw/zinc/88/55/51/949885551.db2.gz MYPXCADDFVEIGM-CMPLNLGQSA-N 0 1 381.400 0.545 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccsn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178493 949885929 /nfs/dbraw/zinc/88/59/29/949885929.db2.gz BRYUHSRQRKMPAC-PWSUYJOCSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)COc1ccccc1F ZINC001575284004 949889810 /nfs/dbraw/zinc/88/98/10/949889810.db2.gz SLFDSXTUWDIGPO-MNOVXSKESA-N 0 1 386.391 0.602 20 0 GCADMN C[C@@H](CN(C)C(=O)CCn1ccnn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725058 949890417 /nfs/dbraw/zinc/89/04/17/949890417.db2.gz OLFFXROLZHVEKI-LBPRGKRZSA-N 0 1 387.423 0.624 20 0 GCADMN C[C@H](CN(C)C(=O)CCn1cncn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725097 949894392 /nfs/dbraw/zinc/89/43/92/949894392.db2.gz PNVMMXLUECVIAN-GFCCVEGCSA-N 0 1 387.423 0.624 20 0 GCADMN CCCCn1c(N)c(N(CC)C(=O)C[N@@H+](C)C[C@@H](C)C(=O)[O-])c(=O)[nH]c1=O ZINC001589667091 949898240 /nfs/dbraw/zinc/89/82/40/949898240.db2.gz HFCXCHFLRMOAJX-LLVKDONJSA-N 0 1 383.449 0.337 20 0 GCADMN CC1(C(=O)NC2CCN(CCNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)CC1 ZINC001575569122 949907163 /nfs/dbraw/zinc/90/71/63/949907163.db2.gz GODIPPFDFZCNPF-UHFFFAOYSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574484931 949910198 /nfs/dbraw/zinc/91/01/98/949910198.db2.gz RYPHMJOYNBYOMT-KBPBESRZSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@]1(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCNC(=O)C1 ZINC001575569309 949911830 /nfs/dbraw/zinc/91/18/30/949911830.db2.gz IHNADNGKHMDQRE-GOSISDBHSA-N 0 1 384.444 0.263 20 0 GCADMN CC(C)C[C@@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574144552 949912365 /nfs/dbraw/zinc/91/23/65/949912365.db2.gz OVAAMRHZULSFEY-ZFWWWQNUSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001574484977 949913481 /nfs/dbraw/zinc/91/34/81/949913481.db2.gz SXAGWDIQFJEDRP-CYBMUJFWSA-N 0 1 382.432 0.543 20 0 GCADMN C[C@@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001574484978 949915615 /nfs/dbraw/zinc/91/56/15/949915615.db2.gz SXAGWDIQFJEDRP-ZDUSSCGKSA-N 0 1 382.432 0.543 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576179694 949921287 /nfs/dbraw/zinc/92/12/87/949921287.db2.gz BVQOHCPVYPQDBN-JSGCOSHPSA-N 0 1 382.428 0.811 20 0 GCADMN C[C@H](CN(C)C(=O)CCc1nc[nH]n1)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001574726040 949925707 /nfs/dbraw/zinc/92/57/07/949925707.db2.gz WXVCWMKTFSZYCS-SECBINFHSA-N 0 1 390.839 0.925 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cnn[nH]2)CCCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575889417 949927945 /nfs/dbraw/zinc/92/79/45/949927945.db2.gz RXFCBLFEXJUSGN-GZMMTYOYSA-N 0 1 388.823 0.821 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575889420 949928186 /nfs/dbraw/zinc/92/81/86/949928186.db2.gz RXFCBLFEXJUSGN-KCJUWKMLSA-N 0 1 388.823 0.821 20 0 GCADMN C[C@@H](CC(=O)N1CCCN(Cc2ccccc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574485748 949931950 /nfs/dbraw/zinc/93/19/50/949931950.db2.gz ZXCAIYPWMVHCOE-ZDUSSCGKSA-N 0 1 386.460 0.348 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)Cc1cc(C2CC2)no1 ZINC001575285067 949933627 /nfs/dbraw/zinc/93/36/27/949933627.db2.gz XVELUKWQWBESPV-ZJUUUORDSA-N 0 1 383.416 0.492 20 0 GCADMN C[C@H](NC(=O)COc1ccc(F)cc1)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575285134 949936474 /nfs/dbraw/zinc/93/64/74/949936474.db2.gz ZBTHFHZJXXCVCO-QWRGUYRKSA-N 0 1 386.391 0.602 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575890122 949943325 /nfs/dbraw/zinc/94/33/25/949943325.db2.gz VMDGYPAWSNKUSV-ZWNOBZJWSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CN(C)C(=O)COc1ccccc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574727019 949948983 /nfs/dbraw/zinc/94/89/83/949948983.db2.gz NISZUPCFYLFWGM-NSHDSACASA-N 0 1 386.391 0.556 20 0 GCADMN C[C@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574726939 949949597 /nfs/dbraw/zinc/94/95/97/949949597.db2.gz MVXODPQVYHPGTR-LLVKDONJSA-N 0 1 392.489 0.280 20 0 GCADMN C[C@H](CN(C)C(=O)CN1CCCNC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574726939 949949619 /nfs/dbraw/zinc/94/96/19/949949619.db2.gz MVXODPQVYHPGTR-LLVKDONJSA-N 0 1 392.489 0.280 20 0 GCADMN C[C@@H](NC(=O)CCn1ccnn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285646 949951286 /nfs/dbraw/zinc/95/12/86/949951286.db2.gz PNKVBOJHSLELPC-LLVKDONJSA-N 0 1 387.473 0.547 20 0 GCADMN C[C@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)NC(N)=O ZINC001574488892 949952445 /nfs/dbraw/zinc/95/24/45/949952445.db2.gz HBOAHOGSFNALOC-MFKMUULPSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)NC(N)=O ZINC001574488891 949955109 /nfs/dbraw/zinc/95/51/09/949955109.db2.gz HBOAHOGSFNALOC-GXFFZTMASA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](NC(=O)CCn1ccnn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285647 949960712 /nfs/dbraw/zinc/96/07/12/949960712.db2.gz PNKVBOJHSLELPC-NSHDSACASA-N 0 1 387.473 0.547 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575285986 949961937 /nfs/dbraw/zinc/96/19/37/949961937.db2.gz SAIGOAKFNJTMRZ-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575285986 949961956 /nfs/dbraw/zinc/96/19/56/949961956.db2.gz SAIGOAKFNJTMRZ-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575285986 949961971 /nfs/dbraw/zinc/96/19/71/949961971.db2.gz SAIGOAKFNJTMRZ-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575285986 949962001 /nfs/dbraw/zinc/96/20/01/949962001.db2.gz SAIGOAKFNJTMRZ-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574727629 949977306 /nfs/dbraw/zinc/97/73/06/949977306.db2.gz WLMLHPXCXPMUJL-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](CN(C)C(=O)CN1CCCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574727629 949977324 /nfs/dbraw/zinc/97/73/24/949977324.db2.gz WLMLHPXCXPMUJL-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CN1CCCCCC1=O ZINC001575286389 949980928 /nfs/dbraw/zinc/98/09/28/949980928.db2.gz VUMJOWKSMAVIDX-OLZOCXBDSA-N 0 1 386.460 0.391 20 0 GCADMN CC(C)C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@H]1CCCN1C ZINC001574148722 949988581 /nfs/dbraw/zinc/98/85/81/949988581.db2.gz PBJDPRZWJNRTPB-UKRRQHHQSA-N 0 1 388.476 0.550 20 0 GCADMN CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@H]1CCCN1C ZINC001574148796 949993300 /nfs/dbraw/zinc/99/33/00/949993300.db2.gz QNQNZIVNTFBUNJ-DZGCQCFKSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575891283 949995030 /nfs/dbraw/zinc/99/50/30/949995030.db2.gz HHIRKSMEHNYEFT-ZYHUDNBSSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CCNc1ccncc1-c1nn[nH]n1)NC(=O)C(=O)N1CCC(C)CC1 ZINC001576181262 949996183 /nfs/dbraw/zinc/99/61/83/949996183.db2.gz SIVUPJCUOOWKNN-ZDUSSCGKSA-N 0 1 386.460 0.249 20 0 GCADMN CC(C)C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CN1CCCC1 ZINC001574148855 949998051 /nfs/dbraw/zinc/99/80/51/949998051.db2.gz RIHYEFWCBGBQBB-AWEZNQCLSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CC(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001574490572 950002529 /nfs/dbraw/zinc/00/25/29/950002529.db2.gz VJUPLKOPZXKBGH-DGCLKSJQSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181338 950004668 /nfs/dbraw/zinc/00/46/68/950004668.db2.gz TXFFEEOOJIOCDF-JQWIXIFHSA-N 0 1 385.457 0.888 20 0 GCADMN CC1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC(F)(F)C1 ZINC001575574111 950010709 /nfs/dbraw/zinc/01/07/09/950010709.db2.gz SAESRUQOGADUAW-SECBINFHSA-N 0 1 386.428 0.930 20 0 GCADMN CC(C)C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)CN1CCCC1 ZINC001574150377 950032201 /nfs/dbraw/zinc/03/22/01/950032201.db2.gz ZHGWTTQRPIKKIF-CQSZACIVSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574730691 950035688 /nfs/dbraw/zinc/03/56/88/950035688.db2.gz BBQDKOXBWIOXSW-SNVBAGLBSA-N 0 1 375.824 0.493 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1nnn(C)n1 ZINC001574150904 950045270 /nfs/dbraw/zinc/04/52/70/950045270.db2.gz GQHCBLYEDNVIGK-JTQLQIEISA-N 0 1 390.477 0.386 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1nnn(C)n1 ZINC001574150904 950045288 /nfs/dbraw/zinc/04/52/88/950045288.db2.gz GQHCBLYEDNVIGK-JTQLQIEISA-N 0 1 390.477 0.386 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CCN1CCCC1=O ZINC001575891986 950045156 /nfs/dbraw/zinc/04/51/56/950045156.db2.gz QBZCUDNUVGKOQY-OLZOCXBDSA-N 0 1 386.460 0.400 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cn(C)nn1 ZINC001574150939 950047105 /nfs/dbraw/zinc/04/71/05/950047105.db2.gz HNFNVGXBLXJDFC-NSHDSACASA-N 0 1 389.489 0.991 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cn(C)nn1 ZINC001574150939 950047124 /nfs/dbraw/zinc/04/71/24/950047124.db2.gz HNFNVGXBLXJDFC-NSHDSACASA-N 0 1 389.489 0.991 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1ncn(C)n1 ZINC001574150998 950052392 /nfs/dbraw/zinc/05/23/92/950052392.db2.gz IZFQMAWMVIETRK-LLVKDONJSA-N 0 1 389.489 0.991 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1ncn(C)n1 ZINC001574150998 950052413 /nfs/dbraw/zinc/05/24/13/950052413.db2.gz IZFQMAWMVIETRK-LLVKDONJSA-N 0 1 389.489 0.991 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnsn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182837 950067738 /nfs/dbraw/zinc/06/77/38/950067738.db2.gz PQNPTRZJQIKFCL-YGRLFVJLSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnsn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182928 950070938 /nfs/dbraw/zinc/07/09/38/950070938.db2.gz PZOKKMLKCQAHJU-MWLCHTKSSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@@H]1CNCc1nccn1C ZINC001576183020 950077757 /nfs/dbraw/zinc/07/77/57/950077757.db2.gz QJPOVCFRLCRNJP-SWLSCSKDSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575576986 950081340 /nfs/dbraw/zinc/08/13/40/950081340.db2.gz UHUWKSOTRNWSLH-ZBEGNZNMSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@]1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCOC1 ZINC001575576986 950081359 /nfs/dbraw/zinc/08/13/59/950081359.db2.gz UHUWKSOTRNWSLH-ZBEGNZNMSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574732979 950084310 /nfs/dbraw/zinc/08/43/10/950084310.db2.gz OMXCILKJPVRDAA-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN C[C@@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574733052 950089097 /nfs/dbraw/zinc/08/90/97/950089097.db2.gz QSGCBXGXNDAJLF-JTQLQIEISA-N 0 1 391.386 0.777 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574733081 950093017 /nfs/dbraw/zinc/09/30/17/950093017.db2.gz ROPSROFEUCQIAZ-NHYWBVRUSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575894501 950102345 /nfs/dbraw/zinc/10/23/45/950102345.db2.gz DZZVWSGHHSVUJJ-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001574492749 950102762 /nfs/dbraw/zinc/10/27/62/950102762.db2.gz CIAQIJYKENVGDU-SCZZXKLOSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2cnoc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183804 950105101 /nfs/dbraw/zinc/10/51/01/950105101.db2.gz REMXBYBDVDMNLA-DGCLKSJQSA-N 0 1 383.416 0.206 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1ccn(C)n1 ZINC001576183992 950109048 /nfs/dbraw/zinc/10/90/48/950109048.db2.gz UWHDRVSRCDHCKK-LRDDRELGSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184035 950115980 /nfs/dbraw/zinc/11/59/80/950115980.db2.gz VIVNBKGEUJSQQH-BLLLJJGKSA-N 0 1 381.444 0.770 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576184134 950120144 /nfs/dbraw/zinc/12/01/44/950120144.db2.gz ULJFDXSTEORRKW-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576184134 950120161 /nfs/dbraw/zinc/12/01/61/950120161.db2.gz ULJFDXSTEORRKW-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN CC1(C(=O)NC[C@]2(O)CCN(c3nc(-c4nn[nH]n4)c(Cl)s3)C2)CC1 ZINC001575582646 950126228 /nfs/dbraw/zinc/12/62/28/950126228.db2.gz LWOHHOAGZHVJOT-CQSZACIVSA-N 0 1 383.865 0.834 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574734212 950131476 /nfs/dbraw/zinc/13/14/76/950131476.db2.gz KUHDQCRNFPTAHG-RNFRBKRXSA-N 0 1 384.853 0.514 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184676 950135815 /nfs/dbraw/zinc/13/58/15/950135815.db2.gz WXWJKRAMOFAEOF-UONOGXRCSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184676 950135830 /nfs/dbraw/zinc/13/58/30/950135830.db2.gz WXWJKRAMOFAEOF-UONOGXRCSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1ccc(-c2nnn[n-]2)nn1 ZINC001576184674 950138594 /nfs/dbraw/zinc/13/85/94/950138594.db2.gz WXWJKRAMOFAEOF-KBPBESRZSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576184674 950138603 /nfs/dbraw/zinc/13/86/03/950138603.db2.gz WXWJKRAMOFAEOF-KBPBESRZSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CCCOC1 ZINC001575583275 950141179 /nfs/dbraw/zinc/14/11/79/950141179.db2.gz KWFHVDQASXRBLW-JWXAPSBJSA-N 0 1 384.444 0.272 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2=NC(=O)N(C)C2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575897648 950144812 /nfs/dbraw/zinc/14/48/12/950144812.db2.gz PMCRBDJEFLWCGT-JQWIXIFHSA-N 0 1 383.416 0.488 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574734799 950147244 /nfs/dbraw/zinc/14/72/44/950147244.db2.gz ROPSROFEUCQIAZ-IAQYHMDHSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccn(C)n2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576185005 950152742 /nfs/dbraw/zinc/15/27/42/950152742.db2.gz YJERWWIAVFCVFF-WCQYABFASA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCOCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574734966 950155980 /nfs/dbraw/zinc/15/59/80/950155980.db2.gz WAETYBGHISANFD-KWCYVHTRSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2ccccc2)n[nH]1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574982339 950160042 /nfs/dbraw/zinc/16/00/42/950160042.db2.gz BPNDSMGUGUYAJO-LLVKDONJSA-N 0 1 390.411 0.699 20 0 GCADMN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@@H]1CNCc1csnn1 ZINC001576190426 950162656 /nfs/dbraw/zinc/16/26/56/950162656.db2.gz BGXKNDROCDBINL-PWSUYJOCSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@@]1(C(=O)NC[C@H]2CCCCCN2c2ccnc(-c3nn[nH]n3)n2)CCOC1 ZINC001575584422 950168836 /nfs/dbraw/zinc/16/88/36/950168836.db2.gz QWNVXPFSAKASBE-FZKQIMNGSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001574982522 950172387 /nfs/dbraw/zinc/17/23/87/950172387.db2.gz DXJZNROPIJHREH-MNOVXSKESA-N 0 1 385.432 0.279 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574154631 950173850 /nfs/dbraw/zinc/17/38/50/950173850.db2.gz FMOIHUULOVTJKC-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574154631 950173860 /nfs/dbraw/zinc/17/38/60/950173860.db2.gz FMOIHUULOVTJKC-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574154631 950173867 /nfs/dbraw/zinc/17/38/67/950173867.db2.gz FMOIHUULOVTJKC-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574154631 950173877 /nfs/dbraw/zinc/17/38/77/950173877.db2.gz FMOIHUULOVTJKC-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576190951 950175146 /nfs/dbraw/zinc/17/51/46/950175146.db2.gz DXLPNVLTLWFJGK-KBPBESRZSA-N 0 1 381.444 0.477 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CCc1cnc[nH]1 ZINC001574154696 950175328 /nfs/dbraw/zinc/17/53/28/950175328.db2.gz GCPQKUFNWPVSKV-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCc1cc2n(n1)CCCC2 ZINC001574738818 950178692 /nfs/dbraw/zinc/17/86/92/950178692.db2.gz ICUOLDPATUPQGF-LBPRGKRZSA-N 0 1 383.460 0.978 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575900266 950195803 /nfs/dbraw/zinc/19/58/03/950195803.db2.gz CZDSOQJTIVNOCN-ZYHUDNBSSA-N 0 1 383.391 0.978 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574155564 950199022 /nfs/dbraw/zinc/19/90/22/950199022.db2.gz NURXMFQDUVSTMA-CYBMUJFWSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@H]1CCCOC1 ZINC001574155636 950201759 /nfs/dbraw/zinc/20/17/59/950201759.db2.gz PIPNMRYTZJXPOM-UONOGXRCSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C2CC2)C1 ZINC001576191694 950204519 /nfs/dbraw/zinc/20/45/19/950204519.db2.gz HTTWOIHPYSLEIF-OCCSQVGLSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576191694 950204533 /nfs/dbraw/zinc/20/45/33/950204533.db2.gz HTTWOIHPYSLEIF-OCCSQVGLSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576191694 950204545 /nfs/dbraw/zinc/20/45/45/950204545.db2.gz HTTWOIHPYSLEIF-OCCSQVGLSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ncn(C)n2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191606 950205845 /nfs/dbraw/zinc/20/58/45/950205845.db2.gz HIKDPLLROGBTSA-VXGBXAGGSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1CCC(O)CC1 ZINC001574156003 950215783 /nfs/dbraw/zinc/21/57/83/950215783.db2.gz UALPZULRIKFDRZ-ROKHWSDSSA-N 0 1 388.476 0.573 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(F)CCOC1 ZINC001574155993 950218155 /nfs/dbraw/zinc/21/81/55/950218155.db2.gz TXNOMLFWDIBPQS-BZNIZROVSA-N 0 1 378.412 0.150 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574155992 950218300 /nfs/dbraw/zinc/21/83/00/950218300.db2.gz TXNOMLFWDIBPQS-BDJLRTHQSA-N 0 1 378.412 0.150 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574983820 950241326 /nfs/dbraw/zinc/24/13/26/950241326.db2.gz SELIVEUDQICVKL-VIFPVBQESA-N 0 1 386.391 0.341 20 0 GCADMN C[C@H]1[C@H](NCC(=O)Nc2ccon2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901862 950242820 /nfs/dbraw/zinc/24/28/20/950242820.db2.gz QXEXEJALTHEQTM-GXSJLCMTSA-N 0 1 385.388 0.014 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1COCCO1 ZINC001574157733 950249542 /nfs/dbraw/zinc/24/95/42/950249542.db2.gz HNXSQVBRGCJACF-DOMZBBRYSA-N 0 1 375.433 0.042 20 0 GCADMN C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574497992 950256906 /nfs/dbraw/zinc/25/69/06/950256906.db2.gz HWOGJYWPSWYDKJ-IYXRBSQSSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575902451 950258184 /nfs/dbraw/zinc/25/81/84/950258184.db2.gz UZURGGRZVDROAH-RISCZKNCSA-N 0 1 382.432 0.173 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[nH]n2)cn1)NC(=O)CCc1c[nH]nn1 ZINC001574157908 950261567 /nfs/dbraw/zinc/26/15/67/950261567.db2.gz KZFBVEUKWGOYIU-LBPRGKRZSA-N 0 1 385.436 0.350 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H](C)NC(N)=O ZINC001574157973 950261951 /nfs/dbraw/zinc/26/19/51/950261951.db2.gz MADGLKNTEGSOQK-RYUDHWBXSA-N 0 1 389.464 0.073 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001574157963 950263274 /nfs/dbraw/zinc/26/32/74/950263274.db2.gz LXNVRUNJACIYSZ-SECBINFHSA-N 0 1 391.823 0.977 20 0 GCADMN CC(C)(C)OC(=O)CN1CCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1=O ZINC001573850050 950266490 /nfs/dbraw/zinc/26/64/90/950266490.db2.gz DZHXGRMQLLYCAI-NSHDSACASA-N 0 1 388.432 0.213 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192759 950267816 /nfs/dbraw/zinc/26/78/16/950267816.db2.gz QUVGTSHCQJIUDQ-VXGBXAGGSA-N 0 1 380.416 0.079 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574158036 950268014 /nfs/dbraw/zinc/26/80/14/950268014.db2.gz NCYYDVSTRTXULF-ZDUSSCGKSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574158036 950268032 /nfs/dbraw/zinc/26/80/32/950268032.db2.gz NCYYDVSTRTXULF-ZDUSSCGKSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)n1cccn1 ZINC001574498478 950273573 /nfs/dbraw/zinc/27/35/73/950273573.db2.gz NXKBSMDXEUMZEU-GFCCVEGCSA-N 0 1 382.432 0.377 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)[C@@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001576193090 950282082 /nfs/dbraw/zinc/28/20/82/950282082.db2.gz RSPXKAVMGPIDGJ-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)n1cccc1 ZINC001574498838 950286813 /nfs/dbraw/zinc/28/68/13/950286813.db2.gz QDDAVVGLUNTZPJ-OLZOCXBDSA-N 0 1 389.485 0.948 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)n1cccc1 ZINC001574498838 950286832 /nfs/dbraw/zinc/28/68/32/950286832.db2.gz QDDAVVGLUNTZPJ-OLZOCXBDSA-N 0 1 389.485 0.948 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193320 950290735 /nfs/dbraw/zinc/29/07/35/950290735.db2.gz SRWWWPCYTHAGLA-VXGBXAGGSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@H]1CCN(C(=O)c2cn(C)nn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193318 950293551 /nfs/dbraw/zinc/29/35/51/950293551.db2.gz SRWWWPCYTHAGLA-NWDGAFQWSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001574499049 950294309 /nfs/dbraw/zinc/29/43/09/950294309.db2.gz RVNVMQPGDGBOSB-DZGCQCFKSA-N 0 1 381.440 0.766 20 0 GCADMN C[C@H](CC(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccccc1 ZINC001574499052 950295559 /nfs/dbraw/zinc/29/55/59/950295559.db2.gz RVNVMQPGDGBOSB-HIFRSBDPSA-N 0 1 381.440 0.766 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCCC(N)=O ZINC001575905463 950296094 /nfs/dbraw/zinc/29/60/94/950296094.db2.gz CUGPACHVBRYDBF-PWSUYJOCSA-N 0 1 377.474 0.663 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCCC(N)=O ZINC001575905463 950296116 /nfs/dbraw/zinc/29/61/16/950296116.db2.gz CUGPACHVBRYDBF-PWSUYJOCSA-N 0 1 377.474 0.663 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCNC1=O ZINC001574159317 950299377 /nfs/dbraw/zinc/29/93/77/950299377.db2.gz WHKRMZJMRLGBFY-CHWSQXEVSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001574742744 950301960 /nfs/dbraw/zinc/30/19/60/950301960.db2.gz QTVJZEOCPOQRJW-QWRGUYRKSA-N 0 1 385.432 0.373 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1CCNC1=O ZINC001574159320 950303201 /nfs/dbraw/zinc/30/32/01/950303201.db2.gz WHKRMZJMRLGBFY-STQMWFEESA-N 0 1 386.460 0.153 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574742942 950308925 /nfs/dbraw/zinc/30/89/25/950308925.db2.gz QTVOMEWWUKHOKX-MVWJERBFSA-N 0 1 383.416 0.298 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001574159681 950312767 /nfs/dbraw/zinc/31/27/67/950312767.db2.gz XYUVGXITANXRTB-DZGCQCFKSA-N 0 1 389.508 0.608 20 0 GCADMN C[C@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001574500280 950314321 /nfs/dbraw/zinc/31/43/21/950314321.db2.gz ZGRBSMQWZSVLQG-TZMCWYRMSA-N 0 1 388.476 0.574 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001574500275 950315833 /nfs/dbraw/zinc/31/58/33/950315833.db2.gz ZGRBSMQWZSVLQG-GXTWGEPZSA-N 0 1 388.476 0.574 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193917 950316290 /nfs/dbraw/zinc/31/62/90/950316290.db2.gz WAPOFYZPOYRHAO-OCCSQVGLSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCNC(N)=O ZINC001575906515 950316968 /nfs/dbraw/zinc/31/69/68/950316968.db2.gz IRRZWMAHENNFOD-GXSJLCMTSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCNC(N)=O ZINC001575906515 950316988 /nfs/dbraw/zinc/31/69/88/950316988.db2.gz IRRZWMAHENNFOD-GXSJLCMTSA-N 0 1 378.462 0.066 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574159811 950321849 /nfs/dbraw/zinc/32/18/49/950321849.db2.gz JNEGJFMKHIITNW-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)C[C@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574159811 950321869 /nfs/dbraw/zinc/32/18/69/950321869.db2.gz JNEGJFMKHIITNW-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)n1cncn1 ZINC001574159872 950322432 /nfs/dbraw/zinc/32/24/32/950322432.db2.gz YWQKBFLFOJYINE-OLZOCXBDSA-N 0 1 384.448 0.479 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)n1cncn1 ZINC001574159874 950323044 /nfs/dbraw/zinc/32/30/44/950323044.db2.gz YWQKBFLFOJYINE-STQMWFEESA-N 0 1 384.448 0.479 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)[C@@H]1CCN(C2CCC2)C1=O ZINC001574988260 950325216 /nfs/dbraw/zinc/32/52/16/950325216.db2.gz PMPQTDJZZOPOAM-IAQYHMDHSA-N 0 1 386.460 0.398 20 0 GCADMN CC(C)C[C@@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)CCc1c[nH]nn1 ZINC001574160598 950341246 /nfs/dbraw/zinc/34/12/46/950341246.db2.gz OVHCAKDPGUQZDJ-ZDUSSCGKSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574501848 950346934 /nfs/dbraw/zinc/34/69/34/950346934.db2.gz GXQPCOFHZDOOEX-WDEREUQCSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574501848 950346955 /nfs/dbraw/zinc/34/69/55/950346955.db2.gz GXQPCOFHZDOOEX-WDEREUQCSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574501848 950346977 /nfs/dbraw/zinc/34/69/77/950346977.db2.gz GXQPCOFHZDOOEX-WDEREUQCSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574501848 950347000 /nfs/dbraw/zinc/34/70/00/950347000.db2.gz GXQPCOFHZDOOEX-WDEREUQCSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576196424 950360707 /nfs/dbraw/zinc/36/07/07/950360707.db2.gz DEVCQNYXYGJBRH-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576196424 950360725 /nfs/dbraw/zinc/36/07/25/950360725.db2.gz DEVCQNYXYGJBRH-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576196424 950360742 /nfs/dbraw/zinc/36/07/42/950360742.db2.gz DEVCQNYXYGJBRH-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576196424 950360752 /nfs/dbraw/zinc/36/07/52/950360752.db2.gz DEVCQNYXYGJBRH-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)C1 ZINC001576196659 950363897 /nfs/dbraw/zinc/36/38/97/950363897.db2.gz FPVLUUHSIAAVCN-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C(C)(C)C2)C1 ZINC001576196659 950363918 /nfs/dbraw/zinc/36/39/18/950363918.db2.gz FPVLUUHSIAAVCN-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196716 950369579 /nfs/dbraw/zinc/36/95/79/950369579.db2.gz GGRPGXNXODJXLQ-UONOGXRCSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574745196 950378511 /nfs/dbraw/zinc/37/85/11/950378511.db2.gz GWTJEIQXSBLALO-QMMMGPOBSA-N 0 1 392.374 0.322 20 0 GCADMN CC(C)(C)NC(=O)CN1CCC(C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573855669 950384772 /nfs/dbraw/zinc/38/47/72/950384772.db2.gz YWYRSAAPKNLKCL-UHFFFAOYSA-N 0 1 388.476 0.694 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCCN(c3cnc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001576197191 950385455 /nfs/dbraw/zinc/38/54/55/950385455.db2.gz LIPNCBDXAWGATL-UHFFFAOYSA-N 0 1 385.476 0.427 20 0 GCADMN C[C@@]1(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCCOC1 ZINC001575596903 950386004 /nfs/dbraw/zinc/38/60/04/950386004.db2.gz JCAHSGSLXDBFBC-VEVIJQCQSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576197411 950391509 /nfs/dbraw/zinc/39/15/09/950391509.db2.gz NHWXSSDZTROFLI-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576197411 950391532 /nfs/dbraw/zinc/39/15/32/950391532.db2.gz NHWXSSDZTROFLI-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576197405 950392300 /nfs/dbraw/zinc/39/23/00/950392300.db2.gz NERWYMSGHKQUQW-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576197405 950392322 /nfs/dbraw/zinc/39/23/22/950392322.db2.gz NERWYMSGHKQUQW-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576197458 950401265 /nfs/dbraw/zinc/40/12/65/950401265.db2.gz OLYAIUJLUAMQSN-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576197458 950401275 /nfs/dbraw/zinc/40/12/75/950401275.db2.gz OLYAIUJLUAMQSN-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576197458 950401286 /nfs/dbraw/zinc/40/12/86/950401286.db2.gz OLYAIUJLUAMQSN-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576197458 950401295 /nfs/dbraw/zinc/40/12/95/950401295.db2.gz OLYAIUJLUAMQSN-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1[C@@H](NCc2ncc(Cl)n2C)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575909554 950401652 /nfs/dbraw/zinc/40/16/52/950401652.db2.gz HKQVOCYVUOUFIB-ZJUUUORDSA-N 0 1 389.851 0.975 20 0 GCADMN C[C@H]1[C@H](NCc2ncc(Cl)n2C)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575909553 950401725 /nfs/dbraw/zinc/40/17/25/950401725.db2.gz HKQVOCYVUOUFIB-VHSXEESVSA-N 0 1 389.851 0.975 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(C(F)F)ncn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574746816 950402334 /nfs/dbraw/zinc/40/23/34/950402334.db2.gz PTZOFLPXHAOJED-VIFPVBQESA-N 0 1 389.370 0.984 20 0 GCADMN C[C@@]1(C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCNC(=O)C1 ZINC001575597240 950402400 /nfs/dbraw/zinc/40/24/00/950402400.db2.gz ZSFMFKMJBAKWKS-RCAFFNEUSA-N 0 1 389.485 0.607 20 0 GCADMN C[C@@]1(C(=O)NC/C=C/C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCNC(=O)C1 ZINC001575597240 950402409 /nfs/dbraw/zinc/40/24/09/950402409.db2.gz ZSFMFKMJBAKWKS-RCAFFNEUSA-N 0 1 389.485 0.607 20 0 GCADMN C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198053 950406430 /nfs/dbraw/zinc/40/64/30/950406430.db2.gz RHQUWLZYXIRPNW-UONOGXRCSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576198053 950406440 /nfs/dbraw/zinc/40/64/40/950406440.db2.gz RHQUWLZYXIRPNW-UONOGXRCSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576198395 950408750 /nfs/dbraw/zinc/40/87/50/950408750.db2.gz SICLKXHOPIRDTO-ZIAGYGMSSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576198395 950408765 /nfs/dbraw/zinc/40/87/65/950408765.db2.gz SICLKXHOPIRDTO-ZIAGYGMSSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576198395 950408776 /nfs/dbraw/zinc/40/87/76/950408776.db2.gz SICLKXHOPIRDTO-ZIAGYGMSSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@H]1[C@H](NCc2ncc(Cl)n2C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575909861 950410120 /nfs/dbraw/zinc/41/01/20/950410120.db2.gz IROCXWSGPOFPBW-GXSJLCMTSA-N 0 1 389.851 0.975 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574747778 950416537 /nfs/dbraw/zinc/41/65/37/950416537.db2.gz XELSOONGALUAJZ-JTQLQIEISA-N 0 1 384.448 0.672 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576198916 950416964 /nfs/dbraw/zinc/41/69/64/950416964.db2.gz WQCCYTVUOVASSJ-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576198916 950416977 /nfs/dbraw/zinc/41/69/77/950416977.db2.gz WQCCYTVUOVASSJ-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001573860047 950417514 /nfs/dbraw/zinc/41/75/14/950417514.db2.gz BVICQMICFFKBPH-NWDGAFQWSA-N 0 1 377.453 0.741 20 0 GCADMN CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001573860057 950417688 /nfs/dbraw/zinc/41/76/88/950417688.db2.gz CBOQGZKUOOLQBF-NSHDSACASA-N 0 1 391.436 0.268 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576198915 950418369 /nfs/dbraw/zinc/41/83/69/950418369.db2.gz WQCCYTVUOVASSJ-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576198915 950418385 /nfs/dbraw/zinc/41/83/85/950418385.db2.gz WQCCYTVUOVASSJ-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN 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SLLFUBJZDNESME-NSHDSACASA-N 0 1 382.432 0.573 20 0 GCADMN C[C@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215314 950696898 /nfs/dbraw/zinc/69/68/98/950696898.db2.gz FGUMNMHFFRSRMZ-GHMZBOCLSA-N 0 1 381.444 0.762 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926185 950699406 /nfs/dbraw/zinc/69/94/06/950699406.db2.gz VWJOJXLJEYVOFM-WPRPVWTQSA-N 0 1 388.823 0.181 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576215412 950700789 /nfs/dbraw/zinc/70/07/89/950700789.db2.gz UZWJFEGEHLPZTC-OMNBBPDLSA-N 0 1 382.472 0.829 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576215412 950700803 /nfs/dbraw/zinc/70/08/03/950700803.db2.gz UZWJFEGEHLPZTC-OMNBBPDLSA-N 0 1 382.472 0.829 20 0 GCADMN C[C@@H](CN(C)C(=O)C1=NC(=O)N(C)C1)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001574762560 950708275 /nfs/dbraw/zinc/70/82/75/950708275.db2.gz YXVJWMVRNXCUMC-QMMMGPOBSA-N 0 1 375.368 0.413 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574763610 950721820 /nfs/dbraw/zinc/72/18/20/950721820.db2.gz GOGCVCULYXQVSU-VIFPVBQESA-N 0 1 375.462 0.494 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C)c1N)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574763610 950721834 /nfs/dbraw/zinc/72/18/34/950721834.db2.gz GOGCVCULYXQVSU-VIFPVBQESA-N 0 1 375.462 0.494 20 0 GCADMN CC(C)(C)c1cc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)no1 ZINC001573879776 950731211 /nfs/dbraw/zinc/73/12/11/950731211.db2.gz MDUZQLUMYHXILC-UHFFFAOYSA-N 0 1 383.416 0.905 20 0 GCADMN CC(C)(C)c1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001573879757 950733630 /nfs/dbraw/zinc/73/36/30/950733630.db2.gz KWUHFQRVDVNBDX-SNVBAGLBSA-N 0 1 383.416 0.691 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CNC(=O)C(C)(C)C ZINC001575927134 950734083 /nfs/dbraw/zinc/73/40/83/950734083.db2.gz NSHPUVRNCODBCJ-AAEUAGOBSA-N 0 1 386.460 0.247 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C(C)(C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764005 950742193 /nfs/dbraw/zinc/74/21/93/950742193.db2.gz OVEYCIWTKCMOOA-NSHDSACASA-N 0 1 384.448 0.603 20 0 GCADMN CC(C)CCC(=O)NCC(=O)NC[C@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574181403 950745072 /nfs/dbraw/zinc/74/50/72/950745072.db2.gz MNXNMOFOIYGSMJ-ZDUSSCGKSA-N 0 1 388.476 0.755 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C)c1Cl)Nc1ccncc1-c1nn[nH]n1 ZINC001574764149 950745504 /nfs/dbraw/zinc/74/55/04/950745504.db2.gz PYCDGLMRQIJBOO-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2cccnn21 ZINC001575927700 950750565 /nfs/dbraw/zinc/75/05/65/950750565.db2.gz SIILZZQEALUFKE-YPMHNXCESA-N 0 1 390.411 0.441 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c2c1C[C@@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216970 950751455 /nfs/dbraw/zinc/75/14/55/950751455.db2.gz LEWWWWQUSXIEMW-UWVGGRQHSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2cccnn21 ZINC001575927699 950752940 /nfs/dbraw/zinc/75/29/40/950752940.db2.gz SIILZZQEALUFKE-WCQYABFASA-N 0 1 390.411 0.441 20 0 GCADMN C[C@H]1CCn2cc(C(=O)NCCN(C)c3ccnc(-c4nn[nH]n4)n3)nc2C1 ZINC001576217301 950753144 /nfs/dbraw/zinc/75/31/44/950753144.db2.gz LYJNSEPKTFWEAD-NSHDSACASA-N 0 1 382.432 0.302 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927733 950755933 /nfs/dbraw/zinc/75/59/33/950755933.db2.gz SYOLLADOWIKZQH-BXUZGUMPSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574521081 950767185 /nfs/dbraw/zinc/76/71/85/950767185.db2.gz CYRJPNDOVWVUOD-MNOVXSKESA-N 0 1 390.477 0.378 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CCn1cnnn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574521081 950767207 /nfs/dbraw/zinc/76/72/07/950767207.db2.gz CYRJPNDOVWVUOD-MNOVXSKESA-N 0 1 390.477 0.378 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N(C)[C@@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574182822 950767159 /nfs/dbraw/zinc/76/71/59/950767159.db2.gz ZSPQIDBCDKOFNF-ZDUSSCGKSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CS(C)(=O)=O ZINC001574521040 950768114 /nfs/dbraw/zinc/76/81/14/950768114.db2.gz CPFNQTUSDCMHAD-NXEZZACHSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CS(C)(=O)=O ZINC001574521040 950768121 /nfs/dbraw/zinc/76/81/21/950768121.db2.gz CPFNQTUSDCMHAD-NXEZZACHSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccncc3-c3nn[nH]n3)c2C1 ZINC001576217726 950768358 /nfs/dbraw/zinc/76/83/58/950768358.db2.gz OHDRDGHXYBUFNM-LLVKDONJSA-N 0 1 381.444 0.716 20 0 GCADMN C[C@@H]1CCn2cc(C(=O)N(C)CCNc3ccnc(-c4nn[nH]n4)n3)nc2C1 ZINC001576217718 950768433 /nfs/dbraw/zinc/76/84/33/950768433.db2.gz OAYIJZLRUAQMIX-LLVKDONJSA-N 0 1 382.432 0.042 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576218056 950777471 /nfs/dbraw/zinc/77/74/71/950777471.db2.gz KOEGMQBULKLMTG-KZULUSFZSA-N 0 1 386.460 0.899 20 0 GCADMN CC(C)(C)c1n[nH]cc1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884100 950782435 /nfs/dbraw/zinc/78/24/35/950782435.db2.gz ICLSQIUSKYBQCT-MGCOHNPYSA-N 0 1 382.432 0.472 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576218330 950787828 /nfs/dbraw/zinc/78/78/28/950787828.db2.gz QUYMCBMRAOKFFL-QWRGUYRKSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576218906 950795163 /nfs/dbraw/zinc/79/51/63/950795163.db2.gz RWWKNMCATWBVQB-MNOVXSKESA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H](CN(C)[C@@H]1CCN(C(C)(C)C)C1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765892 950802807 /nfs/dbraw/zinc/80/28/07/950802807.db2.gz FTRNMVDVXTWMKL-SMDDNHRTSA-N 0 1 388.476 0.644 20 0 GCADMN CC(C)(C)c1nc(CN2CC(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001573885062 950809569 /nfs/dbraw/zinc/80/95/69/950809569.db2.gz NOIMTKSJKDOSAB-UHFFFAOYSA-N 0 1 384.448 0.472 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001575010185 950816036 /nfs/dbraw/zinc/81/60/36/950816036.db2.gz CFBHEIHBYYKIPF-HBNTYKKESA-N 0 1 383.416 0.298 20 0 GCADMN C[C@H]1CCn2cc(C(=O)N(C)CCNc3ccncc3-c3nn[nH]n3)nc2C1 ZINC001576219854 950816390 /nfs/dbraw/zinc/81/63/90/950816390.db2.gz VSCWXPHOSXQURW-LBPRGKRZSA-N 0 1 381.444 0.647 20 0 GCADMN CC(C)(C)c1nc(C(=O)NC[C@H](CO)Nc2ccncc2-c2nn[nH]n2)co1 ZINC001573885494 950825266 /nfs/dbraw/zinc/82/52/66/950825266.db2.gz SIBNWRZBHODNIO-SNVBAGLBSA-N 0 1 386.416 0.172 20 0 GCADMN CC(C)(C)c1nc(CN2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n[nH]1 ZINC001573885826 950838655 /nfs/dbraw/zinc/83/86/55/950838655.db2.gz VFRIBWKCBDCQKX-UHFFFAOYSA-N 0 1 384.448 0.568 20 0 GCADMN C[C@@H](CN(C)[C@@H]1CCN(C2CCC2)C1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767163 950841921 /nfs/dbraw/zinc/84/19/21/950841921.db2.gz MOEIKYGWSGTQJV-XHDPSFHLSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221104 950847987 /nfs/dbraw/zinc/84/79/87/950847987.db2.gz SKCPJQSPEFRXOJ-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221104 950848010 /nfs/dbraw/zinc/84/80/10/950848010.db2.gz SKCPJQSPEFRXOJ-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)C(=O)N1C[C@@H](C)OC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576221702 950856738 /nfs/dbraw/zinc/85/67/38/950856738.db2.gz WBGWPVGEFWJKQS-CYBMUJFWSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@H](CN(C)C(=O)c1csc(Cl)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767961 950872561 /nfs/dbraw/zinc/87/25/61/950872561.db2.gz VVCKMPJDHOYYJW-SSDOTTSWSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767978 950876099 /nfs/dbraw/zinc/87/60/99/950876099.db2.gz SEFMYOGXKXXOPR-JTQLQIEISA-N 0 1 383.416 0.518 20 0 GCADMN C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768746 950900642 /nfs/dbraw/zinc/90/06/42/950900642.db2.gz WMLGFDJJMSBEHF-QMMMGPOBSA-N 0 1 386.445 0.380 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576227090 950903199 /nfs/dbraw/zinc/90/31/99/950903199.db2.gz BITNPRTXVGLYDX-STQMWFEESA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ncoc1C(C)(C)C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768918 950904497 /nfs/dbraw/zinc/90/44/97/950904497.db2.gz XPKBHIWWZNUXMO-JTQLQIEISA-N 0 1 385.432 0.937 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC2)CC2(CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)O1 ZINC001576227326 950910719 /nfs/dbraw/zinc/91/07/19/950910719.db2.gz FXZQEZJMSCUWQQ-GFCCVEGCSA-N 0 1 384.444 0.653 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576227913 950925899 /nfs/dbraw/zinc/92/58/99/950925899.db2.gz FQHRWOJDJZLCHV-CHWSQXEVSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576227913 950925919 /nfs/dbraw/zinc/92/59/19/950925919.db2.gz FQHRWOJDJZLCHV-CHWSQXEVSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)(C)n1cc(CNC(=O)c2ccc(-c3nn[nH]n3)c(O)c2)c(=O)[nH]c1=O ZINC001573894188 950928211 /nfs/dbraw/zinc/92/82/11/950928211.db2.gz QMIFEJNPMOYUAU-UHFFFAOYSA-N 0 1 385.384 0.520 20 0 GCADMN CC(C)(CC(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573895510 950937882 /nfs/dbraw/zinc/93/78/82/950937882.db2.gz BWMVSIUAHVQMJZ-SECBINFHSA-N 0 1 387.366 0.551 20 0 GCADMN C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575937297 950940905 /nfs/dbraw/zinc/94/09/05/950940905.db2.gz JWRKWBLRDNZBOJ-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001575937297 950940923 /nfs/dbraw/zinc/94/09/23/950940923.db2.gz JWRKWBLRDNZBOJ-TZMCWYRMSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)(CC(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)CC(F)F ZINC001573896159 950946676 /nfs/dbraw/zinc/94/66/76/950946676.db2.gz GMOBVHSIUGSCLQ-JTQLQIEISA-N 0 1 383.403 0.644 20 0 GCADMN CC(C)(CC(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(F)F ZINC001573896629 950946748 /nfs/dbraw/zinc/94/67/48/950946748.db2.gz IXBRZCAMOOWOSZ-SECBINFHSA-N 0 1 384.391 0.039 20 0 GCADMN CC(C)(CC(=O)NC[C@@H](CO)Nc1ccnc(-c2nn[nH]n2)n1)CC(F)F ZINC001573897484 950959870 /nfs/dbraw/zinc/95/98/70/950959870.db2.gz QSZWFOMSTZIDMF-VIFPVBQESA-N 0 1 384.391 0.039 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1cccc(F)c1 ZINC001575017063 950971246 /nfs/dbraw/zinc/97/12/46/950971246.db2.gz GTHQDICRJGTZMY-JTQLQIEISA-N 0 1 386.391 0.681 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1cccc(F)c1 ZINC001575017064 950973304 /nfs/dbraw/zinc/97/33/04/950973304.db2.gz GTHQDICRJGTZMY-SNVBAGLBSA-N 0 1 386.391 0.681 20 0 GCADMN CC1(C)C[C@H]1C(=O)N1CCC[C@@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643787 950979501 /nfs/dbraw/zinc/97/95/01/950979501.db2.gz OYYVMAGAOHIKKM-OLZOCXBDSA-N 0 1 386.460 0.493 20 0 GCADMN CC(C)(CC(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573899680 950983352 /nfs/dbraw/zinc/98/33/52/950983352.db2.gz IPSGBVKEYFFLJZ-CYBMUJFWSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1ccc(F)cc1 ZINC001575017485 950998608 /nfs/dbraw/zinc/99/86/08/950998608.db2.gz KRQCSGLCPQAHOP-SNVBAGLBSA-N 0 1 386.391 0.681 20 0 GCADMN CC(C)CCCCC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001574195613 951004914 /nfs/dbraw/zinc/00/49/14/951004914.db2.gz UWTPOWJAHQRMMG-KGLIPLIRSA-N 0 1 388.476 0.929 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(F)c(F)c1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575023242 951076362 /nfs/dbraw/zinc/07/63/62/951076362.db2.gz LELBXNCLXYCAIO-MRVPVSSYSA-N 0 1 392.345 0.974 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccncc1-c1nn[nH]n1 ZINC001575024133 951092733 /nfs/dbraw/zinc/09/27/33/951092733.db2.gz WBZOQMGVZWLTAA-SECBINFHSA-N 0 1 386.441 0.322 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)C[C@@H](C)O2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024354 951101781 /nfs/dbraw/zinc/10/17/81/951101781.db2.gz BOVRRZRTDJFMIU-WDEREUQCSA-N 0 1 380.412 0.632 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)COC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024816 951115224 /nfs/dbraw/zinc/11/52/24/951115224.db2.gz NECWIUOFSGVTFF-NSHDSACASA-N 0 1 380.412 0.942 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575025320 951128855 /nfs/dbraw/zinc/12/88/55/951128855.db2.gz XZYCNZKZOYLBTH-LBPRGKRZSA-N 0 1 381.444 0.977 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)CCO2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575025443 951130684 /nfs/dbraw/zinc/13/06/84/951130684.db2.gz ZJFMJYMCVRMAGG-NSHDSACASA-N 0 1 380.412 0.492 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025817 951133280 /nfs/dbraw/zinc/13/32/80/951133280.db2.gz BFBRRXDYZBGMSN-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](CNC(=O)c1cccc(NC(N)=O)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001575027185 951155903 /nfs/dbraw/zinc/15/59/03/951155903.db2.gz CXUSLWPALPNFMF-SNVBAGLBSA-N 0 1 381.400 0.405 20 0 GCADMN C[C@H](CNC(=O)c1cccc(N(C)C)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575029676 951189831 /nfs/dbraw/zinc/18/98/31/951189831.db2.gz WQVRHZZDNAXPBG-LBPRGKRZSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@H](CNC(=O)c1cccnc1C(F)F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575031669 951200139 /nfs/dbraw/zinc/20/01/39/951200139.db2.gz GLUZHIBHFWYDRJ-VIFPVBQESA-N 0 1 389.370 0.889 20 0 GCADMN C[C@H](CNC(=O)c1cccn2nccc12)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575031696 951201335 /nfs/dbraw/zinc/20/13/35/951201335.db2.gz HEBDNFLHZHMQNA-LLVKDONJSA-N 0 1 378.400 0.559 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C(F)F)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575034346 951243498 /nfs/dbraw/zinc/24/34/98/951243498.db2.gz ATUWIMKYEYGTFR-MRVPVSSYSA-N 0 1 378.347 0.148 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(CC(F)F)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001575034502 951251962 /nfs/dbraw/zinc/25/19/62/951251962.db2.gz BWKQQKLVQHCTGC-SNVBAGLBSA-N 0 1 391.386 0.623 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C)c(=O)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575035522 951275346 /nfs/dbraw/zinc/27/53/46/951275346.db2.gz JVZLUIFDBZFNBT-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575036005 951289077 /nfs/dbraw/zinc/28/90/77/951289077.db2.gz OLYVMKJEOYYPHP-NSHDSACASA-N 0 1 382.432 0.372 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575036657 951298260 /nfs/dbraw/zinc/29/82/60/951298260.db2.gz VBWNZNXPARTHGF-NSHDSACASA-N 0 1 382.432 0.621 20 0 GCADMN C[C@H](CNC(=O)c1ccn(CC(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001575037009 951306048 /nfs/dbraw/zinc/30/60/48/951306048.db2.gz ZPLIDSWMDJETFE-SECBINFHSA-N 0 1 377.359 0.376 20 0 GCADMN C[C@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575038859 951325498 /nfs/dbraw/zinc/32/54/98/951325498.db2.gz MIWPAUUOHIHNAW-SNVBAGLBSA-N 0 1 385.436 0.258 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C(C)(C)C)nn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575038858 951326305 /nfs/dbraw/zinc/32/63/05/951326305.db2.gz MIWPAUUOHIHNAW-JTQLQIEISA-N 0 1 385.436 0.258 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)cn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575042179 951354600 /nfs/dbraw/zinc/35/46/00/951354600.db2.gz GUJPYLZHLBHZBC-ZETCQYMHSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575043036 951379265 /nfs/dbraw/zinc/37/92/65/951379265.db2.gz NTPQJUCJEUVLSP-ZCFIWIBFSA-N 0 1 382.841 0.583 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043153 951382365 /nfs/dbraw/zinc/38/23/65/951382365.db2.gz GHCIFEGFYRFXAH-NSHDSACASA-N 0 1 383.416 0.243 20 0 GCADMN C[C@H](CNC(=O)c1cn(C2CCC2)nn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043241 951383142 /nfs/dbraw/zinc/38/31/42/951383142.db2.gz PGUDVLBZBQDSJV-SNVBAGLBSA-N 0 1 383.420 0.228 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)ccc1=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001575043533 951395443 /nfs/dbraw/zinc/39/54/43/951395443.db2.gz SZSOTZAHNILWDA-ZDUSSCGKSA-N 0 1 381.440 0.816 20 0 GCADMN C[C@@H](CNC(=O)c1cnc(N(C)C)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043645 951401086 /nfs/dbraw/zinc/40/10/86/951401086.db2.gz LFPDXCQJYQOMGE-NSHDSACASA-N 0 1 382.432 0.372 20 0 GCADMN C[C@H](CNC(=O)c1cnc(Cl)n1C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043727 951401853 /nfs/dbraw/zinc/40/18/53/951401853.db2.gz MNRLQVSDJDPDQT-MRVPVSSYSA-N 0 1 376.812 0.298 20 0 GCADMN C[C@H](CNC(=O)c1cnc(C2CC2)nc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575044351 951413046 /nfs/dbraw/zinc/41/30/46/951413046.db2.gz RJRZGLLXKFJFLF-SNVBAGLBSA-N 0 1 380.416 0.579 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2cccnn21)CNc1ccncc1-c1nn[nH]n1 ZINC001575044542 951415421 /nfs/dbraw/zinc/41/54/21/951415421.db2.gz SGNVZXYAWCVXQN-LLVKDONJSA-N 0 1 378.400 0.204 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575052541 951468786 /nfs/dbraw/zinc/46/87/86/951468786.db2.gz LGANMMPWKHENNR-LLVKDONJSA-N 0 1 384.448 0.508 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)n1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575053287 951476418 /nfs/dbraw/zinc/47/64/18/951476418.db2.gz SCVLTSGTMCLKCQ-ZCFIWIBFSA-N 0 1 382.841 0.360 20 0 GCADMN C[C@H](CNC(=O)c1cnn2ccccc12)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575055619 951509911 /nfs/dbraw/zinc/50/99/11/951509911.db2.gz YHYIXGSTHPYMNN-NSHDSACASA-N 0 1 378.400 0.204 20 0 GCADMN C[C@H](CNC(=O)c1conc1C(F)(F)F)Nc1ccncc1-c1nn[nH]n1 ZINC001575057044 951524502 /nfs/dbraw/zinc/52/45/02/951524502.db2.gz OBGKRZUADJKSJU-SSDOTTSWSA-N 0 1 382.306 0.921 20 0 GCADMN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575057453 951526789 /nfs/dbraw/zinc/52/67/89/951526789.db2.gz PJZHURUOCPVGCM-SECBINFHSA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](CNC(=O)c1coc(C(N)=O)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575057453 951526795 /nfs/dbraw/zinc/52/67/95/951526795.db2.gz PJZHURUOCPVGCM-SECBINFHSA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](CNC(=O)c1nn(C)cc1Cl)CNc1ccncc1-c1nn[nH]n1 ZINC001575064943 951581892 /nfs/dbraw/zinc/58/18/92/951581892.db2.gz FWRQRQZBVGYFCI-VIFPVBQESA-N 0 1 375.824 0.549 20 0 GCADMN C[C@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067986 951628368 /nfs/dbraw/zinc/62/83/68/951628368.db2.gz UODGUQCJJSRPEE-LLVKDONJSA-N 0 1 384.448 0.863 20 0 GCADMN CC(C)Oc1cccnc1C(=O)NC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575068255 951631818 /nfs/dbraw/zinc/63/18/18/951631818.db2.gz YTMIMZMALGEQKX-NSHDSACASA-N 0 1 383.416 0.491 20 0 GCADMN C[C@H](CNC(=O)c1snnc1C1CC1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575069576 951645028 /nfs/dbraw/zinc/64/50/28/951645028.db2.gz KXPQTLQCANMJDE-MRVPVSSYSA-N 0 1 386.445 0.640 20 0 GCADMN C[C@H](CNC(=O)c1scnc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575069669 951645738 /nfs/dbraw/zinc/64/57/38/951645738.db2.gz LNMMUWIBEPYQJA-VIFPVBQESA-N 0 1 385.457 0.891 20 0 GCADMN O=C([O-])CN1CCC[C@H](C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1=O ZINC001595081916 951689971 /nfs/dbraw/zinc/68/99/71/951689971.db2.gz DLVVGVNNHIBVIS-DLBZAZTESA-N 0 1 389.452 0.193 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575089829 951754732 /nfs/dbraw/zinc/75/47/32/951754732.db2.gz HPNXVNRWHCSDOL-XHDPSFHLSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575090641 951762292 /nfs/dbraw/zinc/76/22/92/951762292.db2.gz MXSZBHIULKRTRK-MRXNPFEDSA-N 0 1 392.489 0.361 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)CCNC(N)=O)C1CC1 ZINC001575090641 951762302 /nfs/dbraw/zinc/76/23/02/951762302.db2.gz MXSZBHIULKRTRK-MRXNPFEDSA-N 0 1 392.489 0.361 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575091311 951772983 /nfs/dbraw/zinc/77/29/83/951772983.db2.gz QVWWYPNYIUAFQY-CXAGYDPISA-N 0 1 392.485 0.718 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1COCCO1)C1CC1 ZINC001575091311 951772989 /nfs/dbraw/zinc/77/29/89/951772989.db2.gz QVWWYPNYIUAFQY-CXAGYDPISA-N 0 1 392.485 0.718 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCn1cncn1 ZINC001575091500 951777026 /nfs/dbraw/zinc/77/70/26/951777026.db2.gz SRUQTIJAAUKZMG-LBPRGKRZSA-N 0 1 387.423 0.624 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1cn[nH]c(=O)c1 ZINC001575091564 951777661 /nfs/dbraw/zinc/77/76/61/951777661.db2.gz VGRQEXZHUOZJEZ-SNVBAGLBSA-N 0 1 386.391 0.752 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H](C)n1cncn1 ZINC001575091553 951778877 /nfs/dbraw/zinc/77/88/77/951778877.db2.gz UZONKZFZRFEECJ-RYUDHWBXSA-N 0 1 387.423 0.795 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1=O ZINC001595092166 951787531 /nfs/dbraw/zinc/78/75/31/951787531.db2.gz ZATHDNLOVLYOMI-PMPSAXMXSA-N 0 1 396.488 0.395 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1=O ZINC001595092163 951787783 /nfs/dbraw/zinc/78/77/83/951787783.db2.gz ZATHDNLOVLYOMI-HRCADAONSA-N 0 1 396.488 0.395 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575098428 951823265 /nfs/dbraw/zinc/82/32/65/951823265.db2.gz CYICMONQRSIAKR-QWRGUYRKSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1COC(=O)C1 ZINC001575098428 951823270 /nfs/dbraw/zinc/82/32/70/951823270.db2.gz CYICMONQRSIAKR-QWRGUYRKSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575098440 951823572 /nfs/dbraw/zinc/82/35/72/951823572.db2.gz DAQUHCQWEQWDEC-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@]1(C)CCNC(=O)C1 ZINC001575098440 951823575 /nfs/dbraw/zinc/82/35/75/951823575.db2.gz DAQUHCQWEQWDEC-GTNSWQLSSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575098442 951824337 /nfs/dbraw/zinc/82/43/37/951824337.db2.gz DAQUHCQWEQWDEC-PIGZYNQJSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575098442 951824343 /nfs/dbraw/zinc/82/43/43/951824343.db2.gz DAQUHCQWEQWDEC-PIGZYNQJSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098759 951825464 /nfs/dbraw/zinc/82/54/64/951825464.db2.gz GHZZKQYUUFDXKK-LLVKDONJSA-N 0 1 389.489 0.531 20 0 GCADMN C[C@@H](CNC(=O)CCc1cn(C)nn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098759 951825472 /nfs/dbraw/zinc/82/54/72/951825472.db2.gz GHZZKQYUUFDXKK-LLVKDONJSA-N 0 1 389.489 0.531 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN1CCCC1=O ZINC001575098682 951826063 /nfs/dbraw/zinc/82/60/63/951826063.db2.gz FCFSOJKRUWWXNP-LLVKDONJSA-N 0 1 377.474 0.487 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN1CCCC1=O ZINC001575098682 951826069 /nfs/dbraw/zinc/82/60/69/951826069.db2.gz FCFSOJKRUWWXNP-LLVKDONJSA-N 0 1 377.474 0.487 20 0 GCADMN C[C@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099042 951827083 /nfs/dbraw/zinc/82/70/83/951827083.db2.gz HRLLMUBTGVFEMH-VIFPVBQESA-N 0 1 389.441 0.776 20 0 GCADMN C[C@H](CNC(=O)c1coc(C(N)=O)c1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099042 951827087 /nfs/dbraw/zinc/82/70/87/951827087.db2.gz HRLLMUBTGVFEMH-VIFPVBQESA-N 0 1 389.441 0.776 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099234 951830674 /nfs/dbraw/zinc/83/06/74/951830674.db2.gz JEFJTHCPVJYVDV-SECBINFHSA-N 0 1 376.446 0.523 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(=O)n1C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099234 951830685 /nfs/dbraw/zinc/83/06/85/951830685.db2.gz JEFJTHCPVJYVDV-SECBINFHSA-N 0 1 376.446 0.523 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575099359 951832295 /nfs/dbraw/zinc/83/22/95/951832295.db2.gz KNZAMEZWLZMWPL-VXGBXAGGSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCC(=O)NC1 ZINC001575099359 951832305 /nfs/dbraw/zinc/83/23/05/951832305.db2.gz KNZAMEZWLZMWPL-VXGBXAGGSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099514 951834554 /nfs/dbraw/zinc/83/45/54/951834554.db2.gz MLPWVWWWJYEWAC-VHSXEESVSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099514 951834564 /nfs/dbraw/zinc/83/45/64/951834564.db2.gz MLPWVWWWJYEWAC-VHSXEESVSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099513 951834765 /nfs/dbraw/zinc/83/47/65/951834765.db2.gz MLPWVWWWJYEWAC-UWVGGRQHSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)S(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099513 951834776 /nfs/dbraw/zinc/83/47/76/951834776.db2.gz MLPWVWWWJYEWAC-UWVGGRQHSA-N 0 1 386.503 0.203 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575099429 951835393 /nfs/dbraw/zinc/83/53/93/951835393.db2.gz LSLCMECMVSBICW-VXGBXAGGSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCCC(=O)N1 ZINC001575099429 951835404 /nfs/dbraw/zinc/83/54/04/951835404.db2.gz LSLCMECMVSBICW-VXGBXAGGSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001575099394 951836120 /nfs/dbraw/zinc/83/61/20/951836120.db2.gz LHORAQDFIRUPRL-NXEZZACHSA-N 0 1 380.478 0.217 20 0 GCADMN C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001575099394 951836127 /nfs/dbraw/zinc/83/61/27/951836127.db2.gz LHORAQDFIRUPRL-NXEZZACHSA-N 0 1 380.478 0.217 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575099822 951839407 /nfs/dbraw/zinc/83/94/07/951839407.db2.gz PASIIMKPJGVFEB-NSHDSACASA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575099822 951839412 /nfs/dbraw/zinc/83/94/12/951839412.db2.gz PASIIMKPJGVFEB-NSHDSACASA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100188 951844280 /nfs/dbraw/zinc/84/42/80/951844280.db2.gz RVQTYSVMVODSTI-QWRGUYRKSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](CNC(=O)C[C@@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100188 951844288 /nfs/dbraw/zinc/84/42/88/951844288.db2.gz RVQTYSVMVODSTI-QWRGUYRKSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575101010 951851672 /nfs/dbraw/zinc/85/16/72/951851672.db2.gz XNPDVCYTUQFMOZ-NWDGAFQWSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001575101010 951851676 /nfs/dbraw/zinc/85/16/76/951851676.db2.gz XNPDVCYTUQFMOZ-NWDGAFQWSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101043 951851934 /nfs/dbraw/zinc/85/19/34/951851934.db2.gz YCRFCXZPTGXCJJ-HWPZZCPQSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101043 951851938 /nfs/dbraw/zinc/85/19/38/951851938.db2.gz YCRFCXZPTGXCJJ-HWPZZCPQSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101119 951853508 /nfs/dbraw/zinc/85/35/08/951853508.db2.gz ZROLGCWWFYRNKV-RYUDHWBXSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)C[C@@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101119 951853515 /nfs/dbraw/zinc/85/35/15/951853515.db2.gz ZROLGCWWFYRNKV-RYUDHWBXSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575102002 951865727 /nfs/dbraw/zinc/86/57/27/951865727.db2.gz KHIMDVXCLOSYFY-SECBINFHSA-N 0 1 376.446 0.618 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575102002 951865735 /nfs/dbraw/zinc/86/57/35/951865735.db2.gz KHIMDVXCLOSYFY-SECBINFHSA-N 0 1 376.446 0.618 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575102349 951868370 /nfs/dbraw/zinc/86/83/70/951868370.db2.gz LOJXOIPOCMJZIM-UTUOFQBUSA-N 0 1 391.501 0.766 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575102349 951868376 /nfs/dbraw/zinc/86/83/76/951868376.db2.gz LOJXOIPOCMJZIM-UTUOFQBUSA-N 0 1 391.501 0.766 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575102346 951868833 /nfs/dbraw/zinc/86/88/33/951868833.db2.gz LOJXOIPOCMJZIM-TUAOUCFPSA-N 0 1 391.501 0.766 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001575102346 951868843 /nfs/dbraw/zinc/86/88/43/951868843.db2.gz LOJXOIPOCMJZIM-TUAOUCFPSA-N 0 1 391.501 0.766 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575103036 951873786 /nfs/dbraw/zinc/87/37/86/951873786.db2.gz RETHBXAHBDVURH-JTQLQIEISA-N 0 1 388.457 0.272 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(=O)n(C)n1 ZINC001575103036 951873794 /nfs/dbraw/zinc/87/37/94/951873794.db2.gz RETHBXAHBDVURH-JTQLQIEISA-N 0 1 388.457 0.272 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cnn(C)c1N ZINC001575103373 951874981 /nfs/dbraw/zinc/87/49/81/951874981.db2.gz STDJUZUEXXSDAQ-SECBINFHSA-N 0 1 375.462 0.494 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cnn(C)c1N ZINC001575103373 951874986 /nfs/dbraw/zinc/87/49/86/951874986.db2.gz STDJUZUEXXSDAQ-SECBINFHSA-N 0 1 375.462 0.494 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575103361 951875385 /nfs/dbraw/zinc/87/53/85/951875385.db2.gz SQDFCSPURBVTJA-SECBINFHSA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(C(N)=O)o1 ZINC001575103361 951875389 /nfs/dbraw/zinc/87/53/89/951875389.db2.gz SQDFCSPURBVTJA-SECBINFHSA-N 0 1 389.441 0.870 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575103316 951875436 /nfs/dbraw/zinc/87/54/36/951875436.db2.gz SICZMXOJEQDIBQ-ZYHUDNBSSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575103316 951875439 /nfs/dbraw/zinc/87/54/39/951875439.db2.gz SICZMXOJEQDIBQ-ZYHUDNBSSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](CNCc1noc2c1COCC2)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575118778 951985095 /nfs/dbraw/zinc/98/50/95/951985095.db2.gz SVSHIRDFDIGRRJ-JTQLQIEISA-N 0 1 386.416 0.411 20 0 GCADMN C[C@H](CNCc1nnnn1C(C)(C)C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119333 951989658 /nfs/dbraw/zinc/98/96/58/951989658.db2.gz XIIWRQFHUATLNB-SNVBAGLBSA-N 0 1 387.452 0.092 20 0 GCADMN C[C@@](CNc1ccc(-c2nn[nH]n2)nn1)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001575128876 952072610 /nfs/dbraw/zinc/07/26/10/952072610.db2.gz NTWRJCUSGOCUHO-KRWDZBQOSA-N 0 1 382.432 0.709 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575143363 952151499 /nfs/dbraw/zinc/15/14/99/952151499.db2.gz OYGHTEPBGUIYJR-QGZVFWFLSA-N 0 1 381.400 0.190 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1Cc2ccccc2C1 ZINC001575143656 952155952 /nfs/dbraw/zinc/15/59/52/952155952.db2.gz QPXTUNOINXKLGR-GFCCVEGCSA-N 0 1 378.440 0.752 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575144445 952165721 /nfs/dbraw/zinc/16/57/21/952165721.db2.gz VSESBXJKEZSNTF-MNOVXSKESA-N 0 1 382.432 0.181 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC001575144610 952169760 /nfs/dbraw/zinc/16/97/60/952169760.db2.gz JKVNZFNVOKUOSQ-WDEREUQCSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(F)cncc1F ZINC001575144724 952170771 /nfs/dbraw/zinc/17/07/71/952170771.db2.gz KUWHNRVMWOYUDE-MRVPVSSYSA-N 0 1 375.343 0.324 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C1CC2(C1)CCOCC2 ZINC001575144843 952172190 /nfs/dbraw/zinc/17/21/90/952172190.db2.gz YFFMLOUWSLLBOE-LBPRGKRZSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)[C@H]1CCCC(=O)N1)C1CC1 ZINC001575144877 952174249 /nfs/dbraw/zinc/17/42/49/952174249.db2.gz MZRCDVHYOXWXLY-KDOFPFPSSA-N 0 1 384.444 0.049 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)Cc1cncs1)C1CC1 ZINC001575144968 952175611 /nfs/dbraw/zinc/17/56/11/952175611.db2.gz ZSQZSNDTQDKWOX-MRXNPFEDSA-N 0 1 385.457 0.475 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575144971 952175748 /nfs/dbraw/zinc/17/57/48/952175748.db2.gz ZTKQQTPEWFYWLT-HNNXBMFYSA-N 0 1 387.429 0.251 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2cncn2C1 ZINC001575145015 952176928 /nfs/dbraw/zinc/17/69/28/952176928.db2.gz OEUJNPPKWMVAPR-QWHCGFSZSA-N 0 1 381.444 0.402 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2c(c1)COC2 ZINC001575145127 952177958 /nfs/dbraw/zinc/17/79/58/952177958.db2.gz QTNRVIMCPYDGLA-LLVKDONJSA-N 0 1 380.412 0.681 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575145201 952180646 /nfs/dbraw/zinc/18/06/46/952180646.db2.gz SIGQZERKQXOWPE-LLVKDONJSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCCN(C)C1=O ZINC001575145312 952181204 /nfs/dbraw/zinc/18/12/04/952181204.db2.gz VQEMZQKUZZEKNC-OLZOCXBDSA-N 0 1 386.460 0.201 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCc2nccn2C1 ZINC001575145394 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Cn1cnc(C(=O)N[C@@H]2C[C@H](Nc3ccncc3-c3nn[nH]n3)C23CCC3)c1 ZINC001571146857 952653210 /nfs/dbraw/zinc/65/32/10/952653210.db2.gz OCTLDLPWMKIJKO-LSDHHAIUSA-N 0 1 379.428 0.570 20 0 GCADMN O=C(Cc1ccn[nH]1)N1C[C@H]2CCC[C@@H](C1)N2c1ccc(-c2nn[nH]n2)cn1 ZINC001571146902 952654298 /nfs/dbraw/zinc/65/42/98/952654298.db2.gz PIHMVOQCSZRKBG-GASCZTMLSA-N 0 1 379.428 0.797 20 0 GCADMN Nc1nccnc1C(=O)N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571146888 952654512 /nfs/dbraw/zinc/65/45/12/952654512.db2.gz OTZVFXDBEKDELB-CYBMUJFWSA-N 0 1 379.428 0.633 20 0 GCADMN CCc1cccc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571146947 952655698 /nfs/dbraw/zinc/65/56/98/952655698.db2.gz DLSCWCVTKPKCOF-RISCZKNCSA-N 0 1 379.428 0.609 20 0 GCADMN O=C([C@H]1CCn2cncc2C1)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571147028 952656513 /nfs/dbraw/zinc/65/65/13/952656513.db2.gz QLJCGMLHRPDGHL-QWHCGFSZSA-N 0 1 379.428 0.156 20 0 GCADMN Cn1cccc1C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571147102 952657524 /nfs/dbraw/zinc/65/75/24/952657524.db2.gz SXKLIEVNMIOJFD-ZDUSSCGKSA-N 0 1 379.428 0.784 20 0 GCADMN O=C(NC[C@@H]1CCN(c2ncccc2-c2nn[nH]n2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001571147303 952659817 /nfs/dbraw/zinc/65/98/17/952659817.db2.gz WXUAVLXWELUKGZ-IACUBPJLSA-N 0 1 379.428 0.731 20 0 GCADMN O=C(N[C@@H]1CC2(CN(CC3CC3)C2)n2ccnc21)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571147429 952661335 /nfs/dbraw/zinc/66/13/35/952661335.db2.gz XUSQCZNHHYKRLH-CQSZACIVSA-N 0 1 379.428 0.687 20 0 GCADMN Cc1nccc(C(=O)N[C@H]2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)n1 ZINC001571147422 952661985 /nfs/dbraw/zinc/66/19/85/952661985.db2.gz XMDIMHHFVHTSFS-JSGCOSHPSA-N 0 1 379.428 0.793 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001571147510 952662363 /nfs/dbraw/zinc/66/23/63/952662363.db2.gz MOGBHVPDQOBIKB-CYBMUJFWSA-N 0 1 379.428 0.464 20 0 GCADMN Cc1c[nH]cc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571147731 952663753 /nfs/dbraw/zinc/66/37/53/952663753.db2.gz PEJBTXHRAJJPIF-OLZOCXBDSA-N 0 1 379.428 0.892 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCCN1C(=O)c1ccncc1 ZINC001571148335 952667190 /nfs/dbraw/zinc/66/71/90/952667190.db2.gz YPPBHIMDJKDISH-GXTWGEPZSA-N 0 1 379.428 0.969 20 0 GCADMN CCc1cncc(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571148444 952667198 /nfs/dbraw/zinc/66/71/98/952667198.db2.gz ZRAYCRNTRCHVKY-AWEZNQCLSA-N 0 1 379.428 0.965 20 0 GCADMN O=C(CNS(=O)(=O)c1cccnc1-c1nn[nH]n1)c1c(F)cccc1F ZINC001571152901 952684194 /nfs/dbraw/zinc/68/41/94/952684194.db2.gz KQLVMIICPABSCD-UHFFFAOYSA-N 0 1 380.336 0.701 20 0 GCADMN COCc1ccccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571154833 952690860 /nfs/dbraw/zinc/69/08/60/952690860.db2.gz BYYAOJKABQLELM-ZDUSSCGKSA-N 0 1 380.412 0.552 20 0 GCADMN Cc1cnc(C(=O)N[C@@H]2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571156655 952703706 /nfs/dbraw/zinc/70/37/06/952703706.db2.gz GDKLEYPFQBJKQT-QWHCGFSZSA-N 0 1 379.428 0.935 20 0 GCADMN Cc1cc(N[C@H]2CC[C@H](NC(=O)c3cncnc3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156800 952704722 /nfs/dbraw/zinc/70/47/22/952704722.db2.gz JSILFOLSVVPONE-HDJSIYSDSA-N 0 1 379.428 0.935 20 0 GCADMN COc1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)ccc1C ZINC001571157918 952708368 /nfs/dbraw/zinc/70/83/68/952708368.db2.gz CONZJAYEDYQTLL-CYBMUJFWSA-N 0 1 380.412 0.982 20 0 GCADMN Cc1cc(=O)c(C(=O)N[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)c[nH]1 ZINC001571158483 952712208 /nfs/dbraw/zinc/71/22/08/952712208.db2.gz JGIAZOWVZQDVLJ-LBPRGKRZSA-N 0 1 380.412 0.576 20 0 GCADMN Cc1cc(N[C@@H]2CCCN(C(=O)c3ncccc3[O-])C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571158654 952713984 /nfs/dbraw/zinc/71/39/84/952713984.db2.gz LPYIJDGZDQYXHZ-GFCCVEGCSA-N 0 1 380.412 0.809 20 0 GCADMN Cc1cc(NC[C@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158949 952715691 /nfs/dbraw/zinc/71/56/91/952715691.db2.gz NXJASDWDSKQSLT-GFCCVEGCSA-N 0 1 380.412 0.667 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)c3cncnc3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158909 952716512 /nfs/dbraw/zinc/71/65/12/952716512.db2.gz UDWQDCNVQBUUEQ-JSGCOSHPSA-N 0 1 379.428 0.887 20 0 GCADMN COc1ncccc1C(=O)N1C[C@H](Nc2ccncc2-c2nn[nH]n2)C[C@@H]1C ZINC001571159024 952716912 /nfs/dbraw/zinc/71/69/12/952716912.db2.gz PHAQHNMNCYTAHA-NWDGAFQWSA-N 0 1 380.412 0.802 20 0 GCADMN Cc1cc(N[C@H]2C[C@H](NC(=O)c3cn(C)ccc3=O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159012 952716927 /nfs/dbraw/zinc/71/69/27/952716927.db2.gz PCVXTYJVXVEFPV-HAQNSBGRSA-N 0 1 380.412 0.064 20 0 GCADMN Cc1cc(=O)c(C(=O)NC[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001571159531 952720164 /nfs/dbraw/zinc/72/01/64/952720164.db2.gz XKEIGWAXCBAOLJ-GFCCVEGCSA-N 0 1 380.412 0.515 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)c1cccnn1 ZINC001571160349 952726167 /nfs/dbraw/zinc/72/61/67/952726167.db2.gz HQBSBBWLDLJZDW-GDBMZVCRSA-N 0 1 380.412 0.022 20 0 GCADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1O)c1cccnn1 ZINC001571160352 952726700 /nfs/dbraw/zinc/72/67/00/952726700.db2.gz HQBSBBWLDLJZDW-GOEBONIOSA-N 0 1 380.412 0.022 20 0 GCADMN O=C(N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O)c1cnccn1 ZINC001571160755 952728522 /nfs/dbraw/zinc/72/85/22/952728522.db2.gz LSCILUXHPLDGJX-GOEBONIOSA-N 0 1 380.412 0.022 20 0 GCADMN Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn(C)n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162153 952739441 /nfs/dbraw/zinc/73/94/41/952739441.db2.gz MEPZBJRMGRDCIL-TXEJJXNPSA-N 0 1 380.416 0.192 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cnn1 ZINC001571162310 952741919 /nfs/dbraw/zinc/74/19/19/952741919.db2.gz PZGQROGLDBHLEM-CYBMUJFWSA-N 0 1 380.416 0.496 20 0 GCADMN O=C(c1c[nH]nc1C1CC1)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571165133 952747688 /nfs/dbraw/zinc/74/76/88/952747688.db2.gz CQFRFYCOKTXCQP-JTQLQIEISA-N 0 1 380.416 0.253 20 0 GCADMN O=C(c1cn[nH]c1)N1CCC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571165404 952751097 /nfs/dbraw/zinc/75/10/97/952751097.db2.gz CQIGWETVDJLKJD-QGZVFWFLSA-N 0 1 380.416 0.513 20 0 GCADMN Cn1ncc(C(=O)N[C@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)n1 ZINC001571166451 952761700 /nfs/dbraw/zinc/76/17/00/952761700.db2.gz RUQCXDTVNFFOKV-AWEZNQCLSA-N 0 1 380.416 0.179 20 0 GCADMN Cn1ncc(C(=O)N[C@@H]2CC23CCN(c2ccncc2-c2nn[nH]n2)CC3)n1 ZINC001571166452 952762456 /nfs/dbraw/zinc/76/24/56/952762456.db2.gz RUQCXDTVNFFOKV-CQSZACIVSA-N 0 1 380.416 0.179 20 0 GCADMN O=C(NC[C@]12CCC[C@H]1N(c1ccc(-c3nn[nH]n3)nc1)CC2)c1cnn[nH]1 ZINC001571166953 952768075 /nfs/dbraw/zinc/76/80/75/952768075.db2.gz ZECSJBSQYKKLNM-RHSMWYFYSA-N 0 1 380.416 0.559 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CCN1CCO[C@@H]1CC1(F)F ZINC001571170200 952784555 /nfs/dbraw/zinc/78/45/55/952784555.db2.gz FYKSHJLVLICUDT-SUZMYJTESA-N 0 1 381.387 0.812 20 0 GCADMN CN(C(=O)c1ccc(=O)[nH]c1)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571170213 952785059 /nfs/dbraw/zinc/78/50/59/952785059.db2.gz GFPOMHAWYSEPED-UHFFFAOYSA-N 0 1 381.400 0.498 20 0 GCADMN CCOc1ccc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571170364 952785162 /nfs/dbraw/zinc/78/51/62/952785162.db2.gz HNMNSNSYQQVGDM-GFCCVEGCSA-N 0 1 381.400 0.459 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001571171608 952794919 /nfs/dbraw/zinc/79/49/19/952794919.db2.gz TYVWSQMDWPLFKX-MNOVXSKESA-N 0 1 381.400 0.142 20 0 GCADMN C[C@@H](NC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CN(CCO[C@H]2CC2(F)F)C1 ZINC001571171881 952798051 /nfs/dbraw/zinc/79/80/51/952798051.db2.gz YSHAPOZYNMTQGJ-RNCFNFMXSA-N 0 1 381.387 0.669 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001571172002 952800433 /nfs/dbraw/zinc/80/04/33/952800433.db2.gz ZZZKCPAJHPDKII-KOLCDFICSA-N 0 1 381.400 0.659 20 0 GCADMN Cc1nn(C)c(NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)c1Br ZINC001571171977 952800745 /nfs/dbraw/zinc/80/07/45/952800745.db2.gz KBKOHAMNMKWCDR-ZCFIWIBFSA-N 0 1 381.198 0.462 20 0 GCADMN CO[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571172240 952804561 /nfs/dbraw/zinc/80/45/61/952804561.db2.gz QKZFDSLAUVMVHU-VXGBXAGGSA-N 0 1 380.474 0.670 20 0 GCADMN CO[C@H](C)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571172240 952804566 /nfs/dbraw/zinc/80/45/66/952804566.db2.gz QKZFDSLAUVMVHU-VXGBXAGGSA-N 0 1 380.474 0.670 20 0 GCADMN COc1cncc(C(=O)N2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)CC2)n1 ZINC001571174692 952813313 /nfs/dbraw/zinc/81/33/13/952813313.db2.gz FIBRNYSQTNNAOL-UHFFFAOYSA-N 0 1 381.400 0.331 20 0 GCADMN COc1ccnc(C(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571175389 952820798 /nfs/dbraw/zinc/82/07/98/952820798.db2.gz ULSYFVNKMQKRCT-LLVKDONJSA-N 0 1 381.400 0.411 20 0 GCADMN CN(C(=O)c1conc1C1CC1)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571175609 952823285 /nfs/dbraw/zinc/82/32/85/952823285.db2.gz XDCQWBJCSCRBBW-LLVKDONJSA-N 0 1 381.400 0.873 20 0 GCADMN COc1ccc(C(=O)NC2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001571175777 952826242 /nfs/dbraw/zinc/82/62/42/952826242.db2.gz ZMQGKGDEWXGDOO-UHFFFAOYSA-N 0 1 381.400 0.459 20 0 GCADMN O=C(N[C@@H]1CC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C1)c1cocn1 ZINC001571176155 952828998 /nfs/dbraw/zinc/82/89/98/952828998.db2.gz MUARFUCNFZNIRE-GRYCIOLGSA-N 0 1 381.400 0.680 20 0 GCADMN Cc1cnoc1C(=O)N1C[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571176289 952829948 /nfs/dbraw/zinc/82/99/48/952829948.db2.gz OAKUTULXEGBOJK-NEPJUHHUSA-N 0 1 381.400 0.552 20 0 GCADMN O=C(Cn1cc(-c2nn[nH]n2)nn1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC001571176346 952831229 /nfs/dbraw/zinc/83/12/29/952831229.db2.gz QDFYANAOBLCODQ-UHFFFAOYSA-N 0 1 381.400 0.011 20 0 GCADMN O=C(NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(=O)[nH]c1 ZINC001571176532 952831575 /nfs/dbraw/zinc/83/15/75/952831575.db2.gz STZCIFSSMHBYQF-LLVKDONJSA-N 0 1 381.400 0.404 20 0 GCADMN O=C(NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccc(=O)[nH]c1 ZINC001571176533 952831586 /nfs/dbraw/zinc/83/15/86/952831586.db2.gz STZCIFSSMHBYQF-NSHDSACASA-N 0 1 381.400 0.404 20 0 GCADMN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)c1ccn[nH]1)C2)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571176540 952833151 /nfs/dbraw/zinc/83/31/51/952833151.db2.gz UAUBBMVPEOKAMJ-WCQGTBRESA-N 0 1 381.400 0.341 20 0 GCADMN Cc1ncoc1C(=O)N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571176543 952833688 /nfs/dbraw/zinc/83/36/88/952833688.db2.gz UGKCWYLNZPFLPZ-NSHDSACASA-N 0 1 381.400 0.742 20 0 GCADMN O=C(c1cnoc1C1CC1)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571178368 952838481 /nfs/dbraw/zinc/83/84/81/952838481.db2.gz GROHABBKHBYDHN-UHFFFAOYSA-N 0 1 381.400 0.875 20 0 GCADMN O=C(c1cnco1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571178931 952850496 /nfs/dbraw/zinc/85/04/96/952850496.db2.gz YLLXQRSRJBMXFK-RYUDHWBXSA-N 0 1 381.400 0.776 20 0 GCADMN CC(C)Cn1cc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571181768 952865394 /nfs/dbraw/zinc/86/53/94/952865394.db2.gz YEVDYHGVQOAFDC-CQSZACIVSA-N 0 1 381.444 0.863 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nn1C ZINC001571183450 952878839 /nfs/dbraw/zinc/87/88/39/952878839.db2.gz AJJVUESRYQQERP-GFCCVEGCSA-N 0 1 381.444 0.875 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cn[nH]c1 ZINC001571183720 952881705 /nfs/dbraw/zinc/88/17/05/952881705.db2.gz IBZOKAZHHKYTON-OCCSQVGLSA-N 0 1 381.444 0.831 20 0 GCADMN C[C@H]1C[C@@H](NCc2cc3n(n2)CCC3)CN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571183686 952881930 /nfs/dbraw/zinc/88/19/30/952881930.db2.gz HMHBVVTZTBGECO-SMDDNHRTSA-N 0 1 381.444 0.730 20 0 GCADMN CCc1c(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)ccn1C ZINC001571183902 952884828 /nfs/dbraw/zinc/88/48/28/952884828.db2.gz MJMCCNZUQNFARA-LBPRGKRZSA-N 0 1 381.444 0.696 20 0 GCADMN CCc1cc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)n(C)n1 ZINC001571184082 952888293 /nfs/dbraw/zinc/88/82/93/952888293.db2.gz PVVDCWZQWAQDAI-LBPRGKRZSA-N 0 1 381.444 0.554 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001571184361 952891373 /nfs/dbraw/zinc/89/13/73/952891373.db2.gz XMVXZWDUQXFPBS-WBMJQRKESA-N 0 1 381.444 0.912 20 0 GCADMN CCn1cccc1C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571185281 952900748 /nfs/dbraw/zinc/90/07/48/952900748.db2.gz KIYPQGMHWOUZFO-ZDUSSCGKSA-N 0 1 381.444 0.864 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c(C)[nH]1 ZINC001571185485 952901864 /nfs/dbraw/zinc/90/18/64/952901864.db2.gz MGPVKNVYYARKGC-MFKMUULPSA-N 0 1 381.444 0.844 20 0 GCADMN CN(C[C@H]1CCN(C(=O)CCc2cn[nH]c2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571186611 952908087 /nfs/dbraw/zinc/90/80/87/952908087.db2.gz YLZOOOJALNKEFC-CQSZACIVSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1cc(N[C@@H](C)[C@H]2CCN(C(=O)c3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187664 952908845 /nfs/dbraw/zinc/90/88/45/952908845.db2.gz AIAVXMYHTMSSLB-STQMWFEESA-N 0 1 381.444 0.688 20 0 GCADMN Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)c2cncn2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188363 952913904 /nfs/dbraw/zinc/91/39/04/952913904.db2.gz JIUYNANUTLABDA-GXTWGEPZSA-N 0 1 381.444 0.736 20 0 GCADMN Cn1cnc(C(=O)NC[C@H]2CCCCN2Cc2cccc(-c3nn[nH]n3)c2)n1 ZINC001571188460 952914601 /nfs/dbraw/zinc/91/46/01/952914601.db2.gz AZOHTOIXIAPOEJ-OAHLLOKOSA-N 0 1 381.444 0.780 20 0 GCADMN Cc1cc(NCC[C@H]2CCN(C(=O)c3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188624 952917421 /nfs/dbraw/zinc/91/74/21/952917421.db2.gz MAWNIWLZHDDQMW-ZDUSSCGKSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1ncn(C)c1C(=O)N(C)C1CC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188838 952920602 /nfs/dbraw/zinc/92/06/02/952920602.db2.gz NQBGYHXGBPUYBF-UHFFFAOYSA-N 0 1 381.444 0.749 20 0 GCADMN Cc1cc(N2C[C@@H](NC(=O)c3ccnn3C)C(C)(C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188857 952920874 /nfs/dbraw/zinc/92/08/74/952920874.db2.gz OERWSRCUIMVHJV-OAHLLOKOSA-N 0 1 381.444 0.948 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@H]([C@H](C)Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571188875 952921789 /nfs/dbraw/zinc/92/17/89/952921789.db2.gz OQODINAAZYHCBM-KBPBESRZSA-N 0 1 381.444 0.538 20 0 GCADMN Cc1cc(NC2CCC(NC(=O)c3ccn(C)n3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188874 952922008 /nfs/dbraw/zinc/92/20/08/952922008.db2.gz OQJJCDXPWZEFQJ-UHFFFAOYSA-N 0 1 381.444 0.879 20 0 GCADMN Cn1nccc1CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@@H]12 ZINC001571189148 952924796 /nfs/dbraw/zinc/92/47/96/952924796.db2.gz NFANYRLPRBJOLI-CRAIPNDOSA-N 0 1 381.444 0.855 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571189594 952932373 /nfs/dbraw/zinc/93/23/73/952932373.db2.gz XYCBQSALQYUZBJ-ZFWWWQNUSA-N 0 1 381.444 0.598 20 0 GCADMN Cn1ccc(C(=O)N2CCCC[C@@H]2CCNc2ccncc2-c2nn[nH]n2)n1 ZINC001571189719 952933633 /nfs/dbraw/zinc/93/36/33/952933633.db2.gz SGCRJTNMYOGNNV-CYBMUJFWSA-N 0 1 381.444 0.914 20 0 GCADMN Cc1ncc(CN2CCC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)cn1 ZINC001571189900 952937476 /nfs/dbraw/zinc/93/74/76/952937476.db2.gz YXPIRDHDHMWUSA-UHFFFAOYSA-N 0 1 381.444 0.935 20 0 GCADMN O=C(Cc1ccc(F)cn1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571196998 952985529 /nfs/dbraw/zinc/98/55/29/952985529.db2.gz RCFJYAUQTYEWEX-CQSZACIVSA-N 0 1 382.403 0.863 20 0 GCADMN Cc1c[nH]c(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(-c5nn[nH]n5)cc4F)C[C@H]32)n1 ZINC001571196952 952986483 /nfs/dbraw/zinc/98/64/83/952986483.db2.gz QRRIDRRUFSVEEE-NHAGDIPZSA-N 0 1 382.403 0.898 20 0 GCADMN COc1cccc(CN[C@@H]2C[C@@H](C)N(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571198710 952992086 /nfs/dbraw/zinc/99/20/86/952992086.db2.gz DPNKNEXODYVZIC-BXUZGUMPSA-N 0 1 382.428 0.991 20 0 GCADMN CC[C@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571199917 953005546 /nfs/dbraw/zinc/00/55/46/953005546.db2.gz CRMQOGNLFBNNDP-JSGCOSHPSA-N 0 1 382.428 0.953 20 0 GCADMN Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1[O-] ZINC001571202066 953022189 /nfs/dbraw/zinc/02/21/89/953022189.db2.gz QNMVPUVCMKALSU-CYBMUJFWSA-N 0 1 382.428 0.856 20 0 GCADMN Cc1cc(CC(=O)N(C)C2CC(Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)no1 ZINC001571202348 953024135 /nfs/dbraw/zinc/02/41/35/953024135.db2.gz UFUFXRSREHLRRD-UHFFFAOYSA-N 0 1 382.428 0.932 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571204536 953029770 /nfs/dbraw/zinc/02/97/70/953029770.db2.gz AMFRIJFLKTYEAK-BXUZGUMPSA-N 0 1 382.432 0.173 20 0 GCADMN CC(C)(C)n1cnc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571204720 953032791 /nfs/dbraw/zinc/03/27/91/953032791.db2.gz DACIYYMPNZJZTQ-NSHDSACASA-N 0 1 382.432 0.357 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571204857 953034052 /nfs/dbraw/zinc/03/40/52/953034052.db2.gz DEFNDYGCDMWFTM-LBPRGKRZSA-N 0 1 382.432 0.833 20 0 GCADMN O=C(C1=CCOCC1)N1CCC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21 ZINC001571205006 953035071 /nfs/dbraw/zinc/03/50/71/953035071.db2.gz FKEOTLBTXYZTBR-UONOGXRCSA-N 0 1 382.428 0.431 20 0 GCADMN CCCn1nccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571205451 953038307 /nfs/dbraw/zinc/03/83/07/953038307.db2.gz JDMZMKOBLOUBCN-VXGBXAGGSA-N 0 1 382.432 0.400 20 0 GCADMN CCN(C(=O)c1nnn(C)n1)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571205992 953045209 /nfs/dbraw/zinc/04/52/09/953045209.db2.gz QIJPQSOOWVGKBX-AWEZNQCLSA-N 0 1 382.432 0.127 20 0 GCADMN CCn1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571206064 953045904 /nfs/dbraw/zinc/04/59/04/953045904.db2.gz CXAIJLYBBXBHBC-LBPRGKRZSA-N 0 1 382.432 0.580 20 0 GCADMN CC(C)n1nccc1C(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206228 953047992 /nfs/dbraw/zinc/04/79/92/953047992.db2.gz SKKZHSDJHDRRHB-UHFFFAOYSA-N 0 1 382.432 0.477 20 0 GCADMN CC[C@H]1CN(C(=O)c2c[nH]c(C)n2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571206174 953048009 /nfs/dbraw/zinc/04/80/09/953048009.db2.gz RZWIXEFHTZQION-NWDGAFQWSA-N 0 1 382.432 0.463 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CC[C@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571206251 953049323 /nfs/dbraw/zinc/04/93/23/953049323.db2.gz SQCSFRJFMLDHBY-CMPLNLGQSA-N 0 1 382.432 0.730 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)CCN1C(=O)CCc1cnc[nH]1 ZINC001571206340 953049873 /nfs/dbraw/zinc/04/98/73/953049873.db2.gz UCBSNWVCHOVZDE-RYUDHWBXSA-N 0 1 382.432 0.804 20 0 GCADMN CCn1cc(C(=O)N[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)cn1 ZINC001571206436 953051358 /nfs/dbraw/zinc/05/13/58/953051358.db2.gz GXGYZJJTOPYFBQ-LBPRGKRZSA-N 0 1 382.432 0.518 20 0 GCADMN Cc1c(C(=O)N2CC[C@@](C)(CNc3ccncc3-c3nn[nH]n3)C2)nnn1C ZINC001571206458 953051418 /nfs/dbraw/zinc/05/14/18/953051418.db2.gz HDBLKGAVUWYTIC-KRWDZBQOSA-N 0 1 382.432 0.085 20 0 GCADMN C[C@@H](C(=O)N1CCC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001571206476 953052251 /nfs/dbraw/zinc/05/22/51/953052251.db2.gz PYGGSKMDFQVRPM-STQMWFEESA-N 0 1 382.432 0.187 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CCC(C)(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571206553 953052786 /nfs/dbraw/zinc/05/27/86/953052786.db2.gz VHBBPBKCXNNJKD-UHFFFAOYSA-N 0 1 382.432 0.471 20 0 GCADMN CCn1cc(C(=O)N2C[C@H](C)[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571206847 953056666 /nfs/dbraw/zinc/05/66/66/953056666.db2.gz XZBQTOSAXRYFRR-NWDGAFQWSA-N 0 1 382.432 0.115 20 0 GCADMN Cc1[nH]nc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1C ZINC001571207116 953059976 /nfs/dbraw/zinc/05/99/76/953059976.db2.gz NIUPNZSXIRAMRX-NWDGAFQWSA-N 0 1 382.432 0.429 20 0 GCADMN Cc1c[nH]nc1C(=O)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207255 953060653 /nfs/dbraw/zinc/06/06/53/953060653.db2.gz PBWRODCGDAMLEM-LBPRGKRZSA-N 0 1 382.432 0.465 20 0 GCADMN Cc1c[nH]nc1C(=O)NC[C@@H]1CCCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571207257 953061400 /nfs/dbraw/zinc/06/14/00/953061400.db2.gz PBWWYKVVTKSVMT-LBPRGKRZSA-N 0 1 382.432 0.867 20 0 GCADMN CCn1nccc1C(=O)N[C@@H]1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207421 953062729 /nfs/dbraw/zinc/06/27/29/953062729.db2.gz RGBZEFYXLQLWHD-VXGBXAGGSA-N 0 1 382.432 0.448 20 0 GCADMN O=C(N[C@H]1CCCN(Cc2n[nH]c(C3CC3)n2)C1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001571209765 953066651 /nfs/dbraw/zinc/06/66/51/953066651.db2.gz DBLZUUHTYJBHPM-LBPRGKRZSA-N 0 1 382.432 0.585 20 0 GCADMN O=C(N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cncn1)C2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571209863 953068647 /nfs/dbraw/zinc/06/86/47/953068647.db2.gz HCSJAZSIAUEIDP-XQQFMLRXSA-N 0 1 382.432 0.069 20 0 GCADMN O=C(N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCn1cncn1)C2)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571209862 953068792 /nfs/dbraw/zinc/06/87/92/953068792.db2.gz HCSJAZSIAUEIDP-AVGNSLFASA-N 0 1 382.432 0.069 20 0 GCADMN O=C(Cn1cccn1)N1CCC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571210009 953069460 /nfs/dbraw/zinc/06/94/60/953069460.db2.gz LREIEISRTMHYGF-CYBMUJFWSA-N 0 1 382.432 0.016 20 0 GCADMN Cn1nncc1CN1CC[C@H]2CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC[C@H]21 ZINC001571210147 953070944 /nfs/dbraw/zinc/07/09/44/953070944.db2.gz MIKAPWWERXXUAJ-XHDPSFHLSA-N 0 1 382.432 0.060 20 0 GCADMN O=C(NCc1cn(C2CN(CC3CCC3)C2)nn1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571210575 953072805 /nfs/dbraw/zinc/07/28/05/953072805.db2.gz SSAVJDBFFKGSMH-UHFFFAOYSA-N 0 1 382.432 0.373 20 0 GCADMN Cc1nc(C(=O)N2CCCC[C@H]2CCNc2ccnc(-c3nn[nH]n3)n2)c[nH]1 ZINC001571211432 953076482 /nfs/dbraw/zinc/07/64/82/953076482.db2.gz AMUCOEOZJKHIPC-LBPRGKRZSA-N 0 1 382.432 0.607 20 0 GCADMN Cc1c(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)nnn1C ZINC001571211422 953076544 /nfs/dbraw/zinc/07/65/44/953076544.db2.gz AKPCFLNOYNCLTA-GFCCVEGCSA-N 0 1 382.432 0.406 20 0 GCADMN Cc1nc(N[C@H]2CCCN(C(=O)CCc3c[nH]nn3)C2)ccc1-c1nn[nH]n1 ZINC001571211814 953081439 /nfs/dbraw/zinc/08/14/39/953081439.db2.gz GJGYYZCYLPJSGY-ZDUSSCGKSA-N 0 1 382.432 0.724 20 0 GCADMN Cc1nc(C(=O)N2CC[C@@H](C)[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1 ZINC001571211897 953083108 /nfs/dbraw/zinc/08/31/08/953083108.db2.gz IICRXOUIBICIPD-ZYHUDNBSSA-N 0 1 382.432 0.320 20 0 GCADMN Cc1cn(C)nc1C(=O)NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571212332 953087457 /nfs/dbraw/zinc/08/74/57/953087457.db2.gz LTFFVMCIYOUIQL-GFCCVEGCSA-N 0 1 382.432 0.488 20 0 GCADMN Cc1nc(CN2CC[C@]3(NC(=O)c4cc(-c5nn[nH]n5)c[nH]4)CCC[C@H]23)n[nH]1 ZINC001571212699 953088903 /nfs/dbraw/zinc/08/89/03/953088903.db2.gz OIAICYMJXMLUKE-SUMWQHHRSA-N 0 1 382.432 0.548 20 0 GCADMN Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212686 953088938 /nfs/dbraw/zinc/08/89/38/953088938.db2.gz OEHDWAQOJCOJRS-LBPRGKRZSA-N 0 1 382.432 0.064 20 0 GCADMN Cn1cnc(C(=O)N2CCCCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571213142 953093099 /nfs/dbraw/zinc/09/30/99/953093099.db2.gz RIBYYUXLLZMOOK-GFCCVEGCSA-N 0 1 382.432 0.309 20 0 GCADMN Cn1cnc(C(=O)N2CCCCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571213143 953093202 /nfs/dbraw/zinc/09/32/02/953093202.db2.gz RIBYYUXLLZMOOK-LBPRGKRZSA-N 0 1 382.432 0.309 20 0 GCADMN Cc1nc(CC(=O)N[C@H]2CC[C@H](CNc3ccc(-c4nn[nH]n4)cn3)C2)n[nH]1 ZINC001571213491 953094881 /nfs/dbraw/zinc/09/48/81/953094881.db2.gz VCTIKZDPXWNRLU-AAEUAGOBSA-N 0 1 382.432 0.628 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CCC(CN(C)c2ncccc2-c2nn[nH]n2)CC1 ZINC001571213505 953094970 /nfs/dbraw/zinc/09/49/70/953094970.db2.gz VISDETNPOMTQOH-UHFFFAOYSA-N 0 1 382.432 0.677 20 0 GCADMN CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[nH]n3)nc1)C2 ZINC001571214056 953099322 /nfs/dbraw/zinc/09/93/22/953099322.db2.gz VWYICBRZSWBRMM-CRFBAAHOSA-N 0 1 382.472 0.831 20 0 GCADMN O=C([C@@H]1CCC(=O)N1)N1CC[C@@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001571218092 953113054 /nfs/dbraw/zinc/11/30/54/953113054.db2.gz LSEYYDFSCRMCTC-RQJHMYQMSA-N 0 1 382.837 0.268 20 0 GCADMN CS[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571218896 953120699 /nfs/dbraw/zinc/12/06/99/953120699.db2.gz SLFXSSZZZHKAMW-GHMZBOCLSA-N 0 1 382.515 0.997 20 0 GCADMN CS[C@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571218896 953120702 /nfs/dbraw/zinc/12/07/02/953120702.db2.gz SLFXSSZZZHKAMW-GHMZBOCLSA-N 0 1 382.515 0.997 20 0 GCADMN O=C(NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1F ZINC001571219959 953128400 /nfs/dbraw/zinc/12/84/00/953128400.db2.gz VDIUONPRJHFHPT-WDEREUQCSA-N 0 1 383.391 0.623 20 0 GCADMN CCc1cc(C(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)no1 ZINC001571222029 953130658 /nfs/dbraw/zinc/13/06/58/953130658.db2.gz AFEIHGGEVGTQKR-UHFFFAOYSA-N 0 1 383.416 0.782 20 0 GCADMN Cc1cocc1C(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571222217 953132150 /nfs/dbraw/zinc/13/21/50/953132150.db2.gz FYIUEJXWLNBCLB-GOSISDBHSA-N 0 1 383.412 0.664 20 0 GCADMN CN(CC1CCN(C(=O)Cc2ccon2)CC1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571222323 953133186 /nfs/dbraw/zinc/13/31/86/953133186.db2.gz DRIDSMDBSFCNTR-UHFFFAOYSA-N 0 1 383.416 0.562 20 0 GCADMN COc1cc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@@H]2C)nn1C ZINC001571222507 953135744 /nfs/dbraw/zinc/13/57/44/953135744.db2.gz HACTWBBKTIHVPK-QWRGUYRKSA-N 0 1 383.416 0.141 20 0 GCADMN COc1cncc(CN[C@@H]2CCCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n1 ZINC001571222698 953137426 /nfs/dbraw/zinc/13/74/26/953137426.db2.gz JMOWWCNSNYODFR-GFCCVEGCSA-N 0 1 383.416 0.388 20 0 GCADMN CCc1ocnc1C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571222985 953140341 /nfs/dbraw/zinc/14/03/41/953140341.db2.gz OMHZIMCOZOGDEI-UHFFFAOYSA-N 0 1 383.416 0.854 20 0 GCADMN CCc1ocnc1C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571223306 953143271 /nfs/dbraw/zinc/14/32/71/953143271.db2.gz STVGLDTWDRYYPS-LLVKDONJSA-N 0 1 383.416 0.593 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571223420 953143872 /nfs/dbraw/zinc/14/38/72/953143872.db2.gz QZDWQJZUPRRROL-YPMHNXCESA-N 0 1 383.416 0.348 20 0 GCADMN O=C(Cc1ccco1)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571223380 953144507 /nfs/dbraw/zinc/14/45/07/953144507.db2.gz QIKXYSBQDHOECE-UHFFFAOYSA-N 0 1 383.412 0.285 20 0 GCADMN Cc1conc1C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571224697 953150601 /nfs/dbraw/zinc/15/06/01/953150601.db2.gz DELVYFUFHWXZCK-LBPRGKRZSA-N 0 1 383.416 0.872 20 0 GCADMN Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)Nc3ccc(-c4nn[nH]n4)nc3)C2)n[nH]1 ZINC001571224906 953151518 /nfs/dbraw/zinc/15/15/18/953151518.db2.gz GFLVNOKJIIOQJY-XHDPSFHLSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1nc(C(=O)N2CC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)co1 ZINC001571224945 953152326 /nfs/dbraw/zinc/15/23/26/953152326.db2.gz HBFAJUSZEJDQDB-ZYHUDNBSSA-N 0 1 383.416 0.585 20 0 GCADMN Cc1ncc(C(=O)N(C)C2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)[nH]1 ZINC001571225239 953152480 /nfs/dbraw/zinc/15/24/80/953152480.db2.gz ITRWTYXRGJPPRT-UHFFFAOYSA-N 0 1 383.416 0.603 20 0 GCADMN Cc1nc(N[C@H](C)[C@H]2CN(C(=O)c3ccn[nH]3)CCO2)ccc1-c1nn[nH]n1 ZINC001571225619 953153619 /nfs/dbraw/zinc/15/36/19/953153619.db2.gz LRUWSTGQEGDTRG-BXUZGUMPSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1nc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)co1 ZINC001571225963 953155057 /nfs/dbraw/zinc/15/50/57/953155057.db2.gz PCJZQPCQWCMKMO-LBPRGKRZSA-N 0 1 383.416 0.988 20 0 GCADMN Cc1nonc1CC(=O)N1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001571226681 953156745 /nfs/dbraw/zinc/15/67/45/953156745.db2.gz VWGOKVIRIBHXHH-UHFFFAOYSA-N 0 1 383.416 0.543 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N[C@H](C)[C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1 ZINC001571226634 953156839 /nfs/dbraw/zinc/15/68/39/953156839.db2.gz UHXRBFHRKYEYHQ-RISCZKNCSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1cc(CC(=O)N[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)[nH]n1 ZINC001571226664 953156893 /nfs/dbraw/zinc/15/68/93/953156893.db2.gz VKGURUXSPSMMFJ-GXFFZTMASA-N 0 1 383.416 0.188 20 0 GCADMN Cc1cc(CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)no1 ZINC001571226687 953157126 /nfs/dbraw/zinc/15/71/26/953157126.db2.gz WAJKIMFARSWFAL-PWSUYJOCSA-N 0 1 383.416 0.409 20 0 GCADMN C[C@H](NC(=O)[C@H]1CCCC(=O)N1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571230809 953180691 /nfs/dbraw/zinc/18/06/91/953180691.db2.gz KTDONNKOPBAFPI-BLLLJJGKSA-N 0 1 383.456 0.472 20 0 GCADMN O=C(c1ccsn1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571230936 953182203 /nfs/dbraw/zinc/18/22/03/953182203.db2.gz NPQPIMUQQJKPKZ-JQWIXIFHSA-N 0 1 383.441 0.854 20 0 GCADMN COCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571231139 953183172 /nfs/dbraw/zinc/18/31/72/953183172.db2.gz UBBDMPHHEGHRCI-TUUVXOQKSA-N 0 1 383.456 0.890 20 0 GCADMN CCN1C[C@H](C(=O)NC[C@@H]2CCN2Cc2ccccc2-c2nn[nH]n2)CC1=O ZINC001571231472 953184934 /nfs/dbraw/zinc/18/49/34/953184934.db2.gz XOUDTSQYBUIGAE-CABCVRRESA-N 0 1 383.456 0.426 20 0 GCADMN O=C(N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C1CCOCC1 ZINC001571232045 953185281 /nfs/dbraw/zinc/18/52/81/953185281.db2.gz AQZCPRFJAHBQID-JKSUJKDBSA-N 0 1 383.456 0.950 20 0 GCADMN O=C([C@H]1CCNC(=O)C1)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571232335 953186661 /nfs/dbraw/zinc/18/66/61/953186661.db2.gz DXUWKPLMPGUDGF-INIZCTEOSA-N 0 1 383.456 0.427 20 0 GCADMN O=C([C@@H]1CCNC(=O)C1)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571232336 953186968 /nfs/dbraw/zinc/18/69/68/953186968.db2.gz DXUWKPLMPGUDGF-MRXNPFEDSA-N 0 1 383.456 0.427 20 0 GCADMN CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571233999 953197604 /nfs/dbraw/zinc/19/76/04/953197604.db2.gz KEGSBAAFIXXUGG-ZIAGYGMSSA-N 0 1 383.460 0.036 20 0 GCADMN CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571233999 953197607 /nfs/dbraw/zinc/19/76/07/953197607.db2.gz KEGSBAAFIXXUGG-ZIAGYGMSSA-N 0 1 383.460 0.036 20 0 GCADMN CN(c1cnc(-c2nnn[n-]2)cn1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001571234095 953198867 /nfs/dbraw/zinc/19/88/67/953198867.db2.gz NBTNQENTUQIXJR-UHFFFAOYSA-N 0 1 383.460 0.180 20 0 GCADMN CN(c1cnc(-c2nn[n-]n2)cn1)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001571234095 953198870 /nfs/dbraw/zinc/19/88/70/953198870.db2.gz NBTNQENTUQIXJR-UHFFFAOYSA-N 0 1 383.460 0.180 20 0 GCADMN O=C(NC[C@H]1CCCN1c1ccc(-c2nnn[n-]2)nn1)C12CCC[NH+]1CCC2 ZINC001571234246 953200276 /nfs/dbraw/zinc/20/02/76/953200276.db2.gz QUOZLWQDWVNCNQ-CYBMUJFWSA-N 0 1 383.460 0.370 20 0 GCADMN O=C(NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)C12CCC[NH+]1CCC2 ZINC001571234246 953200278 /nfs/dbraw/zinc/20/02/78/953200278.db2.gz QUOZLWQDWVNCNQ-CYBMUJFWSA-N 0 1 383.460 0.370 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001571234420 953202243 /nfs/dbraw/zinc/20/22/43/953202243.db2.gz WZEVZMQMKPYQHL-VNHYZAJKSA-N 0 1 383.460 0.239 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001571234420 953202244 /nfs/dbraw/zinc/20/22/44/953202244.db2.gz WZEVZMQMKPYQHL-VNHYZAJKSA-N 0 1 383.460 0.239 20 0 GCADMN O=C(c1ccncc1Cl)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571234664 953204217 /nfs/dbraw/zinc/20/42/17/953204217.db2.gz FLIYLDPFJCOJTB-UWVGGRQHSA-N 0 1 383.803 0.808 20 0 GCADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001571234774 953205450 /nfs/dbraw/zinc/20/54/50/953205450.db2.gz INARRFZGPQNCPV-LKFCYVNXSA-N 0 1 384.366 0.928 20 0 GCADMN C[C@@H](NCc1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CN(C(=O)C(F)F)CCO1 ZINC001571234811 953205879 /nfs/dbraw/zinc/20/58/79/953205879.db2.gz JLSWYOUIQGLUDQ-RNCFNFMXSA-N 0 1 384.362 0.976 20 0 GCADMN 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ZINC000262676768 961802195 /nfs/dbraw/zinc/80/21/95/961802195.db2.gz UJGBAFDHIDNKSA-MRXNPFEDSA-N 0 1 395.481 0.067 20 0 GCADMN CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001574008029 961913411 /nfs/dbraw/zinc/91/34/11/961913411.db2.gz SJGOVUDHMGBCEB-ACJLOTCBSA-N 0 1 385.461 0.630 20 0 GCADMN C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@]1(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO1 ZINC001574030225 962005457 /nfs/dbraw/zinc/00/54/57/962005457.db2.gz NFDPVHDLQOFBJR-PJIJBLCYSA-N 0 1 397.472 0.772 20 0 GCADMN C[NH+]1CCN(C2CCN(C(=O)NC[C@@H]3CCC4(CC(C(=O)[O-])C4)O3)CC2)CC1 ZINC001574030636 962010123 /nfs/dbraw/zinc/01/01/23/962010123.db2.gz RLLBVLHMZZHGCD-CMVHYPBASA-N 0 1 394.516 0.820 20 0 GCADMN C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)[O-])C1 ZINC001574030753 962012542 /nfs/dbraw/zinc/01/25/42/962012542.db2.gz QSWIVCGRJVJDOW-HNAYVOBHSA-N 0 1 378.425 0.536 20 0 GCADMN C[N@H+]1CCC[C@H](CCNC(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001574031221 962021411 /nfs/dbraw/zinc/02/14/11/962021411.db2.gz SEGOYUAJSXPNDC-AUUYWEPGSA-N 0 1 399.488 0.925 20 0 GCADMN CC(C)[N@H+](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001588918220 962350421 /nfs/dbraw/zinc/35/04/21/962350421.db2.gz SLWANZGAGBQHFH-UHFFFAOYSA-N 0 1 397.497 0.456 20 0 GCADMN CC(C)[N@@H+](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001588918220 962350436 /nfs/dbraw/zinc/35/04/36/962350436.db2.gz SLWANZGAGBQHFH-UHFFFAOYSA-N 0 1 397.497 0.456 20 0 GCADMN CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001588922654 962403174 /nfs/dbraw/zinc/40/31/74/962403174.db2.gz WKVAXGFOADPBMY-HZPDHXFCSA-N 0 1 391.516 0.899 20 0 GCADMN CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001588922652 962404309 /nfs/dbraw/zinc/40/43/09/962404309.db2.gz WKVAXGFOADPBMY-CVEARBPZSA-N 0 1 391.516 0.899 20 0 GCADMN CO[C@@H](C(=O)[O-])C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC001574104148 962417198 /nfs/dbraw/zinc/41/71/98/962417198.db2.gz FVGHHKLRNWGLFN-LLVKDONJSA-N 0 1 387.234 0.634 20 0 GCADMN O=C([O-])[C@]1([NH+]2CCN(C(=O)c3cnn(-c4ccc(F)cc4)n3)CC2)CCOC1 ZINC001348483662 962444968 /nfs/dbraw/zinc/44/49/68/962444968.db2.gz ZQDQAHUNRZXFEQ-SFHVURJKSA-N 0 1 389.387 0.408 20 0 GCADMN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(C(=O)[O-])CCOCC2)CC1=O ZINC001349386473 962465376 /nfs/dbraw/zinc/46/53/76/962465376.db2.gz ONXBEQIAYQLEEP-CABCVRRESA-N 0 1 381.473 0.317 20 0 GCADMN COC[C@@]1(C(=O)[O-])CCN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001574129608 962517329 /nfs/dbraw/zinc/51/73/29/962517329.db2.gz CSWNKZVFAGLCDD-UXHICEINSA-N 0 1 376.453 0.963 20 0 GCADMN O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001574669912 962546716 /nfs/dbraw/zinc/54/67/16/962546716.db2.gz XCKOWDCOKZYHAH-SJORKVTESA-N 0 1 382.482 0.461 20 0 GCADMN O=C([O-])[C@@H]1CS(=O)(=O)CCN1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001574669912 962546720 /nfs/dbraw/zinc/54/67/20/962546720.db2.gz XCKOWDCOKZYHAH-SJORKVTESA-N 0 1 382.482 0.461 20 0 GCADMN COC[C@]1(C(=O)[O-])C[N@@H+](C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCO1 ZINC001574147069 962626505 /nfs/dbraw/zinc/62/65/05/962626505.db2.gz RIKYNEKYXNNUPH-MSOLQXFVSA-N 0 1 388.461 0.550 20 0 GCADMN C[C@H](C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1)N1CCN(C)CC1 ZINC001517333773 962770036 /nfs/dbraw/zinc/77/00/36/962770036.db2.gz VMJMGTMMGSPYHZ-UTKZUKDTSA-N 0 1 388.512 0.858 20 0 GCADMN COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1 ZINC001574214187 962932480 /nfs/dbraw/zinc/93/24/80/962932480.db2.gz OEKHOBRGLGBOCF-NVXWUHKLSA-N 0 1 389.452 0.709 20 0 GCADMN COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H]2CCCN(CC(=O)[O-])C2=O)cc1 ZINC001574214187 962932493 /nfs/dbraw/zinc/93/24/93/962932493.db2.gz OEKHOBRGLGBOCF-NVXWUHKLSA-N 0 1 389.452 0.709 20 0 GCADMN CC[N@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H](C)C(=O)[O-] ZINC000662216484 968754730 /nfs/dbraw/zinc/75/47/30/968754730.db2.gz OXWUBMGJVHJGDR-CQSZACIVSA-N 0 1 377.441 0.570 20 0 GCADMN CC[N@@H+](CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)[C@H](C)C(=O)[O-] ZINC000662216484 968754739 /nfs/dbraw/zinc/75/47/39/968754739.db2.gz OXWUBMGJVHJGDR-CQSZACIVSA-N 0 1 377.441 0.570 20 0 GCADMN COC(=O)C1CC2(C1)CN(C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C[C@@H]2C(=O)[O-] ZINC000898813026 969412300 /nfs/dbraw/zinc/41/23/00/969412300.db2.gz NSWQTSZBXJNBTM-ZRCYASHVSA-N 0 1 379.457 0.909 20 0 GCADMN COC[C@]1(C(=O)[O-])CCN(C(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)C1 ZINC000902311581 969534028 /nfs/dbraw/zinc/53/40/28/969534028.db2.gz ITSKSJVRDZDVQD-PXNSSMCTSA-N 0 1 375.469 0.925 20 0 GCADMN O=C([O-])CN1CCCC[C@@H](NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1=O ZINC000902434774 969542894 /nfs/dbraw/zinc/54/28/94/969542894.db2.gz YZNRBQDGAHKVKY-SJORKVTESA-N 0 1 389.452 0.469 20 0 GCADMN O=C([O-])CN1CCCC[C@@H](NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1=O ZINC000902434774 969542901 /nfs/dbraw/zinc/54/29/01/969542901.db2.gz YZNRBQDGAHKVKY-SJORKVTESA-N 0 1 389.452 0.469 20 0 GCADMN O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](CC(=O)NCc3cc(F)cc(F)c3)CC2)C1 ZINC001261506519 969688873 /nfs/dbraw/zinc/68/88/73/969688873.db2.gz VJZYVPVOHYOTID-CYBMUJFWSA-N 0 1 395.406 0.979 20 0 GCADMN C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@H]1C(=O)[O-] ZINC001329041117 969711367 /nfs/dbraw/zinc/71/13/67/969711367.db2.gz JWXVSXRCLFDNNW-JKSUJKDBSA-N 0 1 390.488 0.741 20 0 GCADMN COCC[N@@H+](C)CCCNC(=O)N1C[C@H](C(=O)[O-])C[C@@H](c2cnn(C)c2)C1 ZINC001348945478 969767567 /nfs/dbraw/zinc/76/75/67/969767567.db2.gz VGZPXGTWRJKVGE-HUUCEWRRSA-N 0 1 381.477 0.588 20 0 GCADMN C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@]3(C(=O)[O-])CCCO3)cc2)CC1 ZINC001604220581 972704333 /nfs/dbraw/zinc/70/43/33/972704333.db2.gz CEXPXTQHZFEGTM-LJQANCHMSA-N 0 1 375.425 0.324 20 0 GCADMN C[NH+]1CCN(c2ccnc(NC(=O)[C@H]3CCCN(CC(=O)[O-])C3=O)c2)CC1 ZINC001604227748 972726162 /nfs/dbraw/zinc/72/61/62/972726162.db2.gz LQTXZQMAXRDZNE-CQSZACIVSA-N 0 1 375.429 0.095 20 0 GCADMN CC(C)N(CCCNC(=O)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1)S(C)(=O)=O ZINC001603368246 972878759 /nfs/dbraw/zinc/87/87/59/972878759.db2.gz PFAMRQKLFLUEFR-KGLIPLIRSA-N 0 1 377.507 0.205 20 0 GCADMN C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC001603368914 972890554 /nfs/dbraw/zinc/89/05/54/972890554.db2.gz VDDZDQYHWOEVGS-VNHYZAJKSA-N 0 1 397.497 0.424 20 0 GCADMN COC(=O)CC[N@H+](CC(=O)[O-])C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001604310954 972967423 /nfs/dbraw/zinc/96/74/23/972967423.db2.gz JZRHCIRCJQFZPZ-AWEZNQCLSA-N 0 1 388.461 0.944 20 0 GCADMN C[C@H]1CC[N@@H+](CCNC(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001603429844 973170125 /nfs/dbraw/zinc/17/01/25/973170125.db2.gz GZIOFQIYPGWUFQ-UGSOOPFHSA-N 0 1 385.461 0.535 20 0 GCADMN C[C@@H]1C[N@H+](CCCCNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)C[C@H](C)O1 ZINC001603460436 973288791 /nfs/dbraw/zinc/28/87/91/973288791.db2.gz FQGZBKKCUVBNTC-OKILXGFUSA-N 0 1 390.502 0.272 20 0 GCADMN O=C([O-])CN1CC[C@@H](N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC001606231865 973495333 /nfs/dbraw/zinc/49/53/33/973495333.db2.gz NASVNXAPSBXWKQ-RBUKOAKNSA-N 0 1 386.496 0.564 20 0 GCADMN COC[C@]1(C(=O)[O-])CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC001604541518 973523286 /nfs/dbraw/zinc/52/32/86/973523286.db2.gz HCRIDIPKWKGOKP-KRWDZBQOSA-N 0 1 396.444 0.086 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)C1=O ZINC001606253278 973573095 /nfs/dbraw/zinc/57/30/95/973573095.db2.gz NPQRUZLOIYGWBM-CVEARBPZSA-N 0 1 375.425 0.515 20 0 GCADMN Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](CCc3ccc(S(N)(=O)=O)cc3)C2)cn1 ZINC001605488309 973617776 /nfs/dbraw/zinc/61/77/76/973617776.db2.gz GJXVHPBRIMSPFZ-LSDHHAIUSA-N 0 1 392.481 0.800 20 0 GCADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](CC(=O)N3CC(=O)Nc4ccccc43)C2)cn1 ZINC001605489571 973633928 /nfs/dbraw/zinc/63/39/28/973633928.db2.gz TWELJFWAOSSZPU-KBPBESRZSA-N 0 1 397.435 0.896 20 0 GCADMN Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](CC(=O)N3CC(=O)Nc4ccccc43)C2)cn1 ZINC001605489571 973633939 /nfs/dbraw/zinc/63/39/39/973633939.db2.gz TWELJFWAOSSZPU-KBPBESRZSA-N 0 1 397.435 0.896 20 0 GCADMN COCCC[N@@H+](C)CCNC(=O)N1CCC(N2C[C@@H](C(=O)[O-])CC2=O)CC1 ZINC001604578287 973663889 /nfs/dbraw/zinc/66/38/89/973663889.db2.gz BXXCEBXVRIYXFX-AWEZNQCLSA-N 0 1 384.477 0.062 20 0 GCADMN O=C([O-])Cn1cccc(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1=O ZINC001606355271 973808737 /nfs/dbraw/zinc/80/87/37/973808737.db2.gz NIFZFIYPNBRNGP-QGZVFWFLSA-N 0 1 399.447 0.954 20 0 GCADMN CCC1(N2CCOCC2)CCN(C(=O)NC2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001603616966 973898452 /nfs/dbraw/zinc/89/84/52/973898452.db2.gz LOEVEARXAAZVKI-UHFFFAOYSA-N 0 1 382.505 0.822 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001605628054 973973396 /nfs/dbraw/zinc/97/33/96/973973396.db2.gz UTJXXNPJMDATNM-KBXCAEBGSA-N 0 1 376.413 0.502 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC001605628054 973973399 /nfs/dbraw/zinc/97/33/99/973973399.db2.gz UTJXXNPJMDATNM-KBXCAEBGSA-N 0 1 376.413 0.502 20 0 GCADMN COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+]C1(C(=O)[O-])CCOCC1 ZINC001604773159 973998552 /nfs/dbraw/zinc/99/85/52/973998552.db2.gz GBCFLWGKCZYAIH-UHFFFAOYSA-N 0 1 379.413 0.282 20 0 GCADMN C[C@@H]1C[N@@H+](CCCNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)CCCO1 ZINC000431372757 974063038 /nfs/dbraw/zinc/06/30/38/974063038.db2.gz XPNLWOOJOZAWKL-CQSZACIVSA-N 0 1 386.470 0.929 20 0 GCADMN COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001604828918 974071245 /nfs/dbraw/zinc/07/12/45/974071245.db2.gz HLYGFVMDPSJVRB-WDEREUQCSA-N 0 1 385.442 0.324 20 0 GCADMN COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1 ZINC001604828918 974071254 /nfs/dbraw/zinc/07/12/54/974071254.db2.gz HLYGFVMDPSJVRB-WDEREUQCSA-N 0 1 385.442 0.324 20 0 GCADMN 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KHOAINSLPMGRPQ-UWVGGRQHSA-N 0 1 376.818 0.293 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2C[C@H](c3cccc(OC)c3)CC2=O)C[C@H]1C(=O)[O-] ZINC001598827339 996397326 /nfs/dbraw/zinc/39/73/26/996397326.db2.gz KQFULANGGWZJEB-FVQBIDKESA-N 0 1 376.409 0.774 20 0 GCADMN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC001598831204 996439039 /nfs/dbraw/zinc/43/90/39/996439039.db2.gz RGAGHKBRCNFKJR-WMZOPIPTSA-N 0 1 390.436 0.270 20 0 GCADMN CC1(C)CC2(CC(NC(=O)N3CC[NH+]([C@@]4(C(=O)[O-])CCOC4)CC3)C2)CO1 ZINC001593870130 996679255 /nfs/dbraw/zinc/67/92/55/996679255.db2.gz KHQMCOJANQBPQR-FPCQFERPSA-N 0 1 381.473 0.905 20 0 GCADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC001599380507 996833771 /nfs/dbraw/zinc/83/37/71/996833771.db2.gz IUWLHRRXPVFSPI-HOCLYGCPSA-N 0 1 396.484 0.910 20 0 GCADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)CN1CCN(c2[nH+]ccn2C)CC1 ZINC001599381261 996855186 /nfs/dbraw/zinc/85/51/86/996855186.db2.gz VIJZJXGREDHHDS-HNNXBMFYSA-N 0 1 390.440 0.689 20 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HVENYBWGLJROKZ-LBPRGKRZSA-N 0 1 383.470 0.518 20 0 GCADMN COCc1csc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c1 ZINC001599299825 997211009 /nfs/dbraw/zinc/21/10/09/997211009.db2.gz HVENYBWGLJROKZ-LBPRGKRZSA-N 0 1 383.470 0.518 20 0 GCADMN COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)cc1OC ZINC001599508993 997263024 /nfs/dbraw/zinc/26/30/24/997263024.db2.gz BPIXLDFRNBVNHH-QEJZJMRPSA-N 0 1 377.441 0.724 20 0 GCADMN COC(=O)c1[nH]c(C)c(C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c1C ZINC001598909527 997333442 /nfs/dbraw/zinc/33/34/42/997333442.db2.gz HARKOWCYBXRXFG-GOSISDBHSA-N 0 1 379.413 0.420 20 0 GCADMN COc1cc(C[N@H+]2CCSC[C@H](C(=O)[O-])C2)cc(OC)c1OCC(N)=O ZINC001599408108 997368818 /nfs/dbraw/zinc/36/88/18/997368818.db2.gz HQOFAZPEZLYYQL-GFCCVEGCSA-N 0 1 384.454 0.818 20 0 GCADMN COC(=O)c1c(C)[nH]c(C(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c1C ZINC001598911131 997373081 /nfs/dbraw/zinc/37/30/81/997373081.db2.gz LMNQHWVKBNJPAW-GOSISDBHSA-N 0 1 379.413 0.420 20 0 GCADMN 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COC(=O)c1cc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)ccc1C(=O)[O-] ZINC001598942340 997998272 /nfs/dbraw/zinc/99/82/72/997998272.db2.gz DIQLMFNXONKKSV-NHYWBVRUSA-N 0 1 378.429 0.927 20 0 GCADMN COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)C1 ZINC001599240891 998039861 /nfs/dbraw/zinc/03/98/61/998039861.db2.gz UFQILLBDUZFESY-INIZCTEOSA-N 0 1 375.425 0.106 20 0 GCADMN COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)C1 ZINC001599241214 998046372 /nfs/dbraw/zinc/04/63/72/998046372.db2.gz WBVPFEXKWKVWTO-GFCCVEGCSA-N 0 1 381.454 0.882 20 0 GCADMN CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)N2CC[NH+](CC(=O)[O-])CC2)C1 ZINC001599136142 998046649 /nfs/dbraw/zinc/04/66/49/998046649.db2.gz ZWCFSQGZKKZTLZ-UGSOOPFHSA-N 0 1 385.461 0.630 20 0 GCADMN COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C[C@@H]1C ZINC001599241766 998056876 /nfs/dbraw/zinc/05/68/76/998056876.db2.gz JFFLOKHJRFAJDW-OWCLPIDISA-N 0 1 383.489 0.657 20 0 GCADMN 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COc1cc(S(=O)(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1C(=O)[O-] ZINC001599458932 998236864 /nfs/dbraw/zinc/23/68/64/998236864.db2.gz RNABCAAXDYMXAC-UHFFFAOYSA-N 0 1 385.486 0.698 20 0 GCADMN COc1ccc(CNC(=O)C(=O)N2CC[N@H+](CCC(=O)[O-])C[C@@H]2C)c(F)c1 ZINC001599563419 998242691 /nfs/dbraw/zinc/24/26/91/998242691.db2.gz VMXMSQBFVNYEGG-LBPRGKRZSA-N 0 1 381.404 0.458 20 0 GCADMN COc1ccc(CNC(=O)C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)c(F)c1 ZINC001599563419 998242703 /nfs/dbraw/zinc/24/27/03/998242703.db2.gz VMXMSQBFVNYEGG-LBPRGKRZSA-N 0 1 381.404 0.458 20 0 GCADMN COc1ccc(CNC(=O)N2CC[NH+]([C@]3(C(=O)[O-])CCOC3)CC2)c(OC)n1 ZINC001599568955 998333698 /nfs/dbraw/zinc/33/36/98/998333698.db2.gz UALKAAGUWWIBEE-GOSISDBHSA-N 0 1 394.428 0.170 20 0 GCADMN COC(=O)c1ccc(C(=O)[O-])c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1 ZINC001598961742 998345671 /nfs/dbraw/zinc/34/56/71/998345671.db2.gz WSINLLKNFOMYBG-WLRWDXFRSA-N 0 1 389.408 0.710 20 0 GCADMN 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ZINC000737185639 598260275 /nfs/dbraw/zinc/26/02/75/598260275.db2.gz ABTVIRXOQHGVHI-VIFPVBQESA-N 0 1 379.446 0.140 20 0 GCADMN CC(C)N(C)CCNC(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735857213 598301786 /nfs/dbraw/zinc/30/17/86/598301786.db2.gz ORZHXWMSQNXUQK-UHFFFAOYSA-N 0 1 380.474 0.238 20 0 GCADMN CC[C@@H]1CN(CC(=O)NCc2cccc(-c3nn[nH]n3)c2)CCN1C[C@H](C)O ZINC000736410557 598343166 /nfs/dbraw/zinc/34/31/66/598343166.db2.gz OOKCZWVZBYCWRE-WMLDXEAASA-N 0 1 387.488 0.260 20 0 GCADMN CC[C@H]1CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@H](C)O ZINC000736411652 598343789 /nfs/dbraw/zinc/34/37/89/598343789.db2.gz RJZRIMZWNITZMK-YOEHRIQHSA-N 0 1 387.488 0.260 20 0 GCADMN O=C(CN1CCC[C@H](Cn2cncn2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737875694 598351470 /nfs/dbraw/zinc/35/14/70/598351470.db2.gz LTOWMZVIKBHPNX-HNNXBMFYSA-N 0 1 381.444 0.487 20 0 GCADMN O=C1[C@@H](N2CCC[C@@H](Cn3cncn3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289577 598369145 /nfs/dbraw/zinc/36/91/45/598369145.db2.gz JCSHEQQWBLCDMX-PBHICJAKSA-N 0 1 393.455 0.976 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1-c1nn[n-]n1 ZINC000737187774 598425040 /nfs/dbraw/zinc/42/50/40/598425040.db2.gz USDZBBKESFVKCO-JTQLQIEISA-N 0 1 375.458 1.000 20 0 GCADMN CS(=O)(=O)NCCN1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000737167559 598427545 /nfs/dbraw/zinc/42/75/45/598427545.db2.gz CRGUEQZQGBLYGE-UHFFFAOYSA-N 0 1 393.473 0.066 20 0 GCADMN CCN(Cc1ccc(C[NH+](C)C)cc1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736557861 598457720 /nfs/dbraw/zinc/45/77/20/598457720.db2.gz CLKJJWHNPZROJN-UHFFFAOYSA-N 0 1 398.471 0.352 20 0 GCADMN CN1CCN(c2ncccc2CNC(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000736868606 598461907 /nfs/dbraw/zinc/46/19/07/598461907.db2.gz VCWOPOQESNOMNW-UHFFFAOYSA-N 0 1 379.428 0.339 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000738144230 598462974 /nfs/dbraw/zinc/46/29/74/598462974.db2.gz KJAZTMKJJMUCDR-SNVBAGLBSA-N 0 1 375.820 0.812 20 0 GCADMN O=C([C@@H]1CCCCN1CCOc1ccccc1-c1nn[nH]n1)N1CCOCC1 ZINC000737793052 598463566 /nfs/dbraw/zinc/46/35/66/598463566.db2.gz VQUYRTCAFQEASI-INIZCTEOSA-N 0 1 386.456 0.959 20 0 GCADMN COCC[N@H+]1CC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)C1 ZINC000737008007 598466376 /nfs/dbraw/zinc/46/63/76/598466376.db2.gz RPDCGSKIWKDQFN-ZDUSSCGKSA-N 0 1 389.460 0.354 20 0 GCADMN COCC[N@@H+]1CC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737008007 598466377 /nfs/dbraw/zinc/46/63/77/598466377.db2.gz RPDCGSKIWKDQFN-ZDUSSCGKSA-N 0 1 389.460 0.354 20 0 GCADMN COCC[N@H+]1CC[C@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737008007 598466378 /nfs/dbraw/zinc/46/63/78/598466378.db2.gz RPDCGSKIWKDQFN-ZDUSSCGKSA-N 0 1 389.460 0.354 20 0 GCADMN O=C(CCN1CCCC1=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738304445 598500755 /nfs/dbraw/zinc/50/07/55/598500755.db2.gz YYRXUYFBWGYEGR-UHFFFAOYSA-N 0 1 397.483 0.914 20 0 GCADMN O=C1N=NC(S(=O)(=O)Cc2cccc(-c3nn[nH]n3)c2)N1C[C@@H]1CCCO1 ZINC000738328821 598517039 /nfs/dbraw/zinc/51/70/39/598517039.db2.gz JZOUEPWUNAOEAL-LBPRGKRZSA-N 0 1 391.413 0.317 20 0 GCADMN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCCc2ccccc21 ZINC000737894718 598526957 /nfs/dbraw/zinc/52/69/57/598526957.db2.gz JKNXVKFLLFSUIB-CYBMUJFWSA-N 0 1 393.455 0.674 20 0 GCADMN COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c(SC)[nH]c1=O ZINC000737008873 598529992 /nfs/dbraw/zinc/52/99/92/598529992.db2.gz WFZPJUKIBDNCEE-SNVBAGLBSA-N 0 1 393.473 0.530 20 0 GCADMN COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000737008873 598529993 /nfs/dbraw/zinc/52/99/93/598529993.db2.gz WFZPJUKIBDNCEE-SNVBAGLBSA-N 0 1 393.473 0.530 20 0 GCADMN COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c(SC)[nH]c1=O ZINC000737008873 598529994 /nfs/dbraw/zinc/52/99/94/598529994.db2.gz WFZPJUKIBDNCEE-SNVBAGLBSA-N 0 1 393.473 0.530 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1-c1nnn[n-]1 ZINC000737186574 598541983 /nfs/dbraw/zinc/54/19/83/598541983.db2.gz JRVJIJOTQHSFQH-SECBINFHSA-N 0 1 375.458 0.903 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1-c1nn[n-]n1 ZINC000737186574 598541984 /nfs/dbraw/zinc/54/19/84/598541984.db2.gz JRVJIJOTQHSFQH-SECBINFHSA-N 0 1 375.458 0.903 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1-c1nn[n-]n1 ZINC000737186574 598541985 /nfs/dbraw/zinc/54/19/85/598541985.db2.gz JRVJIJOTQHSFQH-SECBINFHSA-N 0 1 375.458 0.903 20 0 GCADMN CCS(=O)(=O)NCCN1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736663154 598592981 /nfs/dbraw/zinc/59/29/81/598592981.db2.gz DIAOHJZIFHEZNH-UHFFFAOYSA-N 0 1 379.490 0.318 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000737488885 598600571 /nfs/dbraw/zinc/60/05/71/598600571.db2.gz ZMAQPGOCSQMQDX-CYBMUJFWSA-N 0 1 383.460 0.621 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000737488885 598600573 /nfs/dbraw/zinc/60/05/73/598600573.db2.gz ZMAQPGOCSQMQDX-CYBMUJFWSA-N 0 1 383.460 0.621 20 0 GCADMN O=C(Cn1cccc(-c2nn[nH]n2)c1=O)Nc1ccccc1N1CCCC1=O ZINC000737986082 598676676 /nfs/dbraw/zinc/67/66/76/598676676.db2.gz AUQFEJIGWAULEY-UHFFFAOYSA-N 0 1 379.380 0.794 20 0 GCADMN Cc1ccc(NC(=O)CN(C)C(=O)Cn2cccc(-c3nn[nH]n3)c2=O)cc1 ZINC000737356871 598676929 /nfs/dbraw/zinc/67/69/29/598676929.db2.gz TWWMEZSIDLPNEP-UHFFFAOYSA-N 0 1 381.396 0.434 20 0 GCADMN O=C(CCn1ccnn1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000737861621 598684024 /nfs/dbraw/zinc/68/40/24/598684024.db2.gz HDICQYFJCHRDGX-UHFFFAOYSA-N 0 1 384.404 0.063 20 0 GCADMN O=S(=O)(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738342843 598693760 /nfs/dbraw/zinc/69/37/60/598693760.db2.gz LWNSCSFPBPSCRC-WDEREUQCSA-N 0 1 382.421 0.147 20 0 GCADMN C[C@H]1CCCCN1CC(N)=NOCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736265817 598700260 /nfs/dbraw/zinc/70/02/60/598700260.db2.gz DFKCBLOWZXKXRI-ZDUSSCGKSA-N 0 1 386.460 0.856 20 0 GCADMN O=C(NCCNc1ccc(-c2nn[nH]n2)cn1)c1nnc2ccccc2c1O ZINC000738078600 598719695 /nfs/dbraw/zinc/71/96/95/598719695.db2.gz SQUMHRXNSQZPKF-UHFFFAOYSA-N 0 1 377.368 0.752 20 0 GCADMN Cn1nnnc1Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Br)ccc21 ZINC000737626792 598723315 /nfs/dbraw/zinc/72/33/15/598723315.db2.gz LEUBLUBWYFOCIS-UHFFFAOYSA-N 0 1 388.189 0.516 20 0 GCADMN O=C(CN1CCC[C@H](C(=O)N2CCCC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737874420 598728437 /nfs/dbraw/zinc/72/84/37/598728437.db2.gz CGHDOHPVLDUQPQ-KRWDZBQOSA-N 0 1 397.483 0.817 20 0 GCADMN CC[NH+](CC)CC(=O)N1CCN(c2snc(Cl)c2-c2nn[n-]n2)CC1 ZINC000736534812 598755790 /nfs/dbraw/zinc/75/57/90/598755790.db2.gz RNNZUNYSRWIMOO-UHFFFAOYSA-N 0 1 384.897 0.967 20 0 GCADMN CNC(=O)[C@@H]1CCCN1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736870797 598760596 /nfs/dbraw/zinc/76/05/96/598760596.db2.gz LQZUWWNIYGFKDY-NSHDSACASA-N 0 1 389.485 0.956 20 0 GCADMN O=C1[C@@H]([NH2+]C[C@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1c1ccccc1F ZINC000738294967 598778638 /nfs/dbraw/zinc/77/86/38/598778638.db2.gz GRLTXGPAQNLFIT-FZMZJTMJSA-N 0 1 397.418 0.639 20 0 GCADMN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1c1ccccc1F ZINC000738294964 598778893 /nfs/dbraw/zinc/77/88/93/598778893.db2.gz GRLTXGPAQNLFIT-BXUZGUMPSA-N 0 1 397.418 0.639 20 0 GCADMN O=C(CN1CCN([C@@H]2CCC[C@H]2O)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737871877 598781487 /nfs/dbraw/zinc/78/14/87/598781487.db2.gz CENNOQWSHSYERD-IAGOWNOFSA-N 0 1 385.472 0.014 20 0 GCADMN Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3C)CCO2)n[nH]1 ZINC000737452802 599294294 /nfs/dbraw/zinc/29/42/94/599294294.db2.gz LSWMDIZUMRPRSN-GFCCVEGCSA-N 0 1 390.429 0.364 20 0 GCADMN Cc1nc([C@H]2CN(S(=O)(=O)c3ccc(-c4nn[nH]n4)cc3F)CCO2)n[nH]1 ZINC000737453981 599294369 /nfs/dbraw/zinc/29/43/69/599294369.db2.gz UIIXVXOSQWKICR-LLVKDONJSA-N 0 1 394.392 0.195 20 0 GCADMN COc1ccc(NS(=O)(=O)c2ccccc2-c2nn[nH]n2)cc1-n1cnnn1 ZINC000821839796 599303733 /nfs/dbraw/zinc/30/37/33/599303733.db2.gz YSJRWSUTTMKKME-UHFFFAOYSA-N 0 1 399.396 0.652 20 0 GCADMN C[C@H](N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736133286 599320564 /nfs/dbraw/zinc/32/05/64/599320564.db2.gz RGKQXFOXMKVEIL-VBNZEHGJSA-N 0 1 392.485 0.015 20 0 GCADMN C[C@H](N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736133285 599320866 /nfs/dbraw/zinc/32/08/66/599320866.db2.gz RGKQXFOXMKVEIL-RCBQFDQVSA-N 0 1 392.485 0.015 20 0 GCADMN CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)[C@H]1CCOC1 ZINC000736767902 599324009 /nfs/dbraw/zinc/32/40/09/599324009.db2.gz TYHQRKSXQAIKKF-HNNXBMFYSA-N 0 1 380.474 0.349 20 0 GCADMN Cc1nc(CN2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000737477122 599344088 /nfs/dbraw/zinc/34/40/88/599344088.db2.gz JXZGNRDWQUALIV-SREVYHEPSA-N 0 1 379.428 0.651 20 0 GCADMN Cc1nc(CN2CCN(C(=O)C=Cc3ccccc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000737477123 599344167 /nfs/dbraw/zinc/34/41/67/599344167.db2.gz JXZGNRDWQUALIV-VOTSOKGWSA-N 0 1 379.428 0.651 20 0 GCADMN COCCCN(C)CCNS(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000821687081 599352239 /nfs/dbraw/zinc/35/22/39/599352239.db2.gz NTAUPOLSBNTVLO-UHFFFAOYSA-N 0 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CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000829133999 601357582 /nfs/dbraw/zinc/35/75/82/601357582.db2.gz JLNYDNZKIAEEIQ-WCQYABFASA-N 0 1 381.404 0.766 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000829133999 601357583 /nfs/dbraw/zinc/35/75/83/601357583.db2.gz JLNYDNZKIAEEIQ-WCQYABFASA-N 0 1 381.404 0.766 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)CC[N@@H+]1C[C@@H](C)O ZINC000829134498 601357974 /nfs/dbraw/zinc/35/79/74/601357974.db2.gz ZKFMKMXNKBFPJR-TZMCWYRMSA-N 0 1 377.441 0.935 20 0 GCADMN CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000829134498 601357975 /nfs/dbraw/zinc/35/79/75/601357975.db2.gz ZKFMKMXNKBFPJR-TZMCWYRMSA-N 0 1 377.441 0.935 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000829133986 601358002 /nfs/dbraw/zinc/35/80/02/601358002.db2.gz IXEBFXFBZGIDMW-HIFRSBDPSA-N 0 1 393.440 0.392 20 0 GCADMN CC[C@H]1CN(C(=O)C(=O)Nc2cccc(OCC(=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000829133986 601358004 /nfs/dbraw/zinc/35/80/04/601358004.db2.gz IXEBFXFBZGIDMW-HIFRSBDPSA-N 0 1 393.440 0.392 20 0 GCADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000832900377 601358111 /nfs/dbraw/zinc/35/81/11/601358111.db2.gz AGKHNOMCXTWJHH-KBPBESRZSA-N 0 1 393.440 0.310 20 0 GCADMN Cc1cc(OCC(=O)[O-])ccc1NC(=O)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000832900377 601358113 /nfs/dbraw/zinc/35/81/13/601358113.db2.gz AGKHNOMCXTWJHH-KBPBESRZSA-N 0 1 393.440 0.310 20 0 GCADMN COc1cc(C(=O)[O-])cc(NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1OC ZINC000831882476 601359733 /nfs/dbraw/zinc/35/97/33/601359733.db2.gz CMRDOGXNLYYVCY-GFCCVEGCSA-N 0 1 377.397 0.647 20 0 GCADMN C[C@@H]1C[N@@H+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])C[C@@H]1N1CCOCC1 ZINC000828431759 601360150 /nfs/dbraw/zinc/36/01/50/601360150.db2.gz LAUDIYFNYTVUFL-LZQZEXGQSA-N 0 1 387.480 0.677 20 0 GCADMN CC[C@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000828890430 601368737 /nfs/dbraw/zinc/36/87/37/601368737.db2.gz FUZMNWJJQXNSEY-GFCCVEGCSA-N 0 1 382.392 0.769 20 0 GCADMN O=C([O-])Nc1ccc(NC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000833286408 601372661 /nfs/dbraw/zinc/37/26/61/601372661.db2.gz RMMFLCSCDIRCDK-ZDUSSCGKSA-N 0 1 376.413 0.896 20 0 GCADMN COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CCC(=O)NCC(=O)[O-])C2=O)c1 ZINC000832088002 601378251 /nfs/dbraw/zinc/37/82/51/601378251.db2.gz GYWOWLNJWBPWBQ-HNNXBMFYSA-N 0 1 379.413 0.332 20 0 GCADMN CNC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)[O-] ZINC000830974460 601379669 /nfs/dbraw/zinc/37/96/69/601379669.db2.gz AEWLYOMYELUSPH-WDEREUQCSA-N 0 1 379.413 0.812 20 0 GCADMN CNC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C(=O)OC ZINC000830975955 601380214 /nfs/dbraw/zinc/38/02/14/601380214.db2.gz YXIXBTCWXLKWAA-MNOVXSKESA-N 0 1 379.413 0.812 20 0 GCADMN 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ZINC000830596544 601482643 /nfs/dbraw/zinc/48/26/43/601482643.db2.gz SJZGALFOJNLUIQ-QGZVFWFLSA-N 0 1 380.376 0.150 20 0 GCADMN C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000830596543 601482683 /nfs/dbraw/zinc/48/26/83/601482683.db2.gz SJZGALFOJNLUIQ-KRWDZBQOSA-N 0 1 380.376 0.150 20 0 GCADMN COC(=O)Cc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC(=O)[O-])CC1 ZINC000831189318 601483241 /nfs/dbraw/zinc/48/32/41/601483241.db2.gz ZDNPGZTYXQZSHP-ZDUSSCGKSA-N 0 1 391.424 0.348 20 0 GCADMN CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC000830951341 601492496 /nfs/dbraw/zinc/49/24/96/601492496.db2.gz XTVSYZZUZFCOHB-NSHDSACASA-N 0 1 380.470 0.624 20 0 GCADMN C[C@@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1C(=O)[O-] ZINC000828448761 601518313 /nfs/dbraw/zinc/51/83/13/601518313.db2.gz GOOMYPWUEHFGOK-RHSMWYFYSA-N 0 1 398.481 0.739 20 0 GCADMN C[C@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]1C(=O)[O-] ZINC000828448762 601518421 /nfs/dbraw/zinc/51/84/21/601518421.db2.gz GOOMYPWUEHFGOK-WMLDXEAASA-N 0 1 398.481 0.739 20 0 GCADMN Cn1c(N)c(C(=O)C[N@@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000833040105 601539849 /nfs/dbraw/zinc/53/98/49/601539849.db2.gz SPGXJHDMKGDGOA-CHWSQXEVSA-N 0 1 392.456 0.204 20 0 GCADMN Cn1c(N)c(C(=O)C[N@H+]2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c(=O)n(C)c1=O ZINC000833040105 601539852 /nfs/dbraw/zinc/53/98/52/601539852.db2.gz SPGXJHDMKGDGOA-CHWSQXEVSA-N 0 1 392.456 0.204 20 0 GCADMN NS(=O)(=O)c1cccc(NC(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000833089870 601543284 /nfs/dbraw/zinc/54/32/84/601543284.db2.gz BEBAHLSSYOBVSK-QGZVFWFLSA-N 0 1 389.433 0.957 20 0 GCADMN NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000833089870 601543286 /nfs/dbraw/zinc/54/32/86/601543286.db2.gz BEBAHLSSYOBVSK-QGZVFWFLSA-N 0 1 389.433 0.957 20 0 GCADMN Nc1c(C(=O)C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000833090198 601548225 /nfs/dbraw/zinc/54/82/25/601548225.db2.gz SFTDTBULGMPONQ-OAHLLOKOSA-N 0 1 384.392 0.733 20 0 GCADMN Nc1c(C(=O)C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c(=O)[nH]c(=O)n1C1CC1 ZINC000833090198 601548227 /nfs/dbraw/zinc/54/82/27/601548227.db2.gz SFTDTBULGMPONQ-OAHLLOKOSA-N 0 1 384.392 0.733 20 0 GCADMN Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000648425056 601560941 /nfs/dbraw/zinc/56/09/41/601560941.db2.gz HXXXLPAUTWAGOP-GOSISDBHSA-N 0 1 375.469 0.815 20 0 GCADMN COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C(=O)[O-] ZINC000831392243 601569725 /nfs/dbraw/zinc/56/97/25/601569725.db2.gz BZKUDJVCOIXNGE-JQWIXIFHSA-N 0 1 389.408 0.851 20 0 GCADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](CCC(=O)NCC(=O)[O-])CC2)cs1 ZINC000831501824 601611314 /nfs/dbraw/zinc/61/13/14/601611314.db2.gz XAMGLMSBURLACY-ZDUSSCGKSA-N 0 1 384.502 0.949 20 0 GCADMN CO[C@@H](C)c1nc(CN2CCC[N@H+](CC(=O)NCCC(=O)[O-])CC2)cs1 ZINC000831501712 601611344 /nfs/dbraw/zinc/61/13/44/601611344.db2.gz WPKLKCZNAYWEAC-ZDUSSCGKSA-N 0 1 384.502 0.949 20 0 GCADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+](CC(=O)NCCC(=O)[O-])CC2)cs1 ZINC000831501712 601611345 /nfs/dbraw/zinc/61/13/45/601611345.db2.gz WPKLKCZNAYWEAC-ZDUSSCGKSA-N 0 1 384.502 0.949 20 0 GCADMN C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)C(=O)[O-] ZINC000827492552 601623600 /nfs/dbraw/zinc/62/36/00/601623600.db2.gz FBSRUCFQXQYBPR-ZDUSSCGKSA-N 0 1 398.485 0.855 20 0 GCADMN C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)C(=O)[O-] ZINC000827492552 601623602 /nfs/dbraw/zinc/62/36/02/601623602.db2.gz FBSRUCFQXQYBPR-ZDUSSCGKSA-N 0 1 398.485 0.855 20 0 GCADMN CN1CC(=O)N(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000830913678 601730534 /nfs/dbraw/zinc/73/05/34/601730534.db2.gz UOERIFIXNNHAKH-IBGZPJMESA-N 0 1 388.424 0.116 20 0 GCADMN CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)c3[nH]c(C)c(C(=O)[O-])c3C)C[C@H]2C)CC1 ZINC000825839617 601755493 /nfs/dbraw/zinc/75/54/93/601755493.db2.gz FCOIGPNDSOIIND-IAQYHMDHSA-N 0 1 376.457 0.954 20 0 GCADMN O=C([O-])C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000833216686 601763830 /nfs/dbraw/zinc/76/38/30/601763830.db2.gz CBLFAYOYYHQSCA-QGZVFWFLSA-N 0 1 377.441 0.904 20 0 GCADMN C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC(C)(C)C(=O)[O-])cc2)CC1 ZINC000830950354 601767445 /nfs/dbraw/zinc/76/74/45/601767445.db2.gz JHKYRRBLJXRFOJ-UHFFFAOYSA-N 0 1 390.440 0.240 20 0 GCADMN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1C(=O)[O-] ZINC000831394424 601768828 /nfs/dbraw/zinc/76/88/28/601768828.db2.gz SDDWVYRFVJKEHX-XHDPSFHLSA-N 0 1 391.424 0.955 20 0 GCADMN CCN1CC[NH+](Cc2ccc(CNS(=O)(=O)C[C@@H](C)C(=O)[O-])cc2)CC1 ZINC000829776966 601776131 /nfs/dbraw/zinc/77/61/31/601776131.db2.gz ZLWCKIHIZAWIRF-OAHLLOKOSA-N 0 1 383.514 0.964 20 0 GCADMN C[C@H](CS(=O)(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)C(=O)[O-] ZINC000827559714 601787880 /nfs/dbraw/zinc/78/78/80/601787880.db2.gz XJVPMRFUKOGAGA-CQSZACIVSA-N 0 1 385.490 0.019 20 0 GCADMN 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CIQMMBMSZHBAIL-GFCCVEGCSA-N 0 1 376.852 0.658 20 0 GCADMN CC(=O)N1CCCN([C@H]2CN(C(=O)c3cccc(-c4nn[nH]n4)c3)C[C@@H]2C)CC1 ZINC000819796444 607062823 /nfs/dbraw/zinc/06/28/23/607062823.db2.gz IRYAUTHEQJBDLT-KSSFIOAISA-N 0 1 397.483 0.881 20 0 GCADMN CC[C@H]1CN(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1N1CCOCC1 ZINC000820994985 607175157 /nfs/dbraw/zinc/17/51/57/607175157.db2.gz LTJBQTVEYICWTD-WMZOPIPTSA-N 0 1 399.499 0.526 20 0 GCADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cn1 ZINC000823162012 607192122 /nfs/dbraw/zinc/19/21/22/607192122.db2.gz RONRNCNPPYVTBX-AEFFLSMTSA-N 0 1 393.451 0.875 20 0 GCADMN Cn1cc(-c2nnn[n-]2)c(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000822614583 607195001 /nfs/dbraw/zinc/19/50/01/607195001.db2.gz NZZPBLBKXWJHIR-KBPBESRZSA-N 0 1 389.464 0.490 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000822614583 607195002 /nfs/dbraw/zinc/19/50/02/607195002.db2.gz NZZPBLBKXWJHIR-KBPBESRZSA-N 0 1 389.464 0.490 20 0 GCADMN COc1ccccc1[C@@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC000821883564 607205249 /nfs/dbraw/zinc/20/52/49/607205249.db2.gz XORAQJSHAFZSHR-CQSZACIVSA-N 0 1 397.443 0.420 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000823136110 607206325 /nfs/dbraw/zinc/20/63/25/607206325.db2.gz KMBFPCWBHVYCBW-UHFFFAOYSA-N 0 1 378.360 0.085 20 0 GCADMN COc1ccccc1[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nccn1C ZINC000821882764 607206535 /nfs/dbraw/zinc/20/65/35/607206535.db2.gz KELPAMWHACJWHO-AWEZNQCLSA-N 0 1 394.399 0.106 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000823123020 607206804 /nfs/dbraw/zinc/20/68/04/607206804.db2.gz LCWCGXBAEFREKH-UHFFFAOYSA-N 0 1 376.384 0.650 20 0 GCADMN COc1ccc(CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OC(F)F ZINC000821794699 607207484 /nfs/dbraw/zinc/20/74/84/607207484.db2.gz KGBOWNUCNCYSDX-UHFFFAOYSA-N 0 1 394.342 0.727 20 0 GCADMN O=C(CCC1CCCC1)N1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000822950530 607207675 /nfs/dbraw/zinc/20/76/75/607207675.db2.gz RLSOISRWBWNMNT-UHFFFAOYSA-N 0 1 387.448 0.099 20 0 GCADMN C[C@@H]1CN(c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)C[C@@H](C)O1 ZINC000820777127 607207910 /nfs/dbraw/zinc/20/79/10/607207910.db2.gz PLFCXUUQDGJYLV-GHMZBOCLSA-N 0 1 384.404 0.106 20 0 GCADMN C[C@H]1CN(c2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cn2)C[C@H](C)O1 ZINC000820777129 607207957 /nfs/dbraw/zinc/20/79/57/607207957.db2.gz PLFCXUUQDGJYLV-QWRGUYRKSA-N 0 1 384.404 0.106 20 0 GCADMN C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000820334179 607208221 /nfs/dbraw/zinc/20/82/21/607208221.db2.gz KMMSGVCPHMKJRY-SNVBAGLBSA-N 0 1 396.415 0.620 20 0 GCADMN CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820138355 607208645 /nfs/dbraw/zinc/20/86/45/607208645.db2.gz VNHXAGQVJXSEJA-UHFFFAOYSA-N 0 1 389.807 0.889 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000823126620 607209702 /nfs/dbraw/zinc/20/97/02/607209702.db2.gz KJYCSPIFKNOOJL-HNNXBMFYSA-N 0 1 382.384 0.497 20 0 GCADMN CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821138951 607210137 /nfs/dbraw/zinc/21/01/37/607210137.db2.gz LRNRKIGDGQZRLJ-GFCCVEGCSA-N 0 1 397.443 0.486 20 0 GCADMN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821066339 607210149 /nfs/dbraw/zinc/21/01/49/607210149.db2.gz SVLLFHAOBSGLTQ-VXGBXAGGSA-N 0 1 375.437 0.002 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCC1(c2ccc(F)cc2)CCOCC1 ZINC000823126600 607210412 /nfs/dbraw/zinc/21/04/12/607210412.db2.gz JWNJIXFMLOOGHO-UHFFFAOYSA-N 0 1 386.391 0.462 20 0 GCADMN CCN(CC)C(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821170773 607212304 /nfs/dbraw/zinc/21/23/04/607212304.db2.gz WIZXBVNTAYJNTL-AWEZNQCLSA-N 0 1 397.443 0.054 20 0 GCADMN CC(C)[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1nc(-c2cccnc2)no1 ZINC000820027422 607212453 /nfs/dbraw/zinc/21/24/53/607212453.db2.gz RVFKSTJGFMOXGT-LBPRGKRZSA-N 0 1 395.387 0.417 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000823337636 607212859 /nfs/dbraw/zinc/21/28/59/607212859.db2.gz PFXVEKPVRSNLRP-UHFFFAOYSA-N 0 1 399.390 0.475 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000823132037 607213066 /nfs/dbraw/zinc/21/30/66/607213066.db2.gz WNADNHJIEJEUML-UHFFFAOYSA-N 0 1 383.347 0.611 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000823131932 607215497 /nfs/dbraw/zinc/21/54/97/607215497.db2.gz RCRGLUVODURASK-NSHDSACASA-N 0 1 388.363 0.794 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000823126965 607215671 /nfs/dbraw/zinc/21/56/71/607215671.db2.gz PAALIAWCXATUFB-JTQLQIEISA-N 0 1 375.343 0.132 20 0 GCADMN Cc1cc(Br)ccc1CNC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822161783 607216017 /nfs/dbraw/zinc/21/60/17/607216017.db2.gz UFSSOWOXNYIQDR-UHFFFAOYSA-N 0 1 377.206 0.846 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821572171 607216955 /nfs/dbraw/zinc/21/69/55/607216955.db2.gz UPWGMCCXJNBFRA-UHFFFAOYSA-N 0 1 381.444 0.581 20 0 GCADMN Cc1ccc2oc(N3CCN(C(=O)Cn4cnc(-c5nn[nH]n5)n4)CC3)nc2c1 ZINC000822284722 607217118 /nfs/dbraw/zinc/21/71/18/607217118.db2.gz XRPWJBKEUXTTIW-UHFFFAOYSA-N 0 1 394.399 0.257 20 0 GCADMN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820016378 607217159 /nfs/dbraw/zinc/21/71/59/607217159.db2.gz LIBAVFYYLBYVJX-MRXNPFEDSA-N 0 1 393.452 0.514 20 0 GCADMN COc1cccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2)c1 ZINC000821871801 607217679 /nfs/dbraw/zinc/21/76/79/607217679.db2.gz DUQDADNAXKKEPH-GFCCVEGCSA-N 0 1 383.416 0.252 20 0 GCADMN C[C@@H]1C[C@H](N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655716 607218209 /nfs/dbraw/zinc/21/82/09/607218209.db2.gz BIKMVUQGBCAUTL-GDBMZVCRSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@@H]1C[C@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655716 607218210 /nfs/dbraw/zinc/21/82/10/607218210.db2.gz BIKMVUQGBCAUTL-GDBMZVCRSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@@H]1C[C@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655716 607218211 /nfs/dbraw/zinc/21/82/11/607218211.db2.gz BIKMVUQGBCAUTL-GDBMZVCRSA-N 0 1 395.471 0.970 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823127152 607218589 /nfs/dbraw/zinc/21/85/89/607218589.db2.gz UXTFHZRQJOAZMP-JTQLQIEISA-N 0 1 383.199 0.615 20 0 GCADMN C[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820734154 607218619 /nfs/dbraw/zinc/21/86/19/607218619.db2.gz LKJKQVKZDSNNLA-GHMZBOCLSA-N 0 1 391.436 0.220 20 0 GCADMN C[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000820734158 607218820 /nfs/dbraw/zinc/21/88/20/607218820.db2.gz LKJKQVKZDSNNLA-WDEREUQCSA-N 0 1 391.436 0.220 20 0 GCADMN Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2=O)cc1 ZINC000822241509 607219797 /nfs/dbraw/zinc/21/97/97/607219797.db2.gz YFBAPFDMEDAZJQ-CYBMUJFWSA-N 0 1 381.400 0.078 20 0 GCADMN C[C@H]1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820716937 607220061 /nfs/dbraw/zinc/22/00/61/607220061.db2.gz MUFRKJBLRZLKJW-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820716937 607220062 /nfs/dbraw/zinc/22/00/62/607220062.db2.gz MUFRKJBLRZLKJW-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820716937 607220063 /nfs/dbraw/zinc/22/00/63/607220063.db2.gz MUFRKJBLRZLKJW-AWEZNQCLSA-N 0 1 381.444 0.581 20 0 GCADMN Cn1ccnc1C[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000822698819 607220218 /nfs/dbraw/zinc/22/02/18/607220218.db2.gz GQPZALOSBXWPQJ-CYBMUJFWSA-N 0 1 378.400 0.292 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000823123015 607220278 /nfs/dbraw/zinc/22/02/78/607220278.db2.gz KWSZESUTPHJWRN-MRVPVSSYSA-N 0 1 396.337 0.606 20 0 GCADMN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccc2NC1=O ZINC000821000594 607220821 /nfs/dbraw/zinc/22/08/21/607220821.db2.gz GYRAWQMFTGUYGQ-SKDRFNHKSA-N 0 1 397.399 0.445 20 0 GCADMN CCOC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1C ZINC000821326238 607220899 /nfs/dbraw/zinc/22/08/99/607220899.db2.gz VPJBZDOKCPSXKW-ZDUSSCGKSA-N 0 1 384.400 0.577 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nnn[n-]2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821571806 607220930 /nfs/dbraw/zinc/22/09/30/607220930.db2.gz GGBWTSVBSWHHEW-HNNXBMFYSA-N 0 1 381.444 0.581 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000821571806 607220931 /nfs/dbraw/zinc/22/09/31/607220931.db2.gz GGBWTSVBSWHHEW-HNNXBMFYSA-N 0 1 381.444 0.581 20 0 GCADMN CN(C(=O)Cn1cnc(-c2nn[n-]n2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821571806 607220932 /nfs/dbraw/zinc/22/09/32/607220932.db2.gz GGBWTSVBSWHHEW-HNNXBMFYSA-N 0 1 381.444 0.581 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(CC(F)(F)F)c2ccccc21 ZINC000823127206 607221283 /nfs/dbraw/zinc/22/12/83/607221283.db2.gz WNURAZUTEANSBL-UHFFFAOYSA-N 0 1 393.333 0.874 20 0 GCADMN CCN(C[C@H]1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1)CC(F)(F)F ZINC000821197313 607221375 /nfs/dbraw/zinc/22/13/75/607221375.db2.gz ITGROUIFYPSSKE-SNVBAGLBSA-N 0 1 387.370 0.191 20 0 GCADMN Cc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)[C@@H](C)C2)cc1C ZINC000822242175 607221688 /nfs/dbraw/zinc/22/16/88/607221688.db2.gz CNVMXCVYLVNKDH-AWEZNQCLSA-N 0 1 381.444 0.812 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000823176386 607221736 /nfs/dbraw/zinc/22/17/36/607221736.db2.gz SOADPUKHFIMPGS-ZDUSSCGKSA-N 0 1 395.427 0.127 20 0 GCADMN CC(C)(NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cn(-c2ccccc2)nn1 ZINC000819987677 607222487 /nfs/dbraw/zinc/22/24/87/607222487.db2.gz FZQUCOWFKMTNLJ-UHFFFAOYSA-N 0 1 379.388 0.090 20 0 GCADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC1 ZINC000820703443 607224438 /nfs/dbraw/zinc/22/44/38/607224438.db2.gz FMZAYEKLWYLYTA-CQSZACIVSA-N 0 1 387.492 0.961 20 0 GCADMN C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820703443 607224439 /nfs/dbraw/zinc/22/44/39/607224439.db2.gz FMZAYEKLWYLYTA-CQSZACIVSA-N 0 1 387.492 0.961 20 0 GCADMN C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000820703443 607224440 /nfs/dbraw/zinc/22/44/40/607224440.db2.gz FMZAYEKLWYLYTA-CQSZACIVSA-N 0 1 387.492 0.961 20 0 GCADMN O=S(=O)(CCN1CC[C@H]([C@H]2CCOC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484374 607830000 /nfs/dbraw/zinc/83/00/00/607830000.db2.gz ARQHQEMEUISJEQ-GJZGRUSLSA-N 0 1 377.470 0.999 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826390231 607838476 /nfs/dbraw/zinc/83/84/76/607838476.db2.gz UOJGAPNWTLRAST-LBPRGKRZSA-N 0 1 376.852 0.834 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826390231 607838477 /nfs/dbraw/zinc/83/84/77/607838477.db2.gz UOJGAPNWTLRAST-LBPRGKRZSA-N 0 1 376.852 0.834 20 0 GCADMN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826390231 607838478 /nfs/dbraw/zinc/83/84/78/607838478.db2.gz UOJGAPNWTLRAST-LBPRGKRZSA-N 0 1 376.852 0.834 20 0 GCADMN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826390231 607838479 /nfs/dbraw/zinc/83/84/79/607838479.db2.gz UOJGAPNWTLRAST-LBPRGKRZSA-N 0 1 376.852 0.834 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1-c1nnn[n-]1 ZINC000826077703 608019608 /nfs/dbraw/zinc/01/96/08/608019608.db2.gz RAVHUMWGTAZLNS-ZUZCIYMTSA-N 0 1 398.427 0.909 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1-c1nn[n-]n1 ZINC000826077703 608019609 /nfs/dbraw/zinc/01/96/09/608019609.db2.gz RAVHUMWGTAZLNS-ZUZCIYMTSA-N 0 1 398.427 0.909 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cn3cccn3)o2)c1-c1nnn[n-]1 ZINC000826084250 608019970 /nfs/dbraw/zinc/01/99/70/608019970.db2.gz WCQBRMDSWKRFSC-UHFFFAOYSA-N 0 1 396.415 0.832 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Cn3cccn3)o2)c1-c1nn[n-]n1 ZINC000826084250 608019971 /nfs/dbraw/zinc/01/99/71/608019971.db2.gz WCQBRMDSWKRFSC-UHFFFAOYSA-N 0 1 396.415 0.832 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(=O)OC)cc2)c1-c1nnn[n-]1 ZINC000826083590 608020105 /nfs/dbraw/zinc/02/01/05/608020105.db2.gz NXRQCPPTJQNTDI-UHFFFAOYSA-N 0 1 384.400 0.781 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(C(=O)OC)cc2)c1-c1nn[n-]n1 ZINC000826083590 608020106 /nfs/dbraw/zinc/02/01/06/608020106.db2.gz NXRQCPPTJQNTDI-UHFFFAOYSA-N 0 1 384.400 0.781 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1-c1nnn[n-]1 ZINC000826073045 608020308 /nfs/dbraw/zinc/02/03/08/608020308.db2.gz BNNWBYBUOXZNKO-NWDGAFQWSA-N 0 1 392.464 0.655 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)OC[C@H]2CCCCO2)c1-c1nn[n-]n1 ZINC000826073045 608020309 /nfs/dbraw/zinc/02/03/09/608020309.db2.gz BNNWBYBUOXZNKO-NWDGAFQWSA-N 0 1 392.464 0.655 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)C2CCCC2)c1-c1nnn[n-]1 ZINC000826073136 608020410 /nfs/dbraw/zinc/02/04/10/608020410.db2.gz GNOHSKOKFNFMIS-JTQLQIEISA-N 0 1 389.464 0.375 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)NC(=O)C2CCCC2)c1-c1nn[n-]n1 ZINC000826073136 608020411 /nfs/dbraw/zinc/02/04/11/608020411.db2.gz GNOHSKOKFNFMIS-JTQLQIEISA-N 0 1 389.464 0.375 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3n[nH]c(C)c32)c1-c1nnn[n-]1 ZINC000826077373 608020549 /nfs/dbraw/zinc/02/05/49/608020549.db2.gz GFIDUTTZLPQJJL-UHFFFAOYSA-N 0 1 395.431 0.882 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3n[nH]c(C)c32)c1-c1nn[n-]n1 ZINC000826077373 608020550 /nfs/dbraw/zinc/02/05/50/608020550.db2.gz GFIDUTTZLPQJJL-UHFFFAOYSA-N 0 1 395.431 0.882 20 0 GCADMN CCC(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)C1 ZINC000825035290 608020944 /nfs/dbraw/zinc/02/09/44/608020944.db2.gz ZQESIZQSSSIHLT-NSHDSACASA-N 0 1 389.464 0.329 20 0 GCADMN CCC(=O)N1CCC[C@H](C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)C1 ZINC000825035290 608020945 /nfs/dbraw/zinc/02/09/45/608020945.db2.gz ZQESIZQSSSIHLT-NSHDSACASA-N 0 1 389.464 0.329 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn3ccc(C)nc23)c1-c1nnn[n-]1 ZINC000826083608 608021572 /nfs/dbraw/zinc/02/15/72/608021572.db2.gz OMZPXSDYUJJDTM-UHFFFAOYSA-N 0 1 381.404 0.345 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnn3ccc(C)nc23)c1-c1nn[n-]n1 ZINC000826083608 608021573 /nfs/dbraw/zinc/02/15/73/608021573.db2.gz OMZPXSDYUJJDTM-UHFFFAOYSA-N 0 1 381.404 0.345 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccccc3n2)c1-c1nnn[n-]1 ZINC000826084014 608021581 /nfs/dbraw/zinc/02/15/81/608021581.db2.gz UASYLXNWIMTZQF-UHFFFAOYSA-N 0 1 378.400 0.937 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3ccccc3n2)c1-c1nn[n-]n1 ZINC000826084014 608021582 /nfs/dbraw/zinc/02/15/82/608021582.db2.gz UASYLXNWIMTZQF-UHFFFAOYSA-N 0 1 378.400 0.937 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3cc(C)nn3c2C)c1-c1nnn[n-]1 ZINC000826084384 608021629 /nfs/dbraw/zinc/02/16/29/608021629.db2.gz ZHDLFDJOPKOEFS-UHFFFAOYSA-N 0 1 395.431 0.654 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cnc3cc(C)nn3c2C)c1-c1nn[n-]n1 ZINC000826084384 608021630 /nfs/dbraw/zinc/02/16/30/608021630.db2.gz ZHDLFDJOPKOEFS-UHFFFAOYSA-N 0 1 395.431 0.654 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)c1-c1nnn[n-]1 ZINC000826077787 608021683 /nfs/dbraw/zinc/02/16/83/608021683.db2.gz VYBOPBQIGKBFCO-CYBMUJFWSA-N 0 1 386.391 0.823 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2Cc3cc(F)ccc3O2)c1-c1nn[n-]n1 ZINC000826077787 608021684 /nfs/dbraw/zinc/02/16/84/608021684.db2.gz VYBOPBQIGKBFCO-CYBMUJFWSA-N 0 1 386.391 0.823 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc(C(C)C)no2)c1-c1nnn[n-]1 ZINC000826077791 608022076 /nfs/dbraw/zinc/02/20/76/608022076.db2.gz WDEGCWMWPDBSAD-UHFFFAOYSA-N 0 1 388.436 0.820 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2nc(C(C)C)no2)c1-c1nn[n-]n1 ZINC000826077791 608022077 /nfs/dbraw/zinc/02/20/77/608022077.db2.gz WDEGCWMWPDBSAD-UHFFFAOYSA-N 0 1 388.436 0.820 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c([nH]c2=O)CCCC3)c1-c1nnn[n-]1 ZINC000826077640 608022187 /nfs/dbraw/zinc/02/21/87/608022187.db2.gz PBKIOBCIARBHBJ-UHFFFAOYSA-N 0 1 397.443 0.974 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc3c([nH]c2=O)CCCC3)c1-c1nn[n-]n1 ZINC000826077640 608022188 /nfs/dbraw/zinc/02/21/88/608022188.db2.gz PBKIOBCIARBHBJ-UHFFFAOYSA-N 0 1 397.443 0.974 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)OCO3)c1-c1nnn[n-]1 ZINC000826077397 608022255 /nfs/dbraw/zinc/02/22/55/608022255.db2.gz GYGQHBJEQBZWOM-UHFFFAOYSA-N 0 1 384.400 0.652 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)OCO3)c1-c1nn[n-]n1 ZINC000826077397 608022256 /nfs/dbraw/zinc/02/22/56/608022256.db2.gz GYGQHBJEQBZWOM-UHFFFAOYSA-N 0 1 384.400 0.652 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000825934321 608034578 /nfs/dbraw/zinc/03/45/78/608034578.db2.gz MSBHOYBHJCMRBK-AWEZNQCLSA-N 0 1 399.434 0.981 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000825934321 608034579 /nfs/dbraw/zinc/03/45/79/608034579.db2.gz MSBHOYBHJCMRBK-AWEZNQCLSA-N 0 1 399.434 0.981 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826229969 608042163 /nfs/dbraw/zinc/04/21/63/608042163.db2.gz YOEKLYHBXWTQAG-LLVKDONJSA-N 0 1 378.336 0.732 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@@](C)(O)C(F)(F)F)cc1-c1nn[nH]n1 ZINC000826229969 608042164 /nfs/dbraw/zinc/04/21/64/608042164.db2.gz YOEKLYHBXWTQAG-LLVKDONJSA-N 0 1 378.336 0.732 20 0 GCADMN O=S(=O)(N[C@@H]1CCc2nccn2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826489621 608056001 /nfs/dbraw/zinc/05/60/01/608056001.db2.gz VYYPSRXPAZBMPW-SECBINFHSA-N 0 1 381.368 0.635 20 0 GCADMN O=S(=O)(N[C@H]1CCc2nccn2C1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826489622 608056035 /nfs/dbraw/zinc/05/60/35/608056035.db2.gz VYYPSRXPAZBMPW-VIFPVBQESA-N 0 1 381.368 0.635 20 0 GCADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431708 608076819 /nfs/dbraw/zinc/07/68/19/608076819.db2.gz IOPWFWFPZGTVDM-IAGOWNOFSA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nnn[n-]2)nc1 ZINC000826431708 608076820 /nfs/dbraw/zinc/07/68/20/608076820.db2.gz IOPWFWFPZGTVDM-IAGOWNOFSA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431708 608076821 /nfs/dbraw/zinc/07/68/21/608076821.db2.gz IOPWFWFPZGTVDM-IAGOWNOFSA-N 0 1 393.451 0.875 20 0 GCADMN O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(-c2nn[n-]n2)nc1 ZINC000826431708 608076822 /nfs/dbraw/zinc/07/68/22/608076822.db2.gz IOPWFWFPZGTVDM-IAGOWNOFSA-N 0 1 393.451 0.875 20 0 GCADMN Cc1nnc(SCC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)[nH]1 ZINC000826322573 608080939 /nfs/dbraw/zinc/08/09/39/608080939.db2.gz SHPKGVCFVORBIT-CYBMUJFWSA-N 0 1 386.441 0.985 20 0 GCADMN COc1ccc(C[C@H](C)CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1OC ZINC000826191584 608103355 /nfs/dbraw/zinc/10/33/55/608103355.db2.gz KAABUUZZPDJNNQ-NSHDSACASA-N 0 1 386.416 0.470 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccccc1N1CCC(CO)CC1 ZINC000826425669 608106568 /nfs/dbraw/zinc/10/65/68/608106568.db2.gz NUYPEMDLDCMCBL-UHFFFAOYSA-N 0 1 383.416 0.306 20 0 GCADMN CC(C)c1nc([C@H](C)NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000824359682 608108797 /nfs/dbraw/zinc/10/87/97/608108797.db2.gz ZUSGFMUCVBQYPH-JTQLQIEISA-N 0 1 383.416 0.715 20 0 GCADMN CN(CC(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)[C@H]1CCSC1 ZINC000825892325 608113688 /nfs/dbraw/zinc/11/36/88/608113688.db2.gz JZYQAGIEBUJLGZ-AWEZNQCLSA-N 0 1 388.501 0.348 20 0 GCADMN C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000824737229 608185407 /nfs/dbraw/zinc/18/54/07/608185407.db2.gz DGBNCWUIHPEVMO-QMMMGPOBSA-N 0 1 376.402 0.475 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC000826229635 608205790 /nfs/dbraw/zinc/20/57/90/608205790.db2.gz LHPVBMGRLCBIDQ-QWRGUYRKSA-N 0 1 395.514 0.807 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1-c1nn[nH]n1 ZINC000826229448 608209668 /nfs/dbraw/zinc/20/96/68/608209668.db2.gz DYPNZZYSVCQVBA-QMMMGPOBSA-N 0 1 391.413 0.356 20 0 GCADMN CCNS(=O)(=O)[C@H]1CCN(CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000825476672 608211923 /nfs/dbraw/zinc/21/19/23/608211923.db2.gz RNYDCLXFGGSFNT-AWEZNQCLSA-N 0 1 393.473 0.209 20 0 GCADMN C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[NH+]1CCCCCC1 ZINC000824039183 608212118 /nfs/dbraw/zinc/21/21/18/608212118.db2.gz CODKTUSGMJOGKX-GFCCVEGCSA-N 0 1 375.481 0.828 20 0 GCADMN NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826395112 608220472 /nfs/dbraw/zinc/22/04/72/608220472.db2.gz NFENPLAJQZBJKE-UHFFFAOYSA-N 0 1 398.401 0.454 20 0 GCADMN C[C@H]1CN(C2CC2)C[C@H]1NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824975940 608339243 /nfs/dbraw/zinc/33/92/43/608339243.db2.gz LMJRDVOKHCSKOY-ZUZCIYMTSA-N 0 1 380.449 0.908 20 0 GCADMN CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825405787 608340359 /nfs/dbraw/zinc/34/03/59/608340359.db2.gz GDOHIDJWSBJGGE-NSHDSACASA-N 0 1 391.480 0.603 20 0 GCADMN CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825405787 608340361 /nfs/dbraw/zinc/34/03/61/608340361.db2.gz GDOHIDJWSBJGGE-NSHDSACASA-N 0 1 391.480 0.603 20 0 GCADMN CCc1nc([C@@H](C)NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)n[nH]1 ZINC000825744903 608342264 /nfs/dbraw/zinc/34/22/64/608342264.db2.gz GVNYXEZQSFOZLJ-MRVPVSSYSA-N 0 1 380.409 0.867 20 0 GCADMN CCc1nc([C@H](C)NS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)n[nH]1 ZINC000825744905 608342503 /nfs/dbraw/zinc/34/25/03/608342503.db2.gz GVNYXEZQSFOZLJ-QMMMGPOBSA-N 0 1 380.409 0.867 20 0 GCADMN CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825412805 608351717 /nfs/dbraw/zinc/35/17/17/608351717.db2.gz UVHZQHKOZVGUJS-LLVKDONJSA-N 0 1 391.480 0.603 20 0 GCADMN CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825412805 608351718 /nfs/dbraw/zinc/35/17/18/608351718.db2.gz UVHZQHKOZVGUJS-LLVKDONJSA-N 0 1 391.480 0.603 20 0 GCADMN CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825066268 608353382 /nfs/dbraw/zinc/35/33/82/608353382.db2.gz ARUCMRANXOFPAC-NSHDSACASA-N 0 1 391.480 0.603 20 0 GCADMN CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825066268 608353384 /nfs/dbraw/zinc/35/33/84/608353384.db2.gz ARUCMRANXOFPAC-NSHDSACASA-N 0 1 391.480 0.603 20 0 GCADMN CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825066268 608353386 /nfs/dbraw/zinc/35/33/86/608353386.db2.gz ARUCMRANXOFPAC-NSHDSACASA-N 0 1 391.480 0.603 20 0 GCADMN CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825066268 608353388 /nfs/dbraw/zinc/35/33/88/608353388.db2.gz ARUCMRANXOFPAC-NSHDSACASA-N 0 1 391.480 0.603 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC[N@@H+]1C ZINC000824882371 608354684 /nfs/dbraw/zinc/35/46/84/608354684.db2.gz AQDFDNLMEYVKRT-MNOVXSKESA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)CC[N@H+]1C ZINC000824882371 608354685 /nfs/dbraw/zinc/35/46/85/608354685.db2.gz AQDFDNLMEYVKRT-MNOVXSKESA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC[N@@H+]1C ZINC000824882371 608354687 /nfs/dbraw/zinc/35/46/87/608354687.db2.gz AQDFDNLMEYVKRT-MNOVXSKESA-N 0 1 389.464 0.356 20 0 GCADMN C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)CC[N@H+]1C ZINC000824882371 608354690 /nfs/dbraw/zinc/35/46/90/608354690.db2.gz AQDFDNLMEYVKRT-MNOVXSKESA-N 0 1 389.464 0.356 20 0 GCADMN Cc1nc([C@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[nH]n4)c3C)CCO2)n[nH]1 ZINC000826322611 608363308 /nfs/dbraw/zinc/36/33/08/608363308.db2.gz UJMHFYQEHYBBFD-CYBMUJFWSA-N 0 1 397.399 0.140 20 0 GCADMN Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cc(-c4nn[nH]n4)ccc3C)CCO2)n[nH]1 ZINC000826322160 608363542 /nfs/dbraw/zinc/36/35/42/608363542.db2.gz APKZBBATMJVNCV-ZDUSSCGKSA-N 0 1 397.399 0.140 20 0 GCADMN Cc1nc([C@H]2CN(C(=O)C(=O)Nc3cccc(C)c3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000826322605 608363631 /nfs/dbraw/zinc/36/36/31/608363631.db2.gz UFNRDZQIAMFEHI-GFCCVEGCSA-N 0 1 397.399 0.140 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)C[C@H]1N(C)C ZINC000826227423 608443791 /nfs/dbraw/zinc/44/37/91/608443791.db2.gz 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376.482 0.906 20 0 GCADMN O=C(C(=O)N1CCC[C@H](c2cc[nH]n2)C1)N1CCN(CC2CCOCC2)CC1 ZINC000658725469 1187430443 /nfs/dbraw/zinc/43/04/43/1187430443.db2.gz SVNQALLDKMEAKP-KRWDZBQOSA-N 0 1 389.500 0.687 20 0 GCADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000685753854 1187431685 /nfs/dbraw/zinc/43/16/85/1187431685.db2.gz CTIHLWJKZBQGTC-FVQBIDKESA-N 0 1 398.529 0.955 20 0 GCADMN CN(CC(=O)Nc1ccccc1Cl)C(=O)CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000565099881 1187439363 /nfs/dbraw/zinc/43/93/63/1187439363.db2.gz XTQOBBLIWGTRBQ-HOTGVXAUSA-N 0 1 380.876 0.800 20 0 GCADMN O=C(CN1CCN([C@H]2CCC[C@H]2O)CC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000375815333 1187439414 /nfs/dbraw/zinc/43/94/14/1187439414.db2.gz PCQYUGGWNOGRTM-LSDHHAIUSA-N 0 1 390.440 0.594 20 0 GCADMN Cc1cc(C)n2nc(C(=O)NC3C[C@H]4CC[C@@H](C3)N4CC(=O)N(C)C)nc2n1 ZINC000375820827 1187442248 /nfs/dbraw/zinc/44/22/48/1187442248.db2.gz XCAOMMUVYZPFDN-GOOCMWNKSA-N 0 1 385.472 0.555 20 0 GCADMN CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375839620 1187447436 /nfs/dbraw/zinc/44/74/36/1187447436.db2.gz NGLCWTMXPGUARC-LSDHHAIUSA-N 0 1 397.520 0.848 20 0 GCADMN CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375839612 1187447469 /nfs/dbraw/zinc/44/74/69/1187447469.db2.gz NGLCWTMXPGUARC-GJZGRUSLSA-N 0 1 397.520 0.848 20 0 GCADMN CCS(=O)(=O)NCCN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375841343 1187448180 /nfs/dbraw/zinc/44/81/80/1187448180.db2.gz RORPLZTVDGAGPO-HNNXBMFYSA-N 0 1 390.550 0.553 20 0 GCADMN CCS(=O)(=O)NCCN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000375841346 1187448275 /nfs/dbraw/zinc/44/82/75/1187448275.db2.gz RORPLZTVDGAGPO-OAHLLOKOSA-N 0 1 390.550 0.553 20 0 GCADMN CCCN1C[C@@H](C(=O)N(CCN(CC)CC)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000413641875 1187448930 /nfs/dbraw/zinc/44/89/30/1187448930.db2.gz OZMFCLDKZRBJCR-HOTGVXAUSA-N 0 1 387.546 0.602 20 0 GCADMN CC(C)[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]nc3c2CCCC3)C1 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/nfs/dbraw/zinc/45/74/19/1187457419.db2.gz QPEUDJATWDIARF-CTHBEMJXSA-N 0 1 375.816 0.563 20 0 GCADMN C[C@@H]1CN(CCCNC(=O)N2CCN(C(=O)c3cccn3C)CC2)C[C@@H](C)O1 ZINC000612316575 1187459206 /nfs/dbraw/zinc/45/92/06/1187459206.db2.gz ZOZWWEFFVFFILN-IAGOWNOFSA-N 0 1 391.516 0.992 20 0 GCADMN CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)C1 ZINC000658779936 1187459588 /nfs/dbraw/zinc/45/95/88/1187459588.db2.gz UPMXBLCCZVHMKN-OAHLLOKOSA-N 0 1 382.486 0.987 20 0 GCADMN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)C[C@H]1O)c1cnn[nH]1 ZINC001024554662 1187462478 /nfs/dbraw/zinc/46/24/78/1187462478.db2.gz FWXHVUWDSSPELV-CNVPUSNMSA-N 0 1 375.351 0.475 20 0 GCADMN COCC(=O)NC1CCN(C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000612337598 1187465857 /nfs/dbraw/zinc/46/58/57/1187465857.db2.gz USPSNADYKOCUTG-KRWDZBQOSA-N 0 1 383.537 0.195 20 0 GCADMN COCC(C)(C)N1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000566064688 1187476536 /nfs/dbraw/zinc/47/65/36/1187476536.db2.gz 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C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCC[C@@](C)(O)CC1 ZINC000375921567 1187488581 /nfs/dbraw/zinc/48/85/81/1187488581.db2.gz RKWAEYBBUKBVNQ-FZKQIMNGSA-N 0 1 381.498 0.849 20 0 GCADMN C[C@H]1OCC[C@@]12CN(CCC(=O)N1CCN(c3ncccn3)CC1)CCO2 ZINC000375926049 1187490888 /nfs/dbraw/zinc/49/08/88/1187490888.db2.gz CVRNRGPSLFVJNC-VQIMIIECSA-N 0 1 375.473 0.395 20 0 GCADMN CCN(C(=O)C(=O)N[C@@H]1CCN(C2CCCCC2)C1)[C@H](C)CS(C)(=O)=O ZINC000612443116 1187491598 /nfs/dbraw/zinc/49/15/98/1187491598.db2.gz CQYHXXCIJCQXFV-HUUCEWRRSA-N 0 1 387.546 0.791 20 0 GCADMN C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000612443389 1187491880 /nfs/dbraw/zinc/49/18/80/1187491880.db2.gz FKAGEHSORIURKM-ILXRZTDVSA-N 0 1 387.546 0.790 20 0 GCADMN NS(=O)(=O)c1ccc(O)c(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c1 ZINC000612451674 1187495275 /nfs/dbraw/zinc/49/52/75/1187495275.db2.gz GIJQCAKLVYBZOS-NSHDSACASA-N 0 1 394.405 0.747 20 0 GCADMN CCc1ccc([C@H]2CN(CC3(CO)COC3)CCN2CC2(CO)COC2)cc1 ZINC000548933793 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C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc2[nH]nnc2c1 ZINC000976662429 1190054803 /nfs/dbraw/zinc/05/48/03/1190054803.db2.gz NTODLPBSTMYBCD-VYHVBIQSSA-N 0 1 387.440 0.919 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)[N@H+]1CCc2ccccc2C1 ZINC000118969274 1190066593 /nfs/dbraw/zinc/06/65/93/1190066593.db2.gz AOCZAVYCNICMHS-CABCVRRESA-N 0 1 380.514 0.465 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1)N1CCc2ccccc2C1 ZINC000118969274 1190066601 /nfs/dbraw/zinc/06/66/01/1190066601.db2.gz AOCZAVYCNICMHS-CABCVRRESA-N 0 1 380.514 0.465 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]21)c1ccc2cncn2c1 ZINC000976833943 1190067465 /nfs/dbraw/zinc/06/74/65/1190067465.db2.gz VXNRETGWIKXFRV-QNIGTPJLSA-N 0 1 378.432 0.944 20 0 GCADMN CC1(C)C(=O)N(C[C@H]2CN(Cc3ccccc3)CCCO2)C(=O)N1CC(N)=O ZINC000575789994 1193721364 /nfs/dbraw/zinc/72/13/64/1193721364.db2.gz MFINHGYPFRXWCG-MRXNPFEDSA-N 0 1 388.468 0.806 20 0 GCADMN CCN(CC)CCN(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000468987550 1193722968 /nfs/dbraw/zinc/72/29/68/1193722968.db2.gz PJNAYZLGGDGRSC-OAGGEKHMSA-N 0 1 387.546 0.636 20 0 GCADMN CCN1CCN([C@H]2CCN(C(=O)C(=O)N3CC(C)(C)O[C@@H]4CCC[C@H]43)C2)CC1 ZINC000411026749 1193723659 /nfs/dbraw/zinc/72/36/59/1193723659.db2.gz XLOZRPJOLQZICG-RCCFBDPRSA-N 0 1 392.544 0.783 20 0 GCADMN CCc1cc(N2CCC[C@@H](NC(=O)N[C@H](C)CN3CCN(C)CC3)C2)ncn1 ZINC000246578040 1193724645 /nfs/dbraw/zinc/72/46/45/1193724645.db2.gz NFHGLWGRKJYQBX-SJLPKXTDSA-N 0 1 389.548 0.943 20 0 GCADMN CNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)CC1 ZINC000663909401 1193725646 /nfs/dbraw/zinc/72/56/46/1193725646.db2.gz MQEAGZWUIWNKIB-HNNXBMFYSA-N 0 1 399.517 0.516 20 0 GCADMN CNC(=O)c1[nH]nnc1NC(=O)CCCCOc1ccc(S(C)(=O)=O)cc1 ZINC000411095521 1193728824 /nfs/dbraw/zinc/72/88/24/1193728824.db2.gz GNXREDGWARSKDG-UHFFFAOYSA-N 0 1 395.441 0.756 20 0 GCADMN O=C(C[C@@H]1CCS(=O)(=O)C1)NCCN1CCN(Cc2ccccc2)CC1 ZINC000247808175 1193732182 /nfs/dbraw/zinc/73/21/82/1193732182.db2.gz CPYNJWYJHJWBKS-SFHVURJKSA-N 0 1 379.526 0.745 20 0 GCADMN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCC(=O)NC(C)(C)C)cc2)[nH]1 ZINC000512685648 1193734634 /nfs/dbraw/zinc/73/46/34/1193734634.db2.gz RIIKBZKEZLPCBP-UHFFFAOYSA-N 0 1 388.424 0.526 20 0 GCADMN Cn1ncc2c1ncnc2N1CCN(C(=O)CSc2nnc(C3CC3)[nH]2)CC1 ZINC000028759139 1193742943 /nfs/dbraw/zinc/74/29/43/1193742943.db2.gz AQPHSJONRPBFBS-UHFFFAOYSA-N 0 1 399.484 0.800 20 0 GCADMN CN(CC(=O)N1CCC[C@H](C(=O)N2CCNCC2)C1)c1ccc(Cl)cn1 ZINC000645143168 1193749487 /nfs/dbraw/zinc/74/94/87/1193749487.db2.gz QVHBZKSSHJLMMS-AWEZNQCLSA-N 0 1 379.892 0.842 20 0 GCADMN O=C(NC1CC1)N[C@H]1CCN(C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000419247381 1193762819 /nfs/dbraw/zinc/76/28/19/1193762819.db2.gz PLHXBGXENPEUMA-HOTGVXAUSA-N 0 1 388.468 0.847 20 0 GCADMN COCCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001087458152 1193770781 /nfs/dbraw/zinc/77/07/81/1193770781.db2.gz MGVLORNQFDRCQP-ZJPYXAASSA-N 0 1 393.459 0.779 20 0 GCADMN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CC[C@@H](COC(F)F)C2)CC1 ZINC000512805100 1193774639 /nfs/dbraw/zinc/77/46/39/1193774639.db2.gz AXBPHSJHRXUVFO-CQSZACIVSA-N 0 1 390.475 0.606 20 0 GCADMN CCC[C@@H]1CNCCN1C(=O)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000419272694 1193778623 /nfs/dbraw/zinc/77/86/23/1193778623.db2.gz VUKYTFGAVRNWFZ-LJQANCHMSA-N 0 1 388.512 0.736 20 0 GCADMN O=C(CN(CCO)[C@@H]1CCCSC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000433190690 1193779496 /nfs/dbraw/zinc/77/94/96/1193779496.db2.gz WIEFHZAETFXFGG-OAHLLOKOSA-N 0 1 381.498 0.754 20 0 GCADMN COC(=O)[C@@H]1CN(C)CC[N@H+](C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000419290721 1193787733 /nfs/dbraw/zinc/78/77/33/1193787733.db2.gz VWEFCMHTTHLREQ-HZPDHXFCSA-N 0 1 391.468 0.348 20 0 GCADMN CCN(CC(=O)N1CCN(CC(=O)N(C)C)CC1)Cc1ccc(OC)cc1 ZINC000052039664 1193792563 /nfs/dbraw/zinc/79/25/63/1193792563.db2.gz AMYFCKRCLWYCGX-UHFFFAOYSA-N 0 1 376.501 0.750 20 0 GCADMN Cc1cc(C)n2nc(C(=O)NCCN3c4ccccc4NS3(=O)=O)nc2n1 ZINC000429928679 1193801119 /nfs/dbraw/zinc/80/11/19/1193801119.db2.gz VCFSHGDXTUSPOM-UHFFFAOYSA-N 0 1 387.425 0.648 20 0 GCADMN CC(C)OC[C@H](CO)N(C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000433288615 1193802736 /nfs/dbraw/zinc/80/27/36/1193802736.db2.gz MXQJTOFIQMUSDL-KRWDZBQOSA-N 0 1 379.505 0.761 20 0 GCADMN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C[C@@H](C)N1 ZINC000419312609 1193804678 /nfs/dbraw/zinc/80/46/78/1193804678.db2.gz SJJDACDPDCNAQL-RBSFLKMASA-N 0 1 375.473 0.132 20 0 GCADMN O=C(COC(=O)[C@@H]1CC1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000047308692 1193806334 /nfs/dbraw/zinc/80/63/34/1193806334.db2.gz AEMHXXVQCGRVOJ-ZIAGYGMSSA-N 0 1 397.409 0.618 20 0 GCADMN CC(=O)c1ccc(N2CCN(C(=O)COC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(F)c1 ZINC000047310223 1193806797 /nfs/dbraw/zinc/80/67/97/1193806797.db2.gz BGYASBMXUKEBBG-CZUORRHYSA-N 0 1 393.371 0.885 20 0 GCADMN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCc1cccc(C(=O)N(C)C)c1 ZINC000512958603 1193812016 /nfs/dbraw/zinc/81/20/16/1193812016.db2.gz LDERIPCWTXXMTK-KSSFIOAISA-N 0 1 386.496 0.646 20 0 GCADMN Cc1nn(C)c(N2CCOCC2)c1CNC[C@H](N1CCOCC1)C(F)(F)F ZINC000512977538 1193815407 /nfs/dbraw/zinc/81/54/07/1193815407.db2.gz NTLCUENBKSZEDX-HNNXBMFYSA-N 0 1 391.438 0.918 20 0 GCADMN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000433377981 1193820499 /nfs/dbraw/zinc/82/04/99/1193820499.db2.gz SCGUZLNIXIAWDF-UHFFFAOYSA-N 0 1 375.414 0.517 20 0 GCADMN O=C(CNC(=O)c1ncccc1[O-])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000509894785 1193832448 /nfs/dbraw/zinc/83/24/48/1193832448.db2.gz BMGGTZXAVKDSHN-UHFFFAOYSA-N 0 1 384.436 0.666 20 0 GCADMN COCCc1ccc(OC[C@@H](O)CNC(=O)NC[C@@H]2CN(C)CCN2C)cc1 ZINC000664082250 1193840118 /nfs/dbraw/zinc/84/01/18/1193840118.db2.gz AXGUOWGMZLLFQD-MSOLQXFVSA-N 0 1 394.516 0.160 20 0 GCADMN C[C@H]1CN(C[C@@H](O)COC2CCOCC2)CCN1c1nccn2cnnc12 ZINC000433448075 1193841426 /nfs/dbraw/zinc/84/14/26/1193841426.db2.gz TVDOBIKDQVYDRG-LSDHHAIUSA-N 0 1 376.461 0.191 20 0 GCADMN CC(C)[C@H](CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1)N1CCN(C)CC1 ZINC000253548823 1193842530 /nfs/dbraw/zinc/84/25/30/1193842530.db2.gz FGQKUGOFCFZMHV-HBFSDRIKSA-N 0 1 387.528 0.989 20 0 GCADMN COC(=O)CNC(=O)[C@H]1CCCN1CCC(=O)N1CCc2sccc2C1 ZINC000419348216 1193843987 /nfs/dbraw/zinc/84/39/87/1193843987.db2.gz RTPCOQJVFZQDOS-CQSZACIVSA-N 0 1 379.482 0.777 20 0 GCADMN CN1CC[C@H](N2CCC(NC(=O)c3cccc(C(=O)N4CCCC4)n3)CC2)C1=O ZINC000329186772 1193845587 /nfs/dbraw/zinc/84/55/87/1193845587.db2.gz PXHCHBBQBMHXEH-SFHVURJKSA-N 0 1 399.495 0.743 20 0 GCADMN CC(C)(C)OC(=O)[C@H](CC(N)=O)Nc1cccc2nc([C@H]3CNCCO3)cn21 ZINC001167922150 1193849135 /nfs/dbraw/zinc/84/91/35/1193849135.db2.gz KUQIPTHAFAPEIA-GXTWGEPZSA-N 0 1 389.456 0.993 20 0 GCADMN COC(=O)CN(C(=O)c1ccc(NS(C)(=O)=O)nc1)c1cccc(C)n1 ZINC001126384230 1193858503 /nfs/dbraw/zinc/85/85/03/1193858503.db2.gz SBRNJWNSXHUBJX-UHFFFAOYSA-N 0 1 378.410 0.976 20 0 GCADMN C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCCCc1nc[nH]n1 ZINC000614360831 1193859432 /nfs/dbraw/zinc/85/94/32/1193859432.db2.gz HKDWAKAHECMECU-URBCHYCLSA-N 0 1 399.373 0.839 20 0 GCADMN Cc1cc(C(=O)NCCCc2nc[nH]n2)cc(C(=O)NCCCc2nnc[nH]2)c1 ZINC000614362689 1193862136 /nfs/dbraw/zinc/86/21/36/1193862136.db2.gz UOHAPTFHNKJMKB-UHFFFAOYSA-N 0 1 396.455 0.956 20 0 GCADMN CN(C(=O)N[C@H]1CCN(CCN2CCOCC2)C1)[C@H](CO)Cc1ccccc1 ZINC000664142759 1193862361 /nfs/dbraw/zinc/86/23/61/1193862361.db2.gz KEUNQYDMSDNXCC-PMACEKPBSA-N 0 1 390.528 0.638 20 0 GCADMN COC(=O)CNC(=O)[C@@H]1CCCN1CCC(=O)N1CCOc2ccccc21 ZINC000419360878 1193863664 /nfs/dbraw/zinc/86/36/64/1193863664.db2.gz SABYJUBASIDDII-HNNXBMFYSA-N 0 1 375.425 0.556 20 0 GCADMN CC(C)(C)N1C[C@@H](CNC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1=O ZINC000664143586 1193864177 /nfs/dbraw/zinc/86/41/77/1193864177.db2.gz UIVGMYGGAKOZQL-SJORKVTESA-N 0 1 395.548 0.339 20 0 GCADMN CCO[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000982674099 1193870946 /nfs/dbraw/zinc/87/09/46/1193870946.db2.gz PHTZWHMOCMLHMJ-NJNCZSALSA-N 0 1 392.456 0.055 20 0 GCADMN C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)CCN1 ZINC000419369038 1193871764 /nfs/dbraw/zinc/87/17/64/1193871764.db2.gz GXRHTJWRBKHIDO-PBHICJAKSA-N 0 1 394.903 0.650 20 0 GCADMN O=C(c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000614386286 1193873169 /nfs/dbraw/zinc/87/31/69/1193873169.db2.gz CIKSGIFRMRSSAG-VIFPVBQESA-N 0 1 398.379 0.940 20 0 GCADMN Cc1cccc([C@H](CNC(=O)C(=O)N2C[C@H](C)N[C@@H](C)C2)N2CCOCC2)c1 ZINC000419372489 1193874519 /nfs/dbraw/zinc/87/45/19/1193874519.db2.gz MMMRMJTXZWZUGA-LNLFQRSKSA-N 0 1 388.512 0.693 20 0 GCADMN CCC[C@@H]1CNCCN1C(=O)C(=O)N[C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000419376566 1193877508 /nfs/dbraw/zinc/87/75/08/1193877508.db2.gz BBMFRVBYLBSKGT-JKSUJKDBSA-N 0 1 395.525 0.874 20 0 GCADMN CCO[C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000982725123 1193885669 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/nfs/dbraw/zinc/89/98/34/1194899834.db2.gz AFKGNANOKOMEDY-HOTGVXAUSA-N 0 1 395.548 0.920 20 0 GCADMN COCCOc1cncc(C(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c1 ZINC000425303479 1194900999 /nfs/dbraw/zinc/90/09/99/1194900999.db2.gz FFWIZGVSYBWYAJ-KRWDZBQOSA-N 0 1 376.457 0.532 20 0 GCADMN Cn1cnc2cc(NS(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)ccc21 ZINC000435207070 1194901442 /nfs/dbraw/zinc/90/14/42/1194901442.db2.gz PAKAKUQORGAKKZ-UHFFFAOYSA-N 0 1 386.393 0.722 20 0 GCADMN C[C@@H](O)[C@H]1CCN(C(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)C1 ZINC000283175065 1194907711 /nfs/dbraw/zinc/90/77/11/1194907711.db2.gz LKABQELQHKVUMV-MSOLQXFVSA-N 0 1 388.512 0.544 20 0 GCADMN CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 ZINC000514764345 1194907744 /nfs/dbraw/zinc/90/77/44/1194907744.db2.gz MYALGSNSXDVJQW-JKSUJKDBSA-N 0 1 398.529 0.909 20 0 GCADMN CN(Cc1nnc[nH]1)C(=O)C(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000435280670 1194911217 /nfs/dbraw/zinc/91/12/17/1194911217.db2.gz OASRXIAEKIMXHT-UHFFFAOYSA-N 0 1 378.820 0.892 20 0 GCADMN C[C@H](C(=O)N1CCC(c2n[nH]c(=O)o2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000425319838 1194912712 /nfs/dbraw/zinc/91/27/12/1194912712.db2.gz KENJWDUFGYQGRM-SNVBAGLBSA-N 0 1 377.401 0.734 20 0 GCADMN CCN(Cc1ccncc1)C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000283302727 1194914952 /nfs/dbraw/zinc/91/49/52/1194914952.db2.gz DFJVRBAFCAUYQI-UHFFFAOYSA-N 0 1 396.495 0.893 20 0 GCADMN CO[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2OCC[C@H]3N(C)C)C[C@@H]1OC ZINC000435312161 1194918566 /nfs/dbraw/zinc/91/85/66/1194918566.db2.gz XDBRTQSHQOVQFR-OAGGEKHMSA-N 0 1 377.441 0.883 20 0 GCADMN O=C(NCc1cnc[nH]1)[C@@H]1CC12CCN(C(=O)[C@@H]1CCCS1(=O)=O)CC2 ZINC001269941356 1194920266 /nfs/dbraw/zinc/92/02/66/1194920266.db2.gz ZJEABBJSDDIZSO-KBPBESRZSA-N 0 1 380.470 0.232 20 0 GCADMN CCN(C(=O)c1[nH]nc2c1CN(C(=O)[C@H]1CCCS1(=O)=O)CC2)C(C)C ZINC001269941946 1194920779 /nfs/dbraw/zinc/92/07/79/1194920779.db2.gz LWHOFFGWZRLBOY-CQSZACIVSA-N 0 1 382.486 0.742 20 0 GCADMN O=C(c1[nH]nc2c1CN(C(=O)[C@H]1CCCS1(=O)=O)CC2)N1CCCCO1 ZINC001269942284 1194921126 /nfs/dbraw/zinc/92/11/26/1194921126.db2.gz PWGSVALHRCKCJE-CYBMUJFWSA-N 0 1 382.442 0.039 20 0 GCADMN COCCNS(=O)(=O)c1ccc(CNCc2cnc(N(C)C)n2C)cc1 ZINC000425365078 1194926425 /nfs/dbraw/zinc/92/64/25/1194926425.db2.gz XVYCKVNVVJYJQK-UHFFFAOYSA-N 0 1 381.502 0.701 20 0 GCADMN CCNC(=O)COc1ccc(CN(C)CC(=O)N2CCNCC2)cc1OC ZINC000435389167 1194926457 /nfs/dbraw/zinc/92/64/57/1194926457.db2.gz JOWBEXGDCRTKLE-UHFFFAOYSA-N 0 1 378.473 0.074 20 0 GCADMN O=C(CNS(=O)(=O)c1c(F)cccc1F)Nc1ccc(-n2cnnn2)cc1 ZINC000514962555 1194931984 /nfs/dbraw/zinc/93/19/84/1194931984.db2.gz UQKBMYHJIRELKP-UHFFFAOYSA-N 0 1 394.363 0.858 20 0 GCADMN O=C(N[C@H]1CCOC2(CCC2)C1)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000514967816 1194932287 /nfs/dbraw/zinc/93/22/87/1194932287.db2.gz OUJHPEQDAZVEBD-KRWDZBQOSA-N 0 1 379.501 0.775 20 0 GCADMN CC(C)CN1CCO[C@@H](CNC(=O)N2CCC(N3CCCNC3=O)CC2)C1 ZINC000366627235 1194933490 /nfs/dbraw/zinc/93/34/90/1194933490.db2.gz MBFILAULCCWJIL-KRWDZBQOSA-N 0 1 381.521 0.933 20 0 GCADMN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)NCCCN1CCC[C@H]1C(N)=O ZINC000435470031 1194934387 /nfs/dbraw/zinc/93/43/87/1194934387.db2.gz AHDYVNMSLFLVDG-JKSUJKDBSA-N 0 1 392.504 0.460 20 0 GCADMN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)NCCCN1CCC[C@@H]1C(N)=O ZINC000435470030 1194934561 /nfs/dbraw/zinc/93/45/61/1194934561.db2.gz AHDYVNMSLFLVDG-HZPDHXFCSA-N 0 1 392.504 0.460 20 0 GCADMN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(NC(C)=O)cc1OC ZINC000435494191 1194936947 /nfs/dbraw/zinc/93/69/47/1194936947.db2.gz MKKODUJVMWYJNP-OAHLLOKOSA-N 0 1 392.456 0.819 20 0 GCADMN O=C(C(=O)N1CCC[C@@H](n2ccnn2)C1)N1CCC(CN2CCOCC2)CC1 ZINC000425387372 1194938809 /nfs/dbraw/zinc/93/88/09/1194938809.db2.gz NKDXZGVHXZPHAF-QGZVFWFLSA-N 0 1 390.488 0.012 20 0 GCADMN O=C(C(=O)N1CCC[C@H](n2ccnn2)C1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000425387317 1194939024 /nfs/dbraw/zinc/93/90/24/1194939024.db2.gz NGGPSMHANVPGCH-SJORKVTESA-N 0 1 390.488 0.012 20 0 GCADMN C[C@@H](NC(=O)C(=O)NCC(=O)N1CCNCC1)c1cccc(OC(F)F)c1 ZINC000515049844 1194941802 /nfs/dbraw/zinc/94/18/02/1194941802.db2.gz ZOWMMNJCTAFOSH-LLVKDONJSA-N 0 1 384.383 0.013 20 0 GCADMN C[C@@H](NC(=O)C(=O)NCC(=O)N1CCNCC1)C1(c2ccccc2)CCCC1 ZINC000515049806 1194941823 /nfs/dbraw/zinc/94/18/23/1194941823.db2.gz TVYZVJFREJNSSX-MRXNPFEDSA-N 0 1 386.496 0.551 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(Cc2nc3sc4c(c3c(N)n2)CCCC4)C[C@H]1O ZINC000435633916 1194947892 /nfs/dbraw/zinc/94/78/92/1194947892.db2.gz BDRIPCXQKBLTPO-NWDGAFQWSA-N 0 1 391.497 0.714 20 0 GCADMN COc1ccc(Cl)cc1CNC(=O)CN1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435633636 1194947898 /nfs/dbraw/zinc/94/78/98/1194947898.db2.gz AGKJNYSXNGGTKK-UONOGXRCSA-N 0 1 385.848 0.026 20 0 GCADMN CC[C@H](NC(=O)CN1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000435633379 1194948304 /nfs/dbraw/zinc/94/83/04/1194948304.db2.gz XSUSFGMYHKHQEK-ARFHVFGLSA-N 0 1 383.876 0.969 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1O ZINC000435639927 1194949033 /nfs/dbraw/zinc/94/90/33/1194949033.db2.gz ZNDLVDZIJLOIKH-ZIAGYGMSSA-N 0 1 380.832 0.994 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(CC(=O)NCC2(c3ccccc3)CCCC2)C[C@H]1O ZINC000435641983 1194949702 /nfs/dbraw/zinc/94/97/02/1194949702.db2.gz PDMPMFPTKVJETR-QZTJIDSGSA-N 0 1 389.496 0.676 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(CC(=O)Nc2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000435631378 1194950422 /nfs/dbraw/zinc/95/04/22/1194950422.db2.gz COZCTIDDWZEHEB-QWHCGFSZSA-N 0 1 375.347 0.705 20 0 GCADMN CCCN(Cc1ccc(C)cc1)C(=O)CN1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435630032 1194950566 /nfs/dbraw/zinc/95/05/66/1194950566.db2.gz VVVGJEIVOIOXFB-ZWKOTPCHSA-N 0 1 377.485 0.795 20 0 GCADMN COc1ccc([C@@H](NC(=O)CN2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)C(C)C)cc1 ZINC000435660392 1194951556 /nfs/dbraw/zinc/95/15/56/1194951556.db2.gz VIJAKQLZPZSSSG-HLIPFELVSA-N 0 1 393.484 0.570 20 0 GCADMN C[C@@H](Cc1c(F)cccc1F)NC(=O)CN1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435652585 1194952397 /nfs/dbraw/zinc/95/23/97/1194952397.db2.gz BYZJRAVJKNHJLF-KNXALSJPSA-N 0 1 385.411 0.074 20 0 GCADMN CCOc1ccccc1[C@@H](CC)NC(=O)CN1C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435655067 1194952844 /nfs/dbraw/zinc/95/28/44/1194952844.db2.gz MKGCBMRMIXACDK-BRWVUGGUSA-N 0 1 393.484 0.714 20 0 GCADMN CCS(=O)(=O)N1CCC(NC(=O)N2CCN(C(C)(C)COC)CC2)CC1 ZINC000425400603 1194954319 /nfs/dbraw/zinc/95/43/19/1194954319.db2.gz YQLSZVDEPZWQLW-UHFFFAOYSA-N 0 1 390.550 0.553 20 0 GCADMN C[N@H+](CC(=O)[O-])C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CCO1 ZINC000435709417 1194954864 /nfs/dbraw/zinc/95/48/64/1194954864.db2.gz DRVFVBPBOPMLET-IUODEOHRSA-N 0 1 393.465 0.733 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1O ZINC000435691616 1194955318 /nfs/dbraw/zinc/95/53/18/1194955318.db2.gz MDPCHNZJLHFOPV-LSDHHAIUSA-N 0 1 376.413 0.179 20 0 GCADMN Cc1ccc(-n2nc(C(=O)N3C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C3)c3c2CCC3)cc1 ZINC000435689683 1194955344 /nfs/dbraw/zinc/95/53/44/1194955344.db2.gz CEKPJHRUBAXODX-QZTJIDSGSA-N 0 1 398.463 0.871 20 0 GCADMN Cc1csc(N2CCC(C(=O)N3C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C3)CC2)n1 ZINC000435712017 1194955363 /nfs/dbraw/zinc/95/53/63/1194955363.db2.gz WFZGIBFPNOQMPL-UONOGXRCSA-N 0 1 382.486 0.256 20 0 GCADMN CC(=O)c1cccc(OCCCC(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)c1 ZINC000435694287 1194955711 /nfs/dbraw/zinc/95/57/11/1194955711.db2.gz WTYCFJMXUNHOIB-IAGOWNOFSA-N 0 1 378.425 0.636 20 0 GCADMN CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435693111 1194955986 /nfs/dbraw/zinc/95/59/86/1194955986.db2.gz SKPVDCZIZGTRBG-LSDHHAIUSA-N 0 1 388.424 0.473 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@H]1CN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)C[C@H]1O ZINC000435693078 1194956008 /nfs/dbraw/zinc/95/60/08/1194956008.db2.gz SEJUGFHCIPUQHY-LSDHHAIUSA-N 0 1 386.408 0.816 20 0 GCADMN C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1O ZINC000435699878 1194956328 /nfs/dbraw/zinc/95/63/28/1194956328.db2.gz BNPQEGHOIHSIEA-HUUCEWRRSA-N 0 1 378.816 0.727 20 0 GCADMN COc1ccc(C(=O)CCC(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)cc1F ZINC000435700002 1194956465 /nfs/dbraw/zinc/95/64/65/1194956465.db2.gz CNXXXGBLJSDLOR-DZGCQCFKSA-N 0 1 382.388 0.385 20 0 GCADMN CCN(CC)C(=O)c1ccc(C(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)cc1 ZINC000435698782 1194956509 /nfs/dbraw/zinc/95/65/09/1194956509.db2.gz TXCRWOPORRJLCQ-JKSUJKDBSA-N 0 1 377.441 0.370 20 0 GCADMN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N1C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C1 ZINC000435698380 1194956521 /nfs/dbraw/zinc/95/65/21/1194956521.db2.gz RAZRDEGSTYRDEV-UHOFOFEASA-N 0 1 389.456 0.912 20 0 GCADMN COc1ccc(SCCC(=O)N2C[C@@H](O)[C@@H]([N@@H+](C)CC(=O)[O-])C2)cc1OC ZINC000435699589 1194956876 /nfs/dbraw/zinc/95/68/76/1194956876.db2.gz YUVHBHBRJNNDEI-UONOGXRCSA-N 0 1 398.481 0.774 20 0 GCADMN COCCOCc1cc(C(=O)N2C[C@@H](O)[C@H]([N@@H+](C)CC(=O)[O-])C2)ccc1F ZINC000435699536 1194956907 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CN(C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1)c1nccnc1-c1nn[n-]n1 ZINC001571265206 945505136 /nfs/dbraw/zinc/50/51/36/945505136.db2.gz CMUXJDFLRMLPEL-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1)c1nccnc1-c1nn[n-]n1 ZINC001571265206 945505140 /nfs/dbraw/zinc/50/51/40/945505140.db2.gz CMUXJDFLRMLPEL-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265309 945506806 /nfs/dbraw/zinc/50/68/06/945506806.db2.gz GYMBBVSIMSXYIT-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265309 945506816 /nfs/dbraw/zinc/50/68/16/945506816.db2.gz GYMBBVSIMSXYIT-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265309 945506824 /nfs/dbraw/zinc/50/68/24/945506824.db2.gz GYMBBVSIMSXYIT-KGLIPLIRSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(-c4nnn[n-]4)n3)C2)CC[N@H+]1C ZINC001571265371 945509064 /nfs/dbraw/zinc/50/90/64/945509064.db2.gz INYPKGRJMZMDAN-MELADBBJSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC[N@@H+]1C ZINC001571265371 945509071 /nfs/dbraw/zinc/50/90/71/945509071.db2.gz INYPKGRJMZMDAN-MELADBBJSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571265371 945509077 /nfs/dbraw/zinc/50/90/77/945509077.db2.gz INYPKGRJMZMDAN-MELADBBJSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265434 945509641 /nfs/dbraw/zinc/50/96/41/945509641.db2.gz GRQKAQCCUJFYJQ-OAHLLOKOSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cncc(-c3nnn[n-]3)n2)CC1 ZINC001571265434 945509646 /nfs/dbraw/zinc/50/96/46/945509646.db2.gz GRQKAQCCUJFYJQ-OAHLLOKOSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265434 945509653 /nfs/dbraw/zinc/50/96/53/945509653.db2.gz GRQKAQCCUJFYJQ-OAHLLOKOSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265434 945509660 /nfs/dbraw/zinc/50/96/60/945509660.db2.gz GRQKAQCCUJFYJQ-OAHLLOKOSA-N 0 1 385.476 0.426 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N(C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)n1 ZINC001571265484 945511869 /nfs/dbraw/zinc/51/18/69/945511869.db2.gz KWKWJKAMUIVLJL-AWEZNQCLSA-N 0 1 385.476 0.346 20 0 GCADMN C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571265475 945512118 /nfs/dbraw/zinc/51/21/18/945512118.db2.gz KUHUODGFJGQCIM-KBXCAEBGSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571265475 945512125 /nfs/dbraw/zinc/51/21/25/945512125.db2.gz KUHUODGFJGQCIM-KBXCAEBGSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265465 945512202 /nfs/dbraw/zinc/51/22/02/945512202.db2.gz KLNPIZBAKMEYJY-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265465 945512208 /nfs/dbraw/zinc/51/22/08/945512208.db2.gz KLNPIZBAKMEYJY-ZIAGYGMSSA-N 0 1 385.476 0.792 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265530 945513085 /nfs/dbraw/zinc/51/30/85/945513085.db2.gz HWFFXKMHNIFBDZ-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265530 945513090 /nfs/dbraw/zinc/51/30/90/945513090.db2.gz HWFFXKMHNIFBDZ-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265530 945513098 /nfs/dbraw/zinc/51/30/98/945513098.db2.gz HWFFXKMHNIFBDZ-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571265571 945514555 /nfs/dbraw/zinc/51/45/55/945514555.db2.gz IQCSXCDLXAIBFX-IHRRRGAJSA-N 0 1 385.476 0.695 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001571265571 945514558 /nfs/dbraw/zinc/51/45/58/945514558.db2.gz IQCSXCDLXAIBFX-IHRRRGAJSA-N 0 1 385.476 0.695 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571265571 945514564 /nfs/dbraw/zinc/51/45/64/945514564.db2.gz IQCSXCDLXAIBFX-IHRRRGAJSA-N 0 1 385.476 0.695 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](CNc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001571265571 945514570 /nfs/dbraw/zinc/51/45/70/945514570.db2.gz IQCSXCDLXAIBFX-IHRRRGAJSA-N 0 1 385.476 0.695 20 0 GCADMN CN(C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1)c1nccnc1-c1nn[n-]n1 ZINC001571265532 945514623 /nfs/dbraw/zinc/51/46/23/945514623.db2.gz HWLFNSBCISLBOY-AWEZNQCLSA-N 0 1 385.476 0.427 20 0 GCADMN CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571265704 945517875 /nfs/dbraw/zinc/51/78/75/945517875.db2.gz IUERIZAZLWSDFD-UKRRQHHQSA-N 0 1 385.476 0.567 20 0 GCADMN CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571265704 945517883 /nfs/dbraw/zinc/51/78/83/945517883.db2.gz IUERIZAZLWSDFD-UKRRQHHQSA-N 0 1 385.476 0.567 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571265727 945518631 /nfs/dbraw/zinc/51/86/31/945518631.db2.gz JDQPJPIAFIQEPX-ZFWWWQNUSA-N 0 1 385.476 0.616 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001571265727 945518634 /nfs/dbraw/zinc/51/86/34/945518634.db2.gz JDQPJPIAFIQEPX-ZFWWWQNUSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571265731 945518685 /nfs/dbraw/zinc/51/86/85/945518685.db2.gz JGHRRNAUFQAMGX-OLZOCXBDSA-N 0 1 385.476 0.790 20 0 GCADMN 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UQLUNMMWCJLBJI-KZULUSFZSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@@H](CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001571279334 945775518 /nfs/dbraw/zinc/77/55/18/945775518.db2.gz VDOJCTCMOMFIOF-GXTWGEPZSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCC1 ZINC001571279308 945775719 /nfs/dbraw/zinc/77/57/19/945775719.db2.gz UQLUNMMWCJLBJI-KPZWWZAWSA-N 0 1 386.460 0.280 20 0 GCADMN CN(C[C@@H]1CCCN1C(=O)c1csc(=O)[nH]1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571279409 945778158 /nfs/dbraw/zinc/77/81/58/945778158.db2.gz NSRHSZNLHBEVTQ-VIFPVBQESA-N 0 1 387.429 0.560 20 0 GCADMN C[C@@H]1CN(C(=O)c2csc(=O)[nH]2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571279503 945779119 /nfs/dbraw/zinc/77/91/19/945779119.db2.gz QMJWPJBKMZIRPH-RKDXNWHRSA-N 0 1 387.429 0.203 20 0 GCADMN C[C@H]1C[C@H](C(=O)N2CCC(CCNc3ccnc(-c4nn[nH]n4)n3)CC2)CO1 ZINC001571279700 945786449 /nfs/dbraw/zinc/78/64/49/945786449.db2.gz YDUPBVHXOHWICK-JSGCOSHPSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC(CCNc3ccnc(-c4nn[nH]n4)n3)CC2)CO1 ZINC001571279699 945786470 /nfs/dbraw/zinc/78/64/70/945786470.db2.gz YDUPBVHXOHWICK-GXTWGEPZSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2csc(=O)[nH]2)C1 ZINC001571279930 945791281 /nfs/dbraw/zinc/79/12/81/945791281.db2.gz ZSTPULZFPUXYRF-BDAKNGLRSA-N 0 1 387.429 0.203 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573447131 945797239 /nfs/dbraw/zinc/79/72/39/945797239.db2.gz WMPWOJTZQTUPFY-MRXNPFEDSA-N 0 1 384.444 0.097 20 0 GCADMN C[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC[C@H]1CNCc1csnn1 ZINC001571281219 945801829 /nfs/dbraw/zinc/80/18/29/945801829.db2.gz FTVWUBZGYNSERT-QWRGUYRKSA-N 0 1 387.473 0.934 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573448190 945803493 /nfs/dbraw/zinc/80/34/93/945803493.db2.gz GUKYXCPGQSRKJA-IAGOWNOFSA-N 0 1 383.456 0.568 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573448121 945804066 /nfs/dbraw/zinc/80/40/66/945804066.db2.gz GCZRDMIXFZWCTQ-DVOMOZLQSA-N 0 1 384.444 0.001 20 0 GCADMN CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)nn1 ZINC001571281764 945812959 /nfs/dbraw/zinc/81/29/59/945812959.db2.gz NMCQBTMXRHWSRX-UHFFFAOYSA-N 0 1 387.473 0.932 20 0 GCADMN CCn1cc(C(=O)N(C)C2CC([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)nn1 ZINC001571281764 945812973 /nfs/dbraw/zinc/81/29/73/945812973.db2.gz NMCQBTMXRHWSRX-UHFFFAOYSA-N 0 1 387.473 0.932 20 0 GCADMN Cc1cc(NC[C@@H]2CCCCN2C(=O)[C@H]2COCCO2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571281812 945815679 /nfs/dbraw/zinc/81/56/79/945815679.db2.gz AHONWNROCJFSJW-XJKSGUPXSA-N 0 1 387.444 0.200 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573449247 945815857 /nfs/dbraw/zinc/81/58/57/945815857.db2.gz VKXYIQWGWMFZOC-TZMCWYRMSA-N 0 1 389.485 0.630 20 0 GCADMN C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571282165 945829623 /nfs/dbraw/zinc/82/96/23/945829623.db2.gz SXSUUMARSRUWPV-CMPLNLGQSA-N 0 1 387.473 0.697 20 0 GCADMN C[C@H]1CN(C(=O)c2cnnn2C)CC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571282165 945829641 /nfs/dbraw/zinc/82/96/41/945829641.db2.gz SXSUUMARSRUWPV-CMPLNLGQSA-N 0 1 387.473 0.697 20 0 GCADMN CC(=O)N[C@@](C)(C(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1)C(C)C ZINC001573452067 945843651 /nfs/dbraw/zinc/84/36/51/945843651.db2.gz AGGWNBDJECDIRN-PIGZYNQJSA-N 0 1 389.464 0.148 20 0 GCADMN CC(=O)N[C@](C)(C(=O)N[C@@H](C)CN(C)c1ccncc1-c1nn[nH]n1)C(C)C ZINC001573452475 945848341 /nfs/dbraw/zinc/84/83/41/945848341.db2.gz FVWOUWQKTDBJJI-SGTLLEGYSA-N 0 1 388.476 0.753 20 0 GCADMN CC(=O)N[C@@H](C(=O)NCCNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CCCC1 ZINC001573453149 945856625 /nfs/dbraw/zinc/85/66/25/945856625.db2.gz IZLKTKULZLGDNI-MRXNPFEDSA-N 0 1 386.460 0.215 20 0 GCADMN O=C(CC1CCOCC1)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571282820 945862579 /nfs/dbraw/zinc/86/25/79/945862579.db2.gz RYJMLQRQFHWAIQ-AWEZNQCLSA-N 0 1 387.444 0.140 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@H]1CCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001573455268 945878795 /nfs/dbraw/zinc/87/87/95/945878795.db2.gz BCWAQISLNSPNFZ-MRXNPFEDSA-N 0 1 385.472 0.814 20 0 GCADMN CC[C@@H](C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nn2)C1)[NH+](C)C ZINC001571283179 945879017 /nfs/dbraw/zinc/87/90/17/945879017.db2.gz AZPAQUHQOIRCEV-HIFRSBDPSA-N 0 1 387.492 0.672 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573455585 945884123 /nfs/dbraw/zinc/88/41/23/945884123.db2.gz FHMZLVCVNGKMTQ-MRXNPFEDSA-N 0 1 385.472 0.814 20 0 GCADMN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nnn[n-]3)n2)C1)[NH+](C)C ZINC001571283852 945888684 /nfs/dbraw/zinc/88/86/84/945888684.db2.gz JGOHFPIFJJFRFA-NFAWXSAZSA-N 0 1 387.492 0.893 20 0 GCADMN CC[C@@H](C(=O)N1C[C@@H](C)[C@H](CCNc2cncc(-c3nn[n-]n3)n2)C1)[NH+](C)C ZINC001571283852 945888695 /nfs/dbraw/zinc/88/86/95/945888695.db2.gz JGOHFPIFJJFRFA-NFAWXSAZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[C@@H](C(=O)N1CCC(C)(Nc2ccnc(-c3nn[n-]n3)n2)CC1)[NH+](C)C ZINC001571284110 945896483 /nfs/dbraw/zinc/89/64/83/945896483.db2.gz LORLSXBTLSBCPL-AWEZNQCLSA-N 0 1 387.492 0.458 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@H]([C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573456793 945898464 /nfs/dbraw/zinc/89/84/64/945898464.db2.gz PFAYAINKJXERFE-YPMHNXCESA-N 0 1 386.460 0.247 20 0 GCADMN CC(C)[C@H](C(=O)N1C[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C(C)(C)C1)[NH+](C)C ZINC001571284245 945900480 /nfs/dbraw/zinc/90/04/80/945900480.db2.gz OCLXEKBIAFHLKO-DZGCQCFKSA-N 0 1 387.492 0.892 20 0 GCADMN CCc1nc(-c2nn[n-]n2)cc(N(C)[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)n1 ZINC001571284416 945901057 /nfs/dbraw/zinc/90/10/57/945901057.db2.gz QERNXFNGAKWUSN-GXTWGEPZSA-N 0 1 387.492 0.596 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573457403 945904912 /nfs/dbraw/zinc/90/49/12/945904912.db2.gz WEPVEYKTHNPCLO-ZWNOBZJWSA-N 0 1 391.501 0.779 20 0 GCADMN 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ZINC001571285843 945930296 /nfs/dbraw/zinc/93/02/96/945930296.db2.gz PNLYEAQFCPHXCJ-NSHDSACASA-N 0 1 387.835 0.787 20 0 GCADMN Cn1ncc(Cl)c1C(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571286019 945935763 /nfs/dbraw/zinc/93/57/63/945935763.db2.gz VBKZLZPWWSUQLJ-UHFFFAOYSA-N 0 1 387.835 0.691 20 0 GCADMN O=S(=O)(NC[C@@H](O)c1cncs1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC001571286115 945937107 /nfs/dbraw/zinc/93/71/07/945937107.db2.gz YKCVLHLELQIRPQ-SECBINFHSA-N 0 1 388.381 0.613 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1CC[C@@H](C)N(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573462299 945937913 /nfs/dbraw/zinc/93/79/13/945937913.db2.gz FUKRYOYHSBUFAZ-PWSUYJOCSA-N 0 1 387.448 0.045 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573462437 945943101 /nfs/dbraw/zinc/94/31/01/945943101.db2.gz JOJNOICRBNSMBW-UHFFFAOYSA-N 0 1 389.435 0.659 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NC[C@H](C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573462788 945946655 /nfs/dbraw/zinc/94/66/55/945946655.db2.gz NDOWXFVUCIVMQZ-NSHDSACASA-N 0 1 391.451 0.857 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573463331 945953658 /nfs/dbraw/zinc/95/36/58/945953658.db2.gz VCAQMYRYPJBHTI-HNNXBMFYSA-N 0 1 385.472 0.862 20 0 GCADMN Cc1c(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cccc1C(=O)N1CCCC1 ZINC000822075845 945961165 /nfs/dbraw/zinc/96/11/65/945961165.db2.gz JNLAZCPJEVQYRO-UHFFFAOYSA-N 0 1 381.400 0.641 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573464254 945964177 /nfs/dbraw/zinc/96/41/77/945964177.db2.gz IMVQEJAMWXMWID-HAQNSBGRSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573464254 945964185 /nfs/dbraw/zinc/96/41/85/945964185.db2.gz IMVQEJAMWXMWID-HAQNSBGRSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001573464505 945966461 /nfs/dbraw/zinc/96/64/61/945966461.db2.gz LCYKGGAPUZOCTH-QMTHXVAHSA-N 0 1 386.460 0.426 20 0 GCADMN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822168140 945968782 /nfs/dbraw/zinc/96/87/82/945968782.db2.gz LWUSRJKUWGVJRX-UHFFFAOYSA-N 0 1 381.400 0.641 20 0 GCADMN CC(=O)NC(C)(C)C(=O)NCCN(Cc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC001573465207 945971008 /nfs/dbraw/zinc/97/10/08/945971008.db2.gz VBAIDJRSGFVJJM-UHFFFAOYSA-N 0 1 385.472 0.862 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)CC[C@@H](Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573467588 945981126 /nfs/dbraw/zinc/98/11/26/945981126.db2.gz FQMVBYHQVDCPKY-IUODEOHRSA-N 0 1 388.476 0.493 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)C1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573467572 945981723 /nfs/dbraw/zinc/98/17/23/945981723.db2.gz FJDUIXFCIPJCLG-NSHDSACASA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573467939 945986445 /nfs/dbraw/zinc/98/64/45/945986445.db2.gz JLLBIMJCXKPGSX-QMTHXVAHSA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573467939 945986455 /nfs/dbraw/zinc/98/64/55/945986455.db2.gz JLLBIMJCXKPGSX-QMTHXVAHSA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573468370 945993457 /nfs/dbraw/zinc/99/34/57/945993457.db2.gz NGPLIEQJXUZWHZ-SMDDNHRTSA-N 0 1 389.435 0.563 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573468368 945993710 /nfs/dbraw/zinc/99/37/10/945993710.db2.gz NGPLIEQJXUZWHZ-FZMZJTMJSA-N 0 1 389.435 0.563 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)[C@@H](C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573469731 946007568 /nfs/dbraw/zinc/00/75/68/946007568.db2.gz XDLCCMOYEARNQX-NKWVEPMBSA-N 0 1 386.869 0.760 20 0 GCADMN Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)cn1 ZINC001571289585 946012876 /nfs/dbraw/zinc/01/28/76/946012876.db2.gz IEQLFFMGJPSQGJ-LBPRGKRZSA-N 0 1 388.457 0.293 20 0 GCADMN Cn1cc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)cn1 ZINC001571289585 946012883 /nfs/dbraw/zinc/01/28/83/946012883.db2.gz IEQLFFMGJPSQGJ-LBPRGKRZSA-N 0 1 388.457 0.293 20 0 GCADMN C[C@H](NCc1nccs1)[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571289797 946016624 /nfs/dbraw/zinc/01/66/24/946016624.db2.gz MTDBHZORLDUDIJ-GWCFXTLKSA-N 0 1 388.457 0.671 20 0 GCADMN C[C@@H](NCc1nccs1)[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571289800 946016729 /nfs/dbraw/zinc/01/67/29/946016729.db2.gz MTDBHZORLDUDIJ-ZWNOBZJWSA-N 0 1 388.457 0.671 20 0 GCADMN C[C@H](C(=O)N(C)C)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC001571289968 946022145 /nfs/dbraw/zinc/02/21/45/946022145.db2.gz RCQWOWHUASLGAX-RISCZKNCSA-N 0 1 388.476 0.502 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1-c1nn[nH]n1 ZINC001573470446 946024809 /nfs/dbraw/zinc/02/48/09/946024809.db2.gz FFHOJLLZHWMTIE-WQVCFCJDSA-N 0 1 383.456 0.567 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC(N(C)c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573470468 946025139 /nfs/dbraw/zinc/02/51/39/946025139.db2.gz FNLUQEZSIBYJAS-LBPRGKRZSA-N 0 1 386.460 0.522 20 0 GCADMN O=C(CCN1CC[C@@H](F)C1)NC1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571290262 946035180 /nfs/dbraw/zinc/03/51/80/946035180.db2.gz YVRAXWKFMUQGCG-CQSZACIVSA-N 0 1 388.451 0.781 20 0 GCADMN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)c1-c1nn[n-]n1 ZINC001571290306 946040199 /nfs/dbraw/zinc/04/01/99/946040199.db2.gz AAHVFPXXNGEDDL-FJJYHAOUSA-N 0 1 388.501 0.524 20 0 GCADMN Cc1nsc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@H+](C)C2)c1-c1nn[n-]n1 ZINC001571290306 946040212 /nfs/dbraw/zinc/04/02/12/946040212.db2.gz AAHVFPXXNGEDDL-FJJYHAOUSA-N 0 1 388.501 0.524 20 0 GCADMN Cc1[nH]nc(Cl)c1C(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571290395 946040854 /nfs/dbraw/zinc/04/08/54/946040854.db2.gz CUVPUNPLNUQNPD-SECBINFHSA-N 0 1 388.823 0.338 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CC[C@H](NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573471358 946049243 /nfs/dbraw/zinc/04/92/43/946049243.db2.gz ODKQVPONIGAORY-HZMBPMFUSA-N 0 1 375.408 0.221 20 0 GCADMN Cn1cc(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c(Cl)n1 ZINC001571290699 946053260 /nfs/dbraw/zinc/05/32/60/946053260.db2.gz MFFWYTHIRHWGKS-VIFPVBQESA-N 0 1 388.823 0.300 20 0 GCADMN Cc1c(Cl)c(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nn1C ZINC001571290789 946056141 /nfs/dbraw/zinc/05/61/41/946056141.db2.gz PALRHJALAPQVDQ-VIFPVBQESA-N 0 1 388.823 0.101 20 0 GCADMN O=C(N[C@@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1)c1ncn[nH]1 ZINC001571290916 946058797 /nfs/dbraw/zinc/05/87/97/946058797.db2.gz UNXDFHMEBIUKQH-SNVBAGLBSA-N 0 1 388.823 0.822 20 0 GCADMN O=C(N[C@@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2Cl)CC1)c1nc[nH]n1 ZINC001571290916 946058810 /nfs/dbraw/zinc/05/88/10/946058810.db2.gz UNXDFHMEBIUKQH-SNVBAGLBSA-N 0 1 388.823 0.822 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573472200 946061184 /nfs/dbraw/zinc/06/11/84/946061184.db2.gz UQEHBSUICAEHSQ-QMTHXVAHSA-N 0 1 375.408 0.221 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573472143 946062213 /nfs/dbraw/zinc/06/22/13/946062213.db2.gz SSRRBWDGJSKEDG-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573472143 946062225 /nfs/dbraw/zinc/06/22/25/946062225.db2.gz SSRRBWDGJSKEDG-YPMHNXCESA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472158 946062323 /nfs/dbraw/zinc/06/23/23/946062323.db2.gz TXWPVMPBOBRDFR-PWSUYJOCSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573472158 946062339 /nfs/dbraw/zinc/06/23/39/946062339.db2.gz TXWPVMPBOBRDFR-PWSUYJOCSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472356 946064169 /nfs/dbraw/zinc/06/41/69/946064169.db2.gz VRRXGZOKKJNOTO-PWSUYJOCSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573472356 946064180 /nfs/dbraw/zinc/06/41/80/946064180.db2.gz VRRXGZOKKJNOTO-PWSUYJOCSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573472660 946066668 /nfs/dbraw/zinc/06/66/68/946066668.db2.gz XAPAHODFKJHHJY-LLVKDONJSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573472660 946066680 /nfs/dbraw/zinc/06/66/80/946066680.db2.gz XAPAHODFKJHHJY-LLVKDONJSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC([N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573472660 946066693 /nfs/dbraw/zinc/06/66/93/946066693.db2.gz XAPAHODFKJHHJY-LLVKDONJSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573472660 946066710 /nfs/dbraw/zinc/06/67/10/946066710.db2.gz XAPAHODFKJHHJY-LLVKDONJSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573472639 946066816 /nfs/dbraw/zinc/06/68/16/946066816.db2.gz WTYACLXEFJOKDP-JQWIXIFHSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573472639 946066829 /nfs/dbraw/zinc/06/68/29/946066829.db2.gz WTYACLXEFJOKDP-JQWIXIFHSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)CC1 ZINC001573473368 946080977 /nfs/dbraw/zinc/08/09/77/946080977.db2.gz BUFYSKBSTDPVAC-ZETCQYMHSA-N 0 1 384.853 0.150 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001573473783 946082791 /nfs/dbraw/zinc/08/27/91/946082791.db2.gz FLQYMAJRFCKEKK-JCURWCKSSA-N 0 1 383.456 0.424 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@](C)(CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C1CC1 ZINC001573473705 946084353 /nfs/dbraw/zinc/08/43/53/946084353.db2.gz FIFJPCVYELQUMW-BBATYDOGSA-N 0 1 386.460 0.213 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001573475378 946099481 /nfs/dbraw/zinc/09/94/81/946099481.db2.gz SSCNOVMIWUVMIG-WCFLWFBJSA-N 0 1 389.485 0.343 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C[C@@H]2C1 ZINC001573475378 946099493 /nfs/dbraw/zinc/09/94/93/946099493.db2.gz SSCNOVMIWUVMIG-WCFLWFBJSA-N 0 1 389.485 0.343 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001573475378 946099506 /nfs/dbraw/zinc/09/95/06/946099506.db2.gz SSCNOVMIWUVMIG-WCFLWFBJSA-N 0 1 389.485 0.343 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@@H]2C1 ZINC001573475378 946099517 /nfs/dbraw/zinc/09/95/17/946099517.db2.gz SSCNOVMIWUVMIG-WCFLWFBJSA-N 0 1 389.485 0.343 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC1CCC(Nc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573475763 946104003 /nfs/dbraw/zinc/10/40/03/946104003.db2.gz AMYPEQWAXTUEOT-LMWSTFAQSA-N 0 1 386.460 0.356 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@@]1(C)CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573475726 946104425 /nfs/dbraw/zinc/10/44/25/946104425.db2.gz AEUQWQFHLYZKPE-VOJFVSQTSA-N 0 1 389.435 0.611 20 0 GCADMN CN1CCC[C@H]1C(=O)NC[C@@H]1CN(c2cccc(F)c2-c2nn[nH]n2)CCO1 ZINC001571293436 946106035 /nfs/dbraw/zinc/10/60/35/946106035.db2.gz ILNJHMKEWRFDMM-DOMZBBRYSA-N 0 1 389.435 0.421 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N1C[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)[C@H](C)C1 ZINC001573476081 946111063 /nfs/dbraw/zinc/11/10/63/946111063.db2.gz YTSKDIIORFSNBH-MPKXVKKWSA-N 0 1 386.460 0.023 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573476100 946111270 /nfs/dbraw/zinc/11/12/70/946111270.db2.gz ZARJNXXAPGPLSW-BTDLBPIBSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@@](C)(C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573476100 946111274 /nfs/dbraw/zinc/11/12/74/946111274.db2.gz ZARJNXXAPGPLSW-BTDLBPIBSA-N 0 1 391.501 0.827 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)CC(C)C ZINC001573476157 946113452 /nfs/dbraw/zinc/11/34/52/946113452.db2.gz CWSBLSXDIQKUQB-OCCSQVGLSA-N 0 1 388.476 0.459 20 0 GCADMN O=C(N1CCCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C1(F)CCCC1 ZINC001571293795 946115946 /nfs/dbraw/zinc/11/59/46/946115946.db2.gz RWAGWPXPVILNHD-ZDUSSCGKSA-N 0 1 389.435 0.995 20 0 GCADMN O=C(Cc1ccon1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571294054 946123372 /nfs/dbraw/zinc/12/33/72/946123372.db2.gz YZAZPPRFNJTSBT-LBPRGKRZSA-N 0 1 389.441 0.476 20 0 GCADMN O=C(Cc1ccon1)N1CCO[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571294054 946123379 /nfs/dbraw/zinc/12/33/79/946123379.db2.gz YZAZPPRFNJTSBT-LBPRGKRZSA-N 0 1 389.441 0.476 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)C(C)(C)C ZINC001573476928 946128618 /nfs/dbraw/zinc/12/86/18/946128618.db2.gz LJPJICKEAUILBW-XHDPSFHLSA-N 0 1 388.476 0.459 20 0 GCADMN O=C([C@@H]1CC1(F)F)N1C[C@@H]2CCC[C@]2(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571294217 946129833 /nfs/dbraw/zinc/12/98/33/946129833.db2.gz BEVFTFRGEVFUJT-MMPTUQATSA-N 0 1 390.398 0.774 20 0 GCADMN CC1(C)CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001571294341 946131610 /nfs/dbraw/zinc/13/16/10/946131610.db2.gz GFAPPUUXOSPEEW-YPMHNXCESA-N 0 1 389.485 0.533 20 0 GCADMN CC1(C)CN(C(=O)[C@H]2CCC(=O)N2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001571294341 946131615 /nfs/dbraw/zinc/13/16/15/946131615.db2.gz GFAPPUUXOSPEEW-YPMHNXCESA-N 0 1 389.485 0.533 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)CC1(C)C ZINC001573477468 946136770 /nfs/dbraw/zinc/13/67/70/946136770.db2.gz RBNUEYOMKMFWIN-XHDPSFHLSA-N 0 1 386.460 0.507 20 0 GCADMN C[C@@H](C(=O)N[C@H](CC(N)=O)c1ccccc1Cl)n1cnc(-c2nn[nH]n2)n1 ZINC001571294761 946143950 /nfs/dbraw/zinc/14/39/50/946143950.db2.gz LZQQOVUSSFGSKK-GZMMTYOYSA-N 0 1 389.807 0.406 20 0 GCADMN O=C(N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cc(C(F)F)n[nH]1 ZINC001571294832 946145261 /nfs/dbraw/zinc/14/52/61/946145261.db2.gz NFPPRQVNGMCIOE-QMMMGPOBSA-N 0 1 390.358 0.716 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001573478131 946146222 /nfs/dbraw/zinc/14/62/22/946146222.db2.gz VJKSOBXLBYNENB-LLVKDONJSA-N 0 1 391.501 0.971 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001573478131 946146225 /nfs/dbraw/zinc/14/62/25/946146225.db2.gz VJKSOBXLBYNENB-LLVKDONJSA-N 0 1 391.501 0.971 20 0 GCADMN Cn1cc(C[C@H]2CCN(CC(=O)NCc3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC000822674405 946151614 /nfs/dbraw/zinc/15/16/14/946151614.db2.gz SFVIYGIEMYPGLZ-OAHLLOKOSA-N 0 1 380.456 0.781 20 0 GCADMN CC[C@@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nnn[n-]2)C1)[NH+](C)C ZINC001571295034 946151984 /nfs/dbraw/zinc/15/19/84/946151984.db2.gz NSHSTEDHMHTOKG-STQMWFEESA-N 0 1 389.464 0.026 20 0 GCADMN CC[C@@H](C(=O)N1CCCO[C@@H](CNc2nccnc2-c2nn[n-]n2)C1)[NH+](C)C ZINC001571295034 946151991 /nfs/dbraw/zinc/15/19/91/946151991.db2.gz NSHSTEDHMHTOKG-STQMWFEESA-N 0 1 389.464 0.026 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573479226 946154596 /nfs/dbraw/zinc/15/45/96/946154596.db2.gz APOKBYLXYDTSCS-IAQYHMDHSA-N 0 1 389.435 0.611 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001573479342 946157434 /nfs/dbraw/zinc/15/74/34/946157434.db2.gz BTYHXOQPDPSKRD-LLVKDONJSA-N 0 1 391.501 0.971 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001573479342 946157440 /nfs/dbraw/zinc/15/74/40/946157440.db2.gz BTYHXOQPDPSKRD-LLVKDONJSA-N 0 1 391.501 0.971 20 0 GCADMN CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)c2ncc(-c3nn[nH]n3)cc2Cl)n[nH]1 ZINC001571295233 946157838 /nfs/dbraw/zinc/15/78/38/946157838.db2.gz QLPQTECEZMXHLT-SCZZXKLOSA-N 0 1 389.807 0.544 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(C)C ZINC001573479420 946159287 /nfs/dbraw/zinc/15/92/87/946159287.db2.gz CPPMMAMYHSLANA-MFKMUULPSA-N 0 1 379.490 0.683 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(C)C ZINC001573479420 946159290 /nfs/dbraw/zinc/15/92/90/946159290.db2.gz CPPMMAMYHSLANA-MFKMUULPSA-N 0 1 379.490 0.683 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@]1(C)CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001573479521 946161031 /nfs/dbraw/zinc/16/10/31/946161031.db2.gz DWUOAUZUSBKLPS-XIKOKIGWSA-N 0 1 386.460 0.509 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NCC[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573479795 946168248 /nfs/dbraw/zinc/16/82/48/946168248.db2.gz HJSALQBNHRCXPM-NKWVEPMBSA-N 0 1 386.869 0.808 20 0 GCADMN O=C(NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCC(F)CC1 ZINC001571295646 946169926 /nfs/dbraw/zinc/16/99/26/946169926.db2.gz APFRSDWLFPMMON-WXRRBKDZSA-N 0 1 390.423 0.506 20 0 GCADMN O=C(NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccc(F)s1 ZINC001571295824 946176224 /nfs/dbraw/zinc/17/62/24/946176224.db2.gz GZAFGHWLSLYGND-SECBINFHSA-N 0 1 390.404 0.493 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573480910 946177400 /nfs/dbraw/zinc/17/74/00/946177400.db2.gz MRSRVKTVHVHTJC-PWSUYJOCSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573480910 946177406 /nfs/dbraw/zinc/17/74/06/946177406.db2.gz MRSRVKTVHVHTJC-PWSUYJOCSA-N 0 1 377.474 0.533 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NCC1(NCc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573481340 946179997 /nfs/dbraw/zinc/17/99/97/946179997.db2.gz OBQAYWDOAPEHDE-SNVBAGLBSA-N 0 1 375.408 0.269 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)NC[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573482098 946191343 /nfs/dbraw/zinc/19/13/43/946191343.db2.gz VANIOWIGLOUWGP-FZMZJTMJSA-N 0 1 389.435 0.611 20 0 GCADMN O=C([C@H]1Cc2cccnc2C1)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571298234 946210690 /nfs/dbraw/zinc/21/06/90/946210690.db2.gz KOQXHVIYUZJBPC-LSDHHAIUSA-N 0 1 390.451 0.897 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)C1Cc2ccccc2C1 ZINC001571298593 946222617 /nfs/dbraw/zinc/22/26/17/946222617.db2.gz HIOFBQQCELGULD-BLLLJJGKSA-N 0 1 390.451 0.895 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573485547 946230870 /nfs/dbraw/zinc/23/08/70/946230870.db2.gz VTPSFYNBRZNKQD-BTQDYEIMSA-N 0 1 384.444 0.321 20 0 GCADMN NC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571298933 946231841 /nfs/dbraw/zinc/23/18/41/946231841.db2.gz RWDHDHFCXKBECF-JQWIXIFHSA-N 0 1 390.473 0.162 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001573486419 946240202 /nfs/dbraw/zinc/24/02/02/946240202.db2.gz GEHILNUOCSTWIJ-JTAMENNWSA-N 0 1 387.419 0.077 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)[C@@H]1C ZINC001573486384 946241234 /nfs/dbraw/zinc/24/12/34/946241234.db2.gz FAWSXXOTXGIZFI-UVWXRNBGSA-N 0 1 389.435 0.609 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@H]1CCN(Cc2ccc(F)c(-c3nn[nH]n3)c2)[C@@H]1C ZINC001573487302 946249799 /nfs/dbraw/zinc/24/97/99/946249799.db2.gz MGSMWTPLSHVZKM-UVWXRNBGSA-N 0 1 389.435 0.609 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001573487311 946250591 /nfs/dbraw/zinc/25/05/91/946250591.db2.gz MTLHXKIEVPBBDB-FKSAFCJBSA-N 0 1 383.456 0.613 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001573487312 946251895 /nfs/dbraw/zinc/25/18/95/946251895.db2.gz MTLHXKIEVPBBDB-JKEMJCCQSA-N 0 1 383.456 0.613 20 0 GCADMN CC(=O)N[C@@H](CCC(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001573488064 946265637 /nfs/dbraw/zinc/26/56/37/946265637.db2.gz XGIOBDOYYBSIDM-ZDUSSCGKSA-N 0 1 389.464 0.150 20 0 GCADMN CC(=O)NC1(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCCC1 ZINC001573488516 946266027 /nfs/dbraw/zinc/26/60/27/946266027.db2.gz AUEJMUMIRYWFAH-ZDUSSCGKSA-N 0 1 384.444 0.145 20 0 GCADMN CC(=O)NC1(C(=O)N[C@H](C)[C@@H](C)Nc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001573488778 946275723 /nfs/dbraw/zinc/27/57/23/946275723.db2.gz LUARYAJQJNOHPD-VXGBXAGGSA-N 0 1 386.460 0.438 20 0 GCADMN CC(=O)NC1(C(=O)N(C)[C@H](C)CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001573488856 946276810 /nfs/dbraw/zinc/27/68/10/946276810.db2.gz OGVJRRSSWQZNAT-GFCCVEGCSA-N 0 1 386.460 0.391 20 0 GCADMN C[C@H]1CN(C(=O)c2ocnc2C(F)F)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571301761 946283451 /nfs/dbraw/zinc/28/34/51/946283451.db2.gz CFAJKRZCVWZLMI-YUMQZZPRSA-N 0 1 391.342 0.577 20 0 GCADMN CC(=O)NC1(C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)CCCC1 ZINC001573489041 946285732 /nfs/dbraw/zinc/28/57/32/946285732.db2.gz VLFVWWKJGGCPQM-GFCCVEGCSA-N 0 1 386.460 0.297 20 0 GCADMN Cc1cc(N[C@@H]2C[C@H](NC(=O)c3cnccn3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302888 946317697 /nfs/dbraw/zinc/31/76/97/946317697.db2.gz INFHAAUHGIORJZ-CVEARBPZSA-N 0 1 391.439 0.935 20 0 GCADMN Cc1cc(N[C@H]2C[C@@H](NC(=O)c3cnccn3)C23CCC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571302891 946318218 /nfs/dbraw/zinc/31/82/18/946318218.db2.gz INFHAAUHGIORJZ-JKSUJKDBSA-N 0 1 391.439 0.935 20 0 GCADMN O=C(N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21)c1cc2n(n1)CCCC2 ZINC001571303092 946323846 /nfs/dbraw/zinc/32/38/46/946323846.db2.gz LELZPTGTSVXOIQ-HALDLXJZSA-N 0 1 391.439 0.659 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)[C@@H]1COc2ccccc2C1 ZINC001571303342 946333419 /nfs/dbraw/zinc/33/34/19/946333419.db2.gz KSJYNJPDVJYBHJ-SOUVJXGZSA-N 0 1 391.435 0.994 20 0 GCADMN CC(=O)NC1CCN(C(=O)CCCN(C)c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573497145 946344053 /nfs/dbraw/zinc/34/40/53/946344053.db2.gz LXIIPLHTMUTJRS-UHFFFAOYSA-N 0 1 387.448 0.000 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001571303683 946344255 /nfs/dbraw/zinc/34/42/55/946344255.db2.gz PITISENWWHDIEH-DCAQKATOSA-N 0 1 391.436 0.439 20 0 GCADMN CC(=O)NCC(=O)N(C)[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573497450 946348472 /nfs/dbraw/zinc/34/84/72/946348472.db2.gz RDYYGAQORDVWRG-ZDUSSCGKSA-N 0 1 375.408 0.175 20 0 GCADMN CC(=O)NCC(=O)N(C)C1CCN(Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573498130 946356552 /nfs/dbraw/zinc/35/65/52/946356552.db2.gz XQUCPSKUIUAQQX-UHFFFAOYSA-N 0 1 389.435 0.565 20 0 GCADMN CN1CCc2cc(C(=O)N[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)ccc21 ZINC001571304084 946357370 /nfs/dbraw/zinc/35/73/70/946357370.db2.gz XRMJWBXNVHDNPN-AWEZNQCLSA-N 0 1 391.439 0.658 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCCCCNC(=O)CC2)cc1-c1nn[nH]n1 ZINC001571305751 946373499 /nfs/dbraw/zinc/37/34/99/946373499.db2.gz BSKFUMJOVRMVBB-UHFFFAOYSA-N 0 1 391.457 0.822 20 0 GCADMN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573500923 946377849 /nfs/dbraw/zinc/37/78/49/946377849.db2.gz LNGLGPSCJTXXJS-JQWIXIFHSA-N 0 1 377.474 0.248 20 0 GCADMN CC(=O)NCC(=O)N1C[C@H](C)[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573500923 946377861 /nfs/dbraw/zinc/37/78/61/946377861.db2.gz LNGLGPSCJTXXJS-JQWIXIFHSA-N 0 1 377.474 0.248 20 0 GCADMN O=C(N[C@@H]1CN(c2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1O)[C@@H]1CC1(F)F ZINC001571305876 946378433 /nfs/dbraw/zinc/37/84/33/946378433.db2.gz MTNFSFNQHSQENB-JKUQZMGJSA-N 0 1 391.791 0.298 20 0 GCADMN CC(=O)NCC(=O)N1CC2(C1)CCN(Cc1cc(F)ccc1-c1nn[nH]n1)C2 ZINC001573501032 946379765 /nfs/dbraw/zinc/37/97/65/946379765.db2.gz NQGWJKZLRSNYLM-UHFFFAOYSA-N 0 1 387.419 0.176 20 0 GCADMN CC[C@@H](SC)C(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001571305975 946381433 /nfs/dbraw/zinc/38/14/33/946381433.db2.gz NFQPDKZASSYIDA-CQSZACIVSA-N 0 1 391.501 0.591 20 0 GCADMN O=C(c1nc(Cl)cs1)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571305990 946382439 /nfs/dbraw/zinc/38/24/39/946382439.db2.gz NLPSGPCBUSVQOL-MRVPVSSYSA-N 0 1 391.848 0.905 20 0 GCADMN CC(=O)NCC(=O)N1C[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)C[C@@H]1C ZINC001573502505 946387794 /nfs/dbraw/zinc/38/77/94/946387794.db2.gz WUCFXJYBRGMOFT-POYBYMJQSA-N 0 1 384.853 0.514 20 0 GCADMN O=C(NC1CCC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC1)[C@H]1COC(=O)N1 ZINC001571306138 946387993 /nfs/dbraw/zinc/38/79/93/946387993.db2.gz HJYPZVKMOBIXHF-RTYFJBAXSA-N 0 1 391.457 0.554 20 0 GCADMN O=C(NC1CCC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC1)[C@H]1COC(=O)N1 ZINC001571306138 946388005 /nfs/dbraw/zinc/38/80/05/946388005.db2.gz HJYPZVKMOBIXHF-RTYFJBAXSA-N 0 1 391.457 0.554 20 0 GCADMN C[C@H]1CN(C(=O)c2scnc2Cl)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571306080 946388421 /nfs/dbraw/zinc/38/84/21/946388421.db2.gz PDISTEMRJYSYIZ-JGVFFNPUSA-N 0 1 391.848 0.761 20 0 GCADMN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573503889 946399143 /nfs/dbraw/zinc/39/91/43/946399143.db2.gz CDZICNFKLVFEFX-SMDDNHRTSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573503889 946399149 /nfs/dbraw/zinc/39/91/49/946399149.db2.gz CDZICNFKLVFEFX-SMDDNHRTSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(=O)N1CCC[C@@H](N(C)Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573504725 946415423 /nfs/dbraw/zinc/41/54/23/946415423.db2.gz IOHKVCVDMJNDPU-OAHLLOKOSA-N 0 1 389.435 0.565 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@@H]2[C@@H](CCN2c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573505108 946417538 /nfs/dbraw/zinc/41/75/38/946417538.db2.gz JVSCCSYJXMWAIB-DZGCQCFKSA-N 0 1 384.444 0.133 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573505454 946421582 /nfs/dbraw/zinc/42/15/82/946421582.db2.gz NZJGBTCBVVOANM-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573505454 946421587 /nfs/dbraw/zinc/42/15/87/946421587.db2.gz NZJGBTCBVVOANM-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573505454 946421596 /nfs/dbraw/zinc/42/15/96/946421596.db2.gz NZJGBTCBVVOANM-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573505454 946421605 /nfs/dbraw/zinc/42/16/05/946421605.db2.gz NZJGBTCBVVOANM-GFCCVEGCSA-N 0 1 377.474 0.345 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573505845 946423595 /nfs/dbraw/zinc/42/35/95/946423595.db2.gz OPAIPJZCIPHCTP-DGCLKSJQSA-N 0 1 391.501 0.639 20 0 GCADMN CC(=O)NCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573505845 946423604 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/nfs/dbraw/zinc/62/17/56/946621756.db2.gz WVVWDAZDCHQXSG-GXTWGEPZSA-N 0 1 392.485 0.670 20 0 GCADMN C[C@H]1CN(S(=O)(=O)c2ccsc2-c2nn[nH]n2)CCN1c1cnccn1 ZINC001571317780 946621897 /nfs/dbraw/zinc/62/18/97/946621897.db2.gz VSCDVNVSMYFNDF-JTQLQIEISA-N 0 1 392.470 0.618 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573522212 946622005 /nfs/dbraw/zinc/62/20/05/946622005.db2.gz CFCCPFUDZRMMPI-LBPRGKRZSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573522733 946629465 /nfs/dbraw/zinc/62/94/65/946629465.db2.gz JDLLUCJYLRONAX-CYBMUJFWSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573523139 946634169 /nfs/dbraw/zinc/63/41/69/946634169.db2.gz OWVFNPYBKQUODZ-INIZCTEOSA-N 0 1 385.472 0.720 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001573523848 946639445 /nfs/dbraw/zinc/63/94/45/946639445.db2.gz XIWSEPVZZUJUBO-VXGBXAGGSA-N 0 1 388.476 0.541 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573527530 946643618 /nfs/dbraw/zinc/64/36/18/946643618.db2.gz BRBUAEAJEJYJTK-JTQLQIEISA-N 0 1 379.490 0.685 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573527530 946643628 /nfs/dbraw/zinc/64/36/28/946643628.db2.gz BRBUAEAJEJYJTK-JTQLQIEISA-N 0 1 379.490 0.685 20 0 GCADMN CC(=O)NCC(C)(C)C(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573527721 946645257 /nfs/dbraw/zinc/64/52/57/946645257.db2.gz FSYYCEHJJUPMGW-UHFFFAOYSA-N 0 1 386.460 0.153 20 0 GCADMN CC(=O)NCCCCCC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573529923 946681206 /nfs/dbraw/zinc/68/12/06/946681206.db2.gz PHHIBFJGZCSMLJ-CQSZACIVSA-N 0 1 386.460 0.393 20 0 GCADMN CC(=O)NC[C@H]1CN(C(=O)Nc2nc(Cl)c(-c3nn[nH]n3)s2)CCO1 ZINC001573529925 946681461 /nfs/dbraw/zinc/68/14/61/946681461.db2.gz PIQYWWQRBYVOST-ZETCQYMHSA-N 0 1 386.825 0.345 20 0 GCADMN CC(=O)NCc1ccc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)cc1 ZINC001573533235 946711708 /nfs/dbraw/zinc/71/17/08/946711708.db2.gz LHESJNRLDOULOG-UHFFFAOYSA-N 0 1 376.398 0.574 20 0 GCADMN CC(=O)N[C@@H](C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)C(C)C ZINC001573537054 946743326 /nfs/dbraw/zinc/74/33/26/946743326.db2.gz FXHXKCAYVRPFRW-JKSUJKDBSA-N 0 1 386.460 0.151 20 0 GCADMN CC(=O)N[C@@H](C(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573537557 946753206 /nfs/dbraw/zinc/75/32/06/946753206.db2.gz ORXKOXVNYHVMTK-XJKSGUPXSA-N 0 1 386.460 0.247 20 0 GCADMN CC(=O)N[C@@H](CC(C)C)C(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001573537927 946759907 /nfs/dbraw/zinc/75/99/07/946759907.db2.gz NDJVEWOLZWBRLT-DOMZBBRYSA-N 0 1 388.476 0.753 20 0 GCADMN CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573538242 946766306 /nfs/dbraw/zinc/76/63/06/946766306.db2.gz QVXBTGXLOQLAPH-XEZPLFJOSA-N 0 1 386.460 0.294 20 0 GCADMN CC(=O)N[C@@H](C(=O)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(C)C ZINC001573538634 946774234 /nfs/dbraw/zinc/77/42/34/946774234.db2.gz ZENZRTNMZBGAMA-XJKSGUPXSA-N 0 1 386.460 0.105 20 0 GCADMN CC(=O)N[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)C(C)(C)C ZINC001573540373 946776069 /nfs/dbraw/zinc/77/60/69/946776069.db2.gz BKLJCCCCTLIFES-CQSZACIVSA-N 0 1 386.460 0.295 20 0 GCADMN CC(=O)N[C@H](C(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1)C(C)(C)C ZINC001573540411 946776413 /nfs/dbraw/zinc/77/64/13/946776413.db2.gz DCHHFWXOCUDWPI-IAQYHMDHSA-N 0 1 388.476 0.753 20 0 GCADMN CC(=O)N[C@H](CC(C)C)C(=O)NC[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001573541057 946782667 /nfs/dbraw/zinc/78/26/67/946782667.db2.gz NFBNKOKZOKEFFJ-MLGOLLRUSA-N 0 1 388.476 0.399 20 0 GCADMN CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001573543276 946807606 /nfs/dbraw/zinc/80/76/06/946807606.db2.gz URKCKTLRYMJCQA-BDJLRTHQSA-N 0 1 386.460 0.295 20 0 GCADMN CC(=O)Nc1ccc2c(c1)CN(C(=O)[C@@H](C)n1cnc(-c3nn[nH]n3)n1)CC2 ZINC001573546907 946820721 /nfs/dbraw/zinc/82/07/21/946820721.db2.gz RATHMRXTNUUZEE-SNVBAGLBSA-N 0 1 381.400 0.563 20 0 GCADMN CC(=O)Nc1ccc2c(c1)CN(C(=O)[C@H](C)n1cnc(-c3nn[nH]n3)n1)CC2 ZINC001573546905 946821739 /nfs/dbraw/zinc/82/17/39/946821739.db2.gz RATHMRXTNUUZEE-JTQLQIEISA-N 0 1 381.400 0.563 20 0 GCADMN CC(=O)Nc1cccc(C(=O)NC[C@H](C)Nc2ccncc2-c2nn[nH]n2)c1 ZINC001573547034 946825655 /nfs/dbraw/zinc/82/56/55/946825655.db2.gz UQJJQNRGIQVKSW-NSHDSACASA-N 0 1 380.412 0.872 20 0 GCADMN CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@](C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573584951 947240260 /nfs/dbraw/zinc/24/02/60/947240260.db2.gz BBSOYOUGDZJUDM-KZULUSFZSA-N 0 1 388.476 0.644 20 0 GCADMN CC(C)N(C)C(=O)[C@H](C)N1CC[C@](C)(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573584953 947240378 /nfs/dbraw/zinc/24/03/78/947240378.db2.gz BBSOYOUGDZJUDM-SGTLLEGYSA-N 0 1 388.476 0.644 20 0 GCADMN CC(C)N(C)C(=O)[C@H](C)N1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573587167 947299367 /nfs/dbraw/zinc/29/93/67/947299367.db2.gz XAKNXSNDRZKBMD-LBPRGKRZSA-N 0 1 388.476 0.644 20 0 GCADMN C=C/C(C)=C\CC(=O)N1CCC[C@@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573317725 947299709 /nfs/dbraw/zinc/29/97/09/947299709.db2.gz OZBVRTLVUCDOSK-NGRHDWKPSA-N 0 1 383.456 0.971 20 0 GCADMN C[C@@H](C(=O)N(C)[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573591387 947309032 /nfs/dbraw/zinc/30/90/32/947309032.db2.gz BBJPZFQWNLPHFD-YPMHNXCESA-N 0 1 382.432 0.231 20 0 GCADMN C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(C)(F)F ZINC001573591983 947324218 /nfs/dbraw/zinc/32/42/18/947324218.db2.gz HSMSCAPSBXKLKR-MNOVXSKESA-N 0 1 383.403 0.809 20 0 GCADMN C[C@H](C(=O)N(C)C[C@@H](O)CN(C)c1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573592878 947351592 /nfs/dbraw/zinc/35/15/92/947351592.db2.gz OCDRUTZNHIIESD-ZJUUUORDSA-N 0 1 387.366 0.716 20 0 GCADMN CN(C)c1nccc(CN2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)n1 ZINC000825888838 947359439 /nfs/dbraw/zinc/35/94/39/947359439.db2.gz WJHKXQYHAZFSRX-UHFFFAOYSA-N 0 1 396.459 0.910 20 0 GCADMN C[C@@H](C(=O)N(C)C)N1CC[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C(C)(C)C1 ZINC001573593535 947372780 /nfs/dbraw/zinc/37/27/80/947372780.db2.gz KHCSPKLOILQRCW-SMDDNHRTSA-N 0 1 388.476 0.502 20 0 GCADMN C[C@H](C(=O)N(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573594203 947390513 /nfs/dbraw/zinc/39/05/13/947390513.db2.gz OQIWDGHXVGFNPW-PSASIEDQSA-N 0 1 384.366 0.926 20 0 GCADMN C[C@@H](C(=O)N(C)[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001573594749 947405567 /nfs/dbraw/zinc/40/55/67/947405567.db2.gz ROITZIYUWWZVQU-LRDDRELGSA-N 0 1 381.444 0.790 20 0 GCADMN CN1CCC[C@@H](N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)C1=O ZINC000826029539 947409246 /nfs/dbraw/zinc/40/92/46/947409246.db2.gz SVVGNPNUNOZAAD-GFCCVEGCSA-N 0 1 398.427 0.858 20 0 GCADMN CN1CCO[C@@H]2CN([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)C[C@H]21 ZINC000826045530 947419959 /nfs/dbraw/zinc/41/99/59/947419959.db2.gz YEAKTVGBQAWHIZ-GVDBMIGSSA-N 0 1 383.456 0.377 20 0 GCADMN CNC(=O)C1CCN([C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826060163 947421624 /nfs/dbraw/zinc/42/16/24/947421624.db2.gz HYFRVRQDTNKGQH-INIZCTEOSA-N 0 1 383.456 0.820 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)C1CC1 ZINC001573598311 947441627 /nfs/dbraw/zinc/44/16/27/947441627.db2.gz PZVLGUHYOSVVBM-XHDPSFHLSA-N 0 1 376.436 0.961 20 0 GCADMN C[C@@H](C(=O)N(C)CCN(C)c1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCCCC1 ZINC001573601672 947463945 /nfs/dbraw/zinc/46/39/45/947463945.db2.gz AKAHNCOKTKCCMK-AWEZNQCLSA-N 0 1 387.492 0.816 20 0 GCADMN C[C@H](C(=O)N(C)CCN(C)c1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCCCC1 ZINC001573603725 947497889 /nfs/dbraw/zinc/49/78/89/947497889.db2.gz OYLGRLKEGDWEES-CQSZACIVSA-N 0 1 387.492 0.816 20 0 GCADMN C[C@@H](C(=O)N(C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1)n1cncn1 ZINC001573605366 947531532 /nfs/dbraw/zinc/53/15/32/947531532.db2.gz XFDMVBCPXAIUQV-ZETCQYMHSA-N 0 1 382.841 0.700 20 0 GCADMN C[C@H](C(=O)N1CC(=O)Nc2cc(F)c(F)cc21)n1cnc(-c2nn[nH]n2)n1 ZINC001573606960 947536675 /nfs/dbraw/zinc/53/66/75/947536675.db2.gz BGBBRBWMHIGJGO-ZCFIWIBFSA-N 0 1 375.299 0.283 20 0 GCADMN C[C@H](C(=O)N1CC[C@@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001573613753 947569205 /nfs/dbraw/zinc/56/92/05/947569205.db2.gz HXOXRMGSRMUBBS-ACJLOTCBSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@H](C(=O)N1CCC(CNc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573615175 947599750 /nfs/dbraw/zinc/59/97/50/947599750.db2.gz IJNGDRODJZTUSR-CYBMUJFWSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@H](C(=O)N1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C(C)(C)C1)n1cccn1 ZINC001573616537 947623032 /nfs/dbraw/zinc/62/30/32/947623032.db2.gz WZRUJBMJHSESHM-VXGBXAGGSA-N 0 1 382.432 0.185 20 0 GCADMN C[C@@H](C(=O)N1CC[C@](C)(CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001573618260 947647815 /nfs/dbraw/zinc/64/78/15/947647815.db2.gz RHFPSJXZZBVMHX-SCLBCKFNSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@@H](C(=O)N1CC[C@@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)n1cncn1 ZINC001573623990 947691992 /nfs/dbraw/zinc/69/19/92/947691992.db2.gz JGUJIOQPZDGZBE-SMDDNHRTSA-N 0 1 385.407 0.549 20 0 GCADMN C[C@@H](C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573625101 947696317 /nfs/dbraw/zinc/69/63/17/947696317.db2.gz MYDOAFSPGAGYDI-GFCCVEGCSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@H](C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573625103 947697589 /nfs/dbraw/zinc/69/75/89/947697589.db2.gz MYDOAFSPGAGYDI-LBPRGKRZSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@@H](C(=O)N1CCC(O)(Cc2ccccn2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573627191 947719226 /nfs/dbraw/zinc/71/92/26/947719226.db2.gz ZZIZYJKMTVPAJS-LBPRGKRZSA-N 0 1 383.416 0.010 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001573630746 947795202 /nfs/dbraw/zinc/79/52/02/947795202.db2.gz RWINQPHURJENLD-WCQYABFASA-N 0 1 382.432 0.019 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001573373488 947795804 /nfs/dbraw/zinc/79/58/04/947795804.db2.gz JKCATGPLTUSLRZ-UONOGXRCSA-N 0 1 384.444 0.986 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573631770 947803954 /nfs/dbraw/zinc/80/39/54/947803954.db2.gz WSBJEPYQSMSBCN-VXGBXAGGSA-N 0 1 387.473 0.862 20 0 GCADMN C[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573631770 947803958 /nfs/dbraw/zinc/80/39/58/947803958.db2.gz WSBJEPYQSMSBCN-VXGBXAGGSA-N 0 1 387.473 0.862 20 0 GCADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[N@H+](CCO)CC1 ZINC000327895478 971432132 /nfs/dbraw/zinc/43/21/32/971432132.db2.gz GRWFDJZDDJUFOP-UHFFFAOYSA-N 0 1 392.861 0.736 20 0 GCADMN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCC[N@@H+](CCO)CC1 ZINC000327895478 971432137 /nfs/dbraw/zinc/43/21/37/971432137.db2.gz GRWFDJZDDJUFOP-UHFFFAOYSA-N 0 1 392.861 0.736 20 0 GCADMN CC(=O)CCCC(=O)N1CCC[C@@H](C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573374707 947814667 /nfs/dbraw/zinc/81/46/67/947814667.db2.gz PIQMOBDUMCBXRY-OCCSQVGLSA-N 0 1 386.460 0.877 20 0 GCADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1cccn1 ZINC001573637718 947821464 /nfs/dbraw/zinc/82/14/64/947821464.db2.gz OEWISHYKUFUJHG-KGLIPLIRSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@H](C(=O)N1CCN(c2cc(Cl)ccn2)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573638393 947837659 /nfs/dbraw/zinc/83/76/59/947837659.db2.gz MKTLVLGZMXMKKX-JTQLQIEISA-N 0 1 388.823 0.416 20 0 GCADMN CC(=O)CCCC(=O)N1CCO[C@@H]([C@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573377101 947846001 /nfs/dbraw/zinc/84/60/01/947846001.db2.gz IAXOXBMCHPCQGM-XJKSGUPXSA-N 0 1 387.444 0.471 20 0 GCADMN CC(=O)CCCC(=O)NC[C@@]1(O)CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573380552 947861318 /nfs/dbraw/zinc/86/13/18/947861318.db2.gz FOFZYEISMPKJIY-IBGZPJMESA-N 0 1 386.456 0.679 20 0 GCADMN C[C@H](C(=O)N1CCO[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)C(C)(F)F ZINC001573642978 947864004 /nfs/dbraw/zinc/86/40/04/947864004.db2.gz SAFVHTDVYQTIHL-MNOVXSKESA-N 0 1 381.387 0.614 20 0 GCADMN CC(=O)N1CCC(NC(=O)C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)CC1 ZINC001602744014 971438847 /nfs/dbraw/zinc/43/88/47/971438847.db2.gz CZWLFJNSPTXRIA-CABCVRRESA-N 0 1 391.472 0.037 20 0 GCADMN C[C@@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573647219 947887161 /nfs/dbraw/zinc/88/71/61/947887161.db2.gz FAFSGVRNLSUFKL-YRGRVCCFSA-N 0 1 379.428 0.536 20 0 GCADMN C[C@H](C(=O)NC(C)(C)C)N(C)[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573650813 947913948 /nfs/dbraw/zinc/91/39/48/947913948.db2.gz FJLQMIWGBLKKAU-NEPJUHHUSA-N 0 1 388.476 0.644 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)[C@@H](C)CNCc1ccc(-c2nn[nH]n2)cc1F ZINC001573388232 947916862 /nfs/dbraw/zinc/91/68/62/947916862.db2.gz JMXQIDNXCFRHGQ-NSHDSACASA-N 0 1 377.424 0.421 20 0 GCADMN CC(=O)N(C)CC(=O)N(C)CCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573389099 947922398 /nfs/dbraw/zinc/92/23/98/947922398.db2.gz PXCIJLVGBMLOMM-UHFFFAOYSA-N 0 1 391.451 0.764 20 0 GCADMN C[C@@H](C(=O)NC(C)(C)C)N(C)[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573651951 947925725 /nfs/dbraw/zinc/92/57/25/947925725.db2.gz RVKRBQKHMJWCIM-AAEUAGOBSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573652198 947931084 /nfs/dbraw/zinc/93/10/84/947931084.db2.gz WLMHNYJOESQNNT-UBHSHLNASA-N 0 1 377.412 0.645 20 0 GCADMN C[C@@H](C(=O)N[C@@](C)(CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001573652576 947942856 /nfs/dbraw/zinc/94/28/56/947942856.db2.gz DUMZCLBUAZENMA-SGTLLEGYSA-N 0 1 381.444 0.838 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CN3CCC(F)(F)C3)CC2)o1 ZINC000826322945 947945921 /nfs/dbraw/zinc/94/59/21/947945921.db2.gz ILIXTXURKNDVBW-UHFFFAOYSA-N 0 1 382.375 0.153 20 0 GCADMN C[C@H](C(=O)NC(C)(C)C)N1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573652788 947946033 /nfs/dbraw/zinc/94/60/33/947946033.db2.gz HHXMZADMTZXTBX-LLVKDONJSA-N 0 1 388.476 0.692 20 0 GCADMN Cc1nc(CN2CCN(C(=O)Nc3ccc(F)cc3-c3nn[nH]n3)CC2)n[nH]1 ZINC000826325967 947951527 /nfs/dbraw/zinc/95/15/27/947951527.db2.gz SVZDJDZCZBOSRG-UHFFFAOYSA-N 0 1 386.395 0.782 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573394772 947967007 /nfs/dbraw/zinc/96/70/07/947967007.db2.gz VXUMVHXMIULYGK-DGCLKSJQSA-N 0 1 391.501 0.733 20 0 GCADMN CC(=O)N(C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573394772 947967015 /nfs/dbraw/zinc/96/70/15/947967015.db2.gz VXUMVHXMIULYGK-DGCLKSJQSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](C(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)c1cnn(C)c1 ZINC001573654830 947969667 /nfs/dbraw/zinc/96/96/67/947969667.db2.gz TUSYYZGHFPPSPZ-BZNIZROVSA-N 0 1 381.444 0.528 20 0 GCADMN C[C@H](C(=O)NC(C)(C)C)N1CCC(NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573655475 947979597 /nfs/dbraw/zinc/97/95/97/947979597.db2.gz XPVCMZPFJSOBQS-LLVKDONJSA-N 0 1 388.476 0.692 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)CCNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573398343 947980307 /nfs/dbraw/zinc/98/03/07/947980307.db2.gz JYVFZFPSKYXZTK-ZETCQYMHSA-N 0 1 386.869 0.762 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573398585 947984254 /nfs/dbraw/zinc/98/42/54/947984254.db2.gz NMWXJDYRGYCYIN-MNOVXSKESA-N 0 1 379.490 0.779 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573398585 947984257 /nfs/dbraw/zinc/98/42/57/947984257.db2.gz NMWXJDYRGYCYIN-MNOVXSKESA-N 0 1 379.490 0.779 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H](C)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573398909 947985593 /nfs/dbraw/zinc/98/55/93/947985593.db2.gz QNQUVMDABSOVFO-BQBZGAKWSA-N 0 1 386.869 0.760 20 0 GCADMN CC(=O)N(C)CC(=O)NC1(C)CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573398733 947986165 /nfs/dbraw/zinc/98/61/65/947986165.db2.gz OXPKOVHXUHPHAS-UHFFFAOYSA-N 0 1 391.501 0.877 20 0 GCADMN CC(=O)N(C)CC(=O)NC1(C)CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573398733 947986171 /nfs/dbraw/zinc/98/61/71/947986171.db2.gz OXPKOVHXUHPHAS-UHFFFAOYSA-N 0 1 391.501 0.877 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2 ZINC001573399034 947987551 /nfs/dbraw/zinc/98/75/51/947987551.db2.gz RZDGBVUJTPJTPP-LSDHHAIUSA-N 0 1 384.444 0.001 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H](C)[C@H](C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573398912 947988529 /nfs/dbraw/zinc/98/85/29/947988529.db2.gz QNQUVMDABSOVFO-RQJHMYQMSA-N 0 1 386.869 0.760 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H](C)CN(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001573399272 947989993 /nfs/dbraw/zinc/98/99/93/947989993.db2.gz URDKPTMILZGTMJ-SSDOTTSWSA-N 0 1 386.869 0.396 20 0 GCADMN CC(=O)N(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCC1 ZINC001573399619 947994066 /nfs/dbraw/zinc/99/40/66/947994066.db2.gz XTSVYQAYFUEQMJ-UHFFFAOYSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)N(C)CC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCCC1 ZINC001573399619 947994069 /nfs/dbraw/zinc/99/40/69/947994069.db2.gz XTSVYQAYFUEQMJ-UHFFFAOYSA-N 0 1 391.501 0.925 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1CCCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573401463 947997803 /nfs/dbraw/zinc/99/78/03/947997803.db2.gz CKKHPYBMIXRIOD-CQSZACIVSA-N 0 1 386.460 0.524 20 0 GCADMN Cc1onc(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1-c1nnn[n-]1 ZINC000826344207 948002215 /nfs/dbraw/zinc/00/22/15/948002215.db2.gz AMOAMKHTCQLCGI-IACUBPJLSA-N 0 1 375.433 0.416 20 0 GCADMN Cc1onc(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1-c1nn[n-]n1 ZINC000826344207 948002220 /nfs/dbraw/zinc/00/22/20/948002220.db2.gz AMOAMKHTCQLCGI-IACUBPJLSA-N 0 1 375.433 0.416 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1 ZINC001573403086 948009041 /nfs/dbraw/zinc/00/90/41/948009041.db2.gz LHINZIOCBQFBTK-ZDUSSCGKSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1 ZINC001573403086 948009045 /nfs/dbraw/zinc/00/90/45/948009045.db2.gz LHINZIOCBQFBTK-ZDUSSCGKSA-N 0 1 377.474 0.391 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573403041 948009446 /nfs/dbraw/zinc/00/94/46/948009446.db2.gz KTFYIRXRUSNIIM-DZGCQCFKSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1(NCc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573404219 948017047 /nfs/dbraw/zinc/01/70/47/948017047.db2.gz ANUAOVJQZWKBTQ-UHFFFAOYSA-N 0 1 375.408 0.223 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CCN(Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573404249 948020642 /nfs/dbraw/zinc/02/06/42/948020642.db2.gz BGLIXIVYJRPUAD-CYBMUJFWSA-N 0 1 389.435 0.422 20 0 GCADMN C[C@@H](C(=O)NC1CC1)N1CCC2(CN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001573662389 948024298 /nfs/dbraw/zinc/02/42/98/948024298.db2.gz CKBSVWOFRZICMR-NSHDSACASA-N 0 1 384.444 0.010 20 0 GCADMN C[C@H](C(=O)NC1CC1)N1CCC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573662322 948025494 /nfs/dbraw/zinc/02/54/94/948025494.db2.gz BMVFHUBVDNRPGT-NEPJUHHUSA-N 0 1 386.460 0.304 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1 ZINC001573404891 948034096 /nfs/dbraw/zinc/03/40/96/948034096.db2.gz JYHRAHOHNCHNCW-UHFFFAOYSA-N 0 1 391.501 0.735 20 0 GCADMN CC(=O)N(C)CC(=O)NCC1CC[NH+](Cc2ccc(-c3nn[n-]n3)s2)CC1 ZINC001573404891 948034103 /nfs/dbraw/zinc/03/41/03/948034103.db2.gz JYHRAHOHNCHNCW-UHFFFAOYSA-N 0 1 391.501 0.735 20 0 GCADMN C[C@H](C(=O)NC1CC1)N1CCC(N(C)C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573663340 948034551 /nfs/dbraw/zinc/03/45/51/948034551.db2.gz LTEBWGMMWDRSCX-LLVKDONJSA-N 0 1 386.460 0.398 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)CC1(C)C ZINC001573405134 948036879 /nfs/dbraw/zinc/03/68/79/948036879.db2.gz YSWWDXMKOKSTJA-OAHLLOKOSA-N 0 1 386.460 0.461 20 0 GCADMN C[C@H](C(=O)NC1CC1)N1CCC(C)(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573663529 948039432 /nfs/dbraw/zinc/03/94/32/948039432.db2.gz NTFGARZEFGCFRN-LLVKDONJSA-N 0 1 386.460 0.446 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573663817 948040795 /nfs/dbraw/zinc/04/07/95/948040795.db2.gz AJVZUKJQGVLOQM-HIFRSBDPSA-N 0 1 381.444 0.800 20 0 GCADMN Cc1onc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1-c1nnn[n-]1 ZINC000826346576 948042168 /nfs/dbraw/zinc/04/21/68/948042168.db2.gz PQCCRSIADVZCSS-CABCVRRESA-N 0 1 389.460 0.590 20 0 GCADMN Cc1onc(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1-c1nn[n-]n1 ZINC000826346576 948042177 /nfs/dbraw/zinc/04/21/77/948042177.db2.gz PQCCRSIADVZCSS-CABCVRRESA-N 0 1 389.460 0.590 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC001573405744 948047718 /nfs/dbraw/zinc/04/77/18/948047718.db2.gz VPJALLRFGUSAGP-HNNXBMFYSA-N 0 1 385.472 0.673 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001573406820 948057888 /nfs/dbraw/zinc/05/78/88/948057888.db2.gz VUHUWCSDABPIQG-MFKMUULPSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C ZINC001573406820 948057895 /nfs/dbraw/zinc/05/78/95/948057895.db2.gz VUHUWCSDABPIQG-MFKMUULPSA-N 0 1 377.474 0.486 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@@H]1[C@H]2CN(Cc3cc(F)ccc3-c3nn[nH]n3)C[C@H]21 ZINC001573408704 948069010 /nfs/dbraw/zinc/06/90/10/948069010.db2.gz LUTUQARUGJNCNT-QLPKVWCKSA-N 0 1 387.419 0.031 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573665843 948077969 /nfs/dbraw/zinc/07/79/69/948077969.db2.gz NQASOJXFGSQXAZ-QWHCGFSZSA-N 0 1 382.432 0.590 20 0 GCADMN CC(=O)N1CC(C(=O)N(C)[C@H]2CCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)C1 ZINC001573414698 948096667 /nfs/dbraw/zinc/09/66/67/948096667.db2.gz NYHZLKUVBNKKBS-AWEZNQCLSA-N 0 1 384.444 0.086 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCCC1 ZINC001573674512 948117398 /nfs/dbraw/zinc/11/73/98/948117398.db2.gz NQKPLQZDTMZPQN-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(c2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573674512 948117402 /nfs/dbraw/zinc/11/74/02/948117402.db2.gz NQKPLQZDTMZPQN-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001573418911 948119435 /nfs/dbraw/zinc/11/94/35/948119435.db2.gz HXLAQJWXRZUESI-LBPRGKRZSA-N 0 1 375.458 0.097 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)C1 ZINC001573420229 948134367 /nfs/dbraw/zinc/13/43/67/948134367.db2.gz ZMYCNRZGEDZMDK-CQSZACIVSA-N 0 1 384.444 0.133 20 0 GCADMN 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C[C@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573740850 948643648 /nfs/dbraw/zinc/64/36/48/948643648.db2.gz PLHIPBSOBMLFSK-WQHBLYJGSA-N 0 1 390.354 0.944 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573740848 948643824 /nfs/dbraw/zinc/64/38/24/948643824.db2.gz PLHIPBSOBMLFSK-CKLFPEKLSA-N 0 1 390.354 0.944 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)NC(=O)[C@H](C)S(C)(=O)=O ZINC001573741212 948652590 /nfs/dbraw/zinc/65/25/90/948652590.db2.gz ZILPTKOFPHDPQM-ZJUUUORDSA-N 0 1 384.437 0.033 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)C(F)(F)F ZINC001573741336 948654112 /nfs/dbraw/zinc/65/41/12/948654112.db2.gz XERAYBHMDUTEAT-WQAKAFBOSA-N 0 1 384.362 0.726 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573745918 948675620 /nfs/dbraw/zinc/67/56/20/948675620.db2.gz GVEAOANDSNJGHK-OPRDCNLKSA-N 0 1 377.409 0.191 20 0 GCADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001573746465 948682392 /nfs/dbraw/zinc/68/23/92/948682392.db2.gz MAWJBRCBOINJGH-MGPQQGTHSA-N 0 1 381.444 0.981 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCCC1 ZINC001573746889 948688286 /nfs/dbraw/zinc/68/82/86/948688286.db2.gz MODAIBGBZFKECM-MELADBBJSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573746889 948688291 /nfs/dbraw/zinc/68/82/91/948688291.db2.gz MODAIBGBZFKECM-MELADBBJSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573747368 948689186 /nfs/dbraw/zinc/68/91/86/948689186.db2.gz NZOQYQRZIPYMKK-BBBLOLIVSA-N 0 1 384.487 0.098 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573747368 948689192 /nfs/dbraw/zinc/68/91/92/948689192.db2.gz NZOQYQRZIPYMKK-BBBLOLIVSA-N 0 1 384.487 0.098 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573748466 948696899 /nfs/dbraw/zinc/69/68/99/948696899.db2.gz UJWXIGYPSFIPKZ-GMTAPVOTSA-N 0 1 391.436 0.439 20 0 GCADMN C[C@H](C(=O)Nc1ccccc1S(=O)(=O)C1CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573754739 948746212 /nfs/dbraw/zinc/74/62/12/948746212.db2.gz JOFGOMVNRGHIRM-SECBINFHSA-N 0 1 388.413 0.594 20 0 GCADMN C[C@@H](C(N)=O)N1CCC2(C[C@H](C)N(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573754992 948754549 /nfs/dbraw/zinc/75/45/49/948754549.db2.gz MHQLBAPRZZDQAA-RYUDHWBXSA-N 0 1 386.460 0.385 20 0 GCADMN C[C@H](C(N)=O)N1CCC2(C[C@H](C)N(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)CC1 ZINC001573755522 948771342 /nfs/dbraw/zinc/77/13/42/948771342.db2.gz RFJWVKHBBVJQKH-NWDGAFQWSA-N 0 1 386.460 0.385 20 0 GCADMN C[C@H](C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573755829 948787557 /nfs/dbraw/zinc/78/75/57/948787557.db2.gz JCVJBTJFEHRAQI-ZWNOBZJWSA-N 0 1 381.400 0.999 20 0 GCADMN C[C@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574679578 948789064 /nfs/dbraw/zinc/78/90/64/948789064.db2.gz YGPBYJNFLZOJGR-CYBMUJFWSA-N 0 1 385.476 0.839 20 0 GCADMN C[C@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001574679578 948789081 /nfs/dbraw/zinc/78/90/81/948789081.db2.gz YGPBYJNFLZOJGR-CYBMUJFWSA-N 0 1 385.476 0.839 20 0 GCADMN CC(F)(F)CC(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575225180 948802341 /nfs/dbraw/zinc/80/23/41/948802341.db2.gz XNOODYYDXYADEC-SNVBAGLBSA-N 0 1 382.375 0.153 20 0 GCADMN CC(C)c1ccoc1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001574420860 948804470 /nfs/dbraw/zinc/80/44/70/948804470.db2.gz CDZHMULHOBZENG-UHFFFAOYSA-N 0 1 385.428 0.947 20 0 GCADMN CC(F)(F)CC(=O)N1CCC(O)(CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001575227090 948826174 /nfs/dbraw/zinc/82/61/74/948826174.db2.gz RPZRZWASPHGEIK-UHFFFAOYSA-N 0 1 381.387 0.494 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573761144 948838083 /nfs/dbraw/zinc/83/80/83/948838083.db2.gz DWEUARCTGBIPFE-CYBMUJFWSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@H](CNC(=O)CCCn1cncn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574919169 948867730 /nfs/dbraw/zinc/86/77/30/948867730.db2.gz VOXPNKCQJCMGLY-GFCCVEGCSA-N 0 1 387.423 0.672 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573763449 948870953 /nfs/dbraw/zinc/87/09/53/948870953.db2.gz FNHPWZOCWPSQMA-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CCC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573763449 948870967 /nfs/dbraw/zinc/87/09/67/948870967.db2.gz FNHPWZOCWPSQMA-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)c1nc(CN2CCC[C@@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001574425527 948876194 /nfs/dbraw/zinc/87/61/94/948876194.db2.gz HYVIYRHEDJNPOQ-GFCCVEGCSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCC1 ZINC001573763934 948877190 /nfs/dbraw/zinc/87/71/90/948877190.db2.gz IUYWMNGJPRPIIY-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1COCCO1 ZINC001574684655 948877581 /nfs/dbraw/zinc/87/75/81/948877581.db2.gz KCEQLGQVKCXNSQ-YUMQZZPRSA-N 0 1 387.853 0.699 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1COCCO1 ZINC001574684654 948877985 /nfs/dbraw/zinc/87/79/85/948877985.db2.gz KCEQLGQVKCXNSQ-SFYZADRCSA-N 0 1 387.853 0.699 20 0 GCADMN CC(C)c1nnc(CNC2CC(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)[nH]1 ZINC001574425739 948879719 /nfs/dbraw/zinc/87/97/19/948879719.db2.gz MLOFCXWFMJRUKA-UHFFFAOYSA-N 0 1 384.448 0.735 20 0 GCADMN CC(C)c1nc(CN2CC[C@@](C)(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001574426007 948883611 /nfs/dbraw/zinc/88/36/11/948883611.db2.gz PHZPEIYUFLBHJZ-QGZVFWFLSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573764346 948886262 /nfs/dbraw/zinc/88/62/62/948886262.db2.gz NOSGKQVDAGACGF-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)c1nc(CN2CCC[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001574426404 948888820 /nfs/dbraw/zinc/88/88/20/948888820.db2.gz RLRJZWRACSBVBJ-LLVKDONJSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1nnc(CN[C@@H](CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C(C)C)[nH]1 ZINC001574426991 948897840 /nfs/dbraw/zinc/89/78/40/948897840.db2.gz XKVDEWVFHIXPKE-ZDUSSCGKSA-N 0 1 386.464 0.981 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)Cn1cncn1 ZINC001574685212 948903697 /nfs/dbraw/zinc/90/36/97/948903697.db2.gz SVDFYHATKVZJJQ-SSDOTTSWSA-N 0 1 382.841 0.575 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCC1 ZINC001573765362 948904530 /nfs/dbraw/zinc/90/45/30/948904530.db2.gz ZSWATZVKRASZNN-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CCCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573765448 948908981 /nfs/dbraw/zinc/90/89/81/948908981.db2.gz GHZGKTGWCKBHMU-ZDUSSCGKSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H](CNC(=O)CCc1cncn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574920871 948911461 /nfs/dbraw/zinc/91/14/61/948911461.db2.gz PXKGQHJFVWJKHZ-GFCCVEGCSA-N 0 1 386.435 0.966 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574921114 948914832 /nfs/dbraw/zinc/91/48/32/948914832.db2.gz SMVGHQARDUKHAN-GFCCVEGCSA-N 0 1 386.435 0.966 20 0 GCADMN CC(C)(C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)F ZINC001573765651 948920037 /nfs/dbraw/zinc/92/00/37/948920037.db2.gz VLHIMTHUTKDCJK-VIFPVBQESA-N 0 1 382.375 0.009 20 0 GCADMN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nnn[n-]2)n1)[NH+]1CCCC1 ZINC001573765783 948923596 /nfs/dbraw/zinc/92/35/96/948923596.db2.gz GLWAZRGQYHXUNM-STQMWFEESA-N 0 1 383.460 0.321 20 0 GCADMN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cncc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001573765783 948923605 /nfs/dbraw/zinc/92/36/05/948923605.db2.gz GLWAZRGQYHXUNM-STQMWFEESA-N 0 1 383.460 0.321 20 0 GCADMN CC(C)c1ncncc1C(=O)NC[C@@H](C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574431727 948924080 /nfs/dbraw/zinc/92/40/80/948924080.db2.gz ADJVSZQKLFITKY-LLVKDONJSA-N 0 1 382.432 0.825 20 0 GCADMN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573766071 948934040 /nfs/dbraw/zinc/93/40/40/948934040.db2.gz XVFNPDBUQOPDJO-KBPBESRZSA-N 0 1 391.439 0.819 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCC1 ZINC001573771704 948946332 /nfs/dbraw/zinc/94/63/32/948946332.db2.gz LEXNTQDOTLDEPO-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574924083 948962457 /nfs/dbraw/zinc/96/24/57/948962457.db2.gz VLBUYVLMUCAOQD-LLVKDONJSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](CNC(=O)CN(C)C(=O)C1CC1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574924083 948962468 /nfs/dbraw/zinc/96/24/68/948962468.db2.gz VLBUYVLMUCAOQD-LLVKDONJSA-N 0 1 391.501 0.733 20 0 GCADMN CC(C)(C(=O)N[C@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)C(F)(F)F ZINC001573772589 948964786 /nfs/dbraw/zinc/96/47/86/948964786.db2.gz VRIVCSSUIPQJGU-SECBINFHSA-N 0 1 384.366 0.974 20 0 GCADMN CC(C)(C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)C(F)F ZINC001573773369 948982162 /nfs/dbraw/zinc/98/21/62/948982162.db2.gz LUEVRAYQGVMBGT-DTWKUNHWSA-N 0 1 382.375 0.004 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCC1=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926044 948985516 /nfs/dbraw/zinc/98/55/16/948985516.db2.gz GZGUDLLRLCIVLP-GFCCVEGCSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCC1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926044 948985529 /nfs/dbraw/zinc/98/55/29/948985529.db2.gz GZGUDLLRLCIVLP-GFCCVEGCSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1ccnc(-c2nnn[n-]2)n1 ZINC001574926187 948990960 /nfs/dbraw/zinc/99/09/60/948990960.db2.gz KENZBBJYKBZQTI-LBPRGKRZSA-N 0 1 375.481 0.221 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574926187 948990968 /nfs/dbraw/zinc/99/09/68/948990968.db2.gz KENZBBJYKBZQTI-LBPRGKRZSA-N 0 1 375.481 0.221 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1ccnc(-c2nn[n-]n2)n1 ZINC001574926187 948990979 /nfs/dbraw/zinc/99/09/79/948990979.db2.gz KENZBBJYKBZQTI-LBPRGKRZSA-N 0 1 375.481 0.221 20 0 GCADMN C[C@@H](CNC(=O)CN(C)c1ccccc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574926305 948992921 /nfs/dbraw/zinc/99/29/21/948992921.db2.gz NEXXJRKSAAPAPO-ZDUSSCGKSA-N 0 1 381.444 0.734 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)c1c[nH]cn1 ZINC001573773707 948993720 /nfs/dbraw/zinc/99/37/20/948993720.db2.gz FBTSISCTXNACAI-UHFFFAOYSA-N 0 1 382.432 0.230 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574926291 948995135 /nfs/dbraw/zinc/99/51/35/948995135.db2.gz MSHDBZUDZGTRJD-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1nccnc1-c1nnn[n-]1 ZINC001574926291 948995150 /nfs/dbraw/zinc/99/51/50/948995150.db2.gz MSHDBZUDZGTRJD-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574926291 948995159 /nfs/dbraw/zinc/99/51/59/948995159.db2.gz MSHDBZUDZGTRJD-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)CNc1nccnc1-c1nn[n-]n1 ZINC001574926291 948995174 /nfs/dbraw/zinc/99/51/74/948995174.db2.gz MSHDBZUDZGTRJD-LBPRGKRZSA-N 0 1 375.481 0.799 20 0 GCADMN CC(C)c1noc(CCC(=O)NCCN(C)c2ccncc2-c2nn[nH]n2)n1 ZINC001574439200 949002928 /nfs/dbraw/zinc/00/29/28/949002928.db2.gz CDWKCUFDSVAGAB-UHFFFAOYSA-N 0 1 385.432 0.953 20 0 GCADMN CC(C)(C(=O)NC1CCN(c2ccnc(-c3nn[n-]n3)n2)CC1)[NH+]1CCCC1 ZINC001573774474 949007444 /nfs/dbraw/zinc/00/74/44/949007444.db2.gz SFILNLYFBRSLTN-UHFFFAOYSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001575501423 949014506 /nfs/dbraw/zinc/01/45/06/949014506.db2.gz HTDFBPSYJMPIMI-GFCCVEGCSA-N 0 1 380.412 0.607 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCC1=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926682 949015400 /nfs/dbraw/zinc/01/54/00/949015400.db2.gz UZQYKLQZKRYQAO-NSHDSACASA-N 0 1 377.474 0.487 20 0 GCADMN 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CC(C)(C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573783141 949141808 /nfs/dbraw/zinc/14/18/08/949141808.db2.gz SWGCZKNZJWCBQX-KYZUINATSA-N 0 1 384.366 0.974 20 0 GCADMN CC(C)c1ocnc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447154 949153025 /nfs/dbraw/zinc/15/30/25/949153025.db2.gz IQCPCPLTFWGUPT-XYPYZODXSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)c1ocnc1C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574447503 949160456 /nfs/dbraw/zinc/16/04/56/949160456.db2.gz QIKUISCUSMQQTI-UHFFFAOYSA-N 0 1 383.416 0.907 20 0 GCADMN C[C@@H](CNC(=O)COc1cccc(Cl)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574934754 949174424 /nfs/dbraw/zinc/17/44/24/949174424.db2.gz PXMRNWPSMFBHJC-JTQLQIEISA-N 0 1 388.819 0.728 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573787288 949174717 /nfs/dbraw/zinc/17/47/17/949174717.db2.gz RXRYQAZUUFHEOS-JOCQHMNTSA-N 0 1 385.476 0.838 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 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FRRXNNBAANTUNY-SNVBAGLBSA-N 0 1 383.416 0.706 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H](C)CN1CCOCC1)Nc1ccc(-c2nn[nH]n2)nc1 ZINC001574698799 949208371 /nfs/dbraw/zinc/20/83/71/949208371.db2.gz OUOMYFSPRMICSX-KBPBESRZSA-N 0 1 388.476 0.489 20 0 GCADMN CC(C)CC(=O)N1C[C@H](C)O[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574102895 949212330 /nfs/dbraw/zinc/21/23/30/949212330.db2.gz FSUCTUXCPAVGGK-UGSOOPFHSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574698902 949214169 /nfs/dbraw/zinc/21/41/69/949214169.db2.gz PXIWNWPSMNDVDI-VXGBXAGGSA-N 0 1 388.476 0.493 20 0 GCADMN CC[C@@]1(C(=O)[O-])CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1 ZINC001589604732 949232068 /nfs/dbraw/zinc/23/20/68/949232068.db2.gz FSEAQNPYGVUOMQ-QGZVFWFLSA-N 0 1 391.534 0.740 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H](C)CC(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574699200 949233105 /nfs/dbraw/zinc/23/31/05/949233105.db2.gz UASIQWYBVPVLQI-QWRGUYRKSA-N 0 1 377.424 0.454 20 0 GCADMN 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C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1nccnc1-c1nnn[n-]1 ZINC001574703881 949359092 /nfs/dbraw/zinc/35/90/92/949359092.db2.gz HADSAHHNMXZNOQ-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1nccnc1-c1nn[n-]n1 ZINC001574703881 949359112 /nfs/dbraw/zinc/35/91/12/949359112.db2.gz HADSAHHNMXZNOQ-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574703982 949360543 /nfs/dbraw/zinc/36/05/43/949360543.db2.gz IRZRJXXFFQSRST-ZDUSSCGKSA-N 0 1 385.476 0.213 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001573799038 949365721 /nfs/dbraw/zinc/36/57/21/949365721.db2.gz IZTHFMUVOXGPPC-UHFFFAOYSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)NCCn1cnc(-c2nn[nH]n2)n1 ZINC001575864868 949367341 /nfs/dbraw/zinc/36/73/41/949367341.db2.gz IWJCATAMSRLJJD-SNVBAGLBSA-N 0 1 382.388 0.011 20 0 GCADMN C[C@H]1CCC[C@H](OCC(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576154960 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IHXQCFUQRDZTBD-UHFFFAOYSA-N 0 1 386.460 0.297 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705565 949430150 /nfs/dbraw/zinc/43/01/50/949430150.db2.gz IOPYQSUGJHIGBK-UONOGXRCSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705565 949430163 /nfs/dbraw/zinc/43/01/63/949430163.db2.gz IOPYQSUGJHIGBK-UONOGXRCSA-N 0 1 387.492 0.600 20 0 GCADMN CC1=CC[C@](C)(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CC1 ZINC001575867453 949437635 /nfs/dbraw/zinc/43/76/35/949437635.db2.gz YPGZMUHSXNTVNE-VBHSOAQHSA-N 0 1 384.444 0.459 20 0 GCADMN CC1=CC[C@@](C)(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)CC1 ZINC001575867452 949438288 /nfs/dbraw/zinc/43/82/88/949438288.db2.gz YPGZMUHSXNTVNE-FHSNZYRGSA-N 0 1 384.444 0.459 20 0 GCADMN C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574947796 949451269 /nfs/dbraw/zinc/45/12/69/949451269.db2.gz DIEQMSGMWUHNAB-VIFPVBQESA-N 0 1 392.374 0.432 20 0 GCADMN C[C@H](NC(=O)[C@@H]1CCCCN1C)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575266006 949460529 /nfs/dbraw/zinc/46/05/29/949460529.db2.gz WOUILSYTXBFTQO-NHYWBVRUSA-N 0 1 386.460 0.256 20 0 GCADMN C[C@H](CNC(=O)Cn1ccnc1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574948394 949460708 /nfs/dbraw/zinc/46/07/08/949460708.db2.gz IMZWTAKTLJJKLH-MRVPVSSYSA-N 0 1 381.853 0.814 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1 ZINC001574468493 949464425 /nfs/dbraw/zinc/46/44/25/949464425.db2.gz MFAGYODLMQGTDK-VXGBXAGGSA-N 0 1 382.432 0.689 20 0 GCADMN CC(C)n1nccc1C(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470115 949489202 /nfs/dbraw/zinc/48/92/02/949489202.db2.gz MKROYTZTGQEARS-KRWDZBQOSA-N 0 1 382.432 0.833 20 0 GCADMN CC(C)n1nccc1C(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574470041 949489951 /nfs/dbraw/zinc/48/99/51/949489951.db2.gz LCKKBFCEELQEOS-UHFFFAOYSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574708542 949493912 /nfs/dbraw/zinc/49/39/12/949493912.db2.gz WJYBJIYTPOIBQK-AAEUAGOBSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCC(=O)N1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574708542 949493921 /nfs/dbraw/zinc/49/39/21/949493921.db2.gz WJYBJIYTPOIBQK-AAEUAGOBSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574708543 949494855 /nfs/dbraw/zinc/49/48/55/949494855.db2.gz WJYBJIYTPOIBQK-DGCLKSJQSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCCC(=O)N1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574708543 949494866 /nfs/dbraw/zinc/49/48/66/949494866.db2.gz WJYBJIYTPOIBQK-DGCLKSJQSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCc2ccccc21 ZINC001575537783 949501560 /nfs/dbraw/zinc/50/15/60/949501560.db2.gz XTBJEUFUTSBBMW-JLTOFOAXSA-N 0 1 390.451 0.996 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574949721 949510801 /nfs/dbraw/zinc/51/08/01/949510801.db2.gz BIUXUWWMORCUJB-PWSUYJOCSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574949721 949510820 /nfs/dbraw/zinc/51/08/20/949510820.db2.gz BIUXUWWMORCUJB-PWSUYJOCSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)CCOC1 ZINC001575538212 949516434 /nfs/dbraw/zinc/51/64/34/949516434.db2.gz FBSBWAZKDHNUED-MSOLQXFVSA-N 0 1 384.444 0.512 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574711165 949525902 /nfs/dbraw/zinc/52/59/02/949525902.db2.gz DWYBECGZBMZXPG-RYUDHWBXSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574711165 949525922 /nfs/dbraw/zinc/52/59/22/949525922.db2.gz DWYBECGZBMZXPG-RYUDHWBXSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cocn1 ZINC001576160060 949526592 /nfs/dbraw/zinc/52/65/92/949526592.db2.gz ZHJQCVBBUSZZGP-DIFFPNOSSA-N 0 1 383.416 0.857 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574471274 949530605 /nfs/dbraw/zinc/53/06/05/949530605.db2.gz LCYDJSWLYCNKRC-WDEREUQCSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574471274 949530615 /nfs/dbraw/zinc/53/06/15/949530615.db2.gz LCYDJSWLYCNKRC-WDEREUQCSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCC(=O)N1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574950211 949531951 /nfs/dbraw/zinc/53/19/51/949531951.db2.gz MQMJGNXHQWLHRF-YGRLFVJLSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC001574472155 949543778 /nfs/dbraw/zinc/54/37/78/949543778.db2.gz QRFPILBUWNNILR-QWHCGFSZSA-N 0 1 383.460 0.870 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574472395 949552294 /nfs/dbraw/zinc/55/22/94/949552294.db2.gz UJJMZJMUCBGIMY-VHSXEESVSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H](C)NC(N)=O ZINC001574472395 949552310 /nfs/dbraw/zinc/55/23/10/949552310.db2.gz UJJMZJMUCBGIMY-VHSXEESVSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCOC1 ZINC001575539735 949557361 /nfs/dbraw/zinc/55/73/61/949557361.db2.gz SHSLUIBRRQHLMP-UGSOOPFHSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711843 949559722 /nfs/dbraw/zinc/55/97/22/949559722.db2.gz NCGRSPQQVNODBB-WCQYABFASA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)CC2CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872942 949563541 /nfs/dbraw/zinc/56/35/41/949563541.db2.gz MHNMDMLWCDVZFZ-OCCSQVGLSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@@H](CC(=O)N(C)CC(C)(C)CNc1ccncc1-c1nn[nH]n1)NC(N)=O ZINC001574475567 949571009 /nfs/dbraw/zinc/57/10/09/949571009.db2.gz BGTHIGAGHGHFPE-NSHDSACASA-N 0 1 389.464 0.027 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)CCCC1CCOCC1 ZINC001575270177 949577428 /nfs/dbraw/zinc/57/74/28/949577428.db2.gz BQCWABSGRIVGOZ-OLZOCXBDSA-N 0 1 388.476 0.981 20 0 GCADMN CC(C)C[C@H](C(=O)NCCCNc1ccnc(-c2nn[nH]n2)n1)n1ccnc1 ZINC001574125467 949586128 /nfs/dbraw/zinc/58/61/28/949586128.db2.gz PUGIVZKFHBDJCA-CYBMUJFWSA-N 0 1 384.448 0.481 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574956760 949587072 /nfs/dbraw/zinc/58/70/72/949587072.db2.gz NFHRGYNPGYKXMF-NHYWBVRUSA-N 0 1 384.444 0.001 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCn2ccnc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574712740 949589617 /nfs/dbraw/zinc/58/96/17/949589617.db2.gz UCHAMLSPQGQKSV-QWHCGFSZSA-N 0 1 381.444 0.402 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712940 949592519 /nfs/dbraw/zinc/59/25/19/949592519.db2.gz VJGWHOACFCFUQL-WCQYABFASA-N 0 1 379.428 0.147 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574956976 949593982 /nfs/dbraw/zinc/59/39/82/949593982.db2.gz 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C[C@@H](CC(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001574476436 949602309 /nfs/dbraw/zinc/60/23/09/949602309.db2.gz CKUZMJQBHGHGLZ-ZDUSSCGKSA-N 0 1 385.428 0.703 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874235 949604267 /nfs/dbraw/zinc/60/42/67/949604267.db2.gz SKJALCLEHNHDDB-CHWSQXEVSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](NC(=O)CCNC(N)=O)[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575270931 949605990 /nfs/dbraw/zinc/60/59/90/949605990.db2.gz HOEHDPBDKTZZRE-NWDGAFQWSA-N 0 1 387.448 0.041 20 0 GCADMN C[C@H](NC(=O)CCNC(N)=O)C1CN(Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575271072 949610287 /nfs/dbraw/zinc/61/02/87/949610287.db2.gz HWJLOZQZUBXOEI-JTQLQIEISA-N 0 1 390.423 0.001 20 0 GCADMN C[C@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576167578 949613227 /nfs/dbraw/zinc/61/32/27/949613227.db2.gz QXEDOQQRRWRXLG-SWLSCSKDSA-N 0 1 385.428 0.611 20 0 GCADMN C[C@@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575271277 949614725 /nfs/dbraw/zinc/61/47/25/949614725.db2.gz JGLLTOFVSRICLM-OLZOCXBDSA-N 0 1 386.460 0.638 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574476684 949617313 /nfs/dbraw/zinc/61/73/13/949617313.db2.gz JEUKNRFQKPIPHP-NXEZZACHSA-N 0 1 387.366 0.503 20 0 GCADMN CC(C)CC(C)(C)C(=O)N1CCO[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574127793 949619834 /nfs/dbraw/zinc/61/98/34/949619834.db2.gz KGKHYLUFHFOUCD-ZDUSSCGKSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576168033 949627191 /nfs/dbraw/zinc/62/71/91/949627191.db2.gz BGXWJYAGMQMUQD-BXUZGUMPSA-N 0 1 382.432 0.662 20 0 GCADMN CC1(C(=O)N2CCN([C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C3)CC2)CC1 ZINC001575547575 949630259 /nfs/dbraw/zinc/63/02/59/949630259.db2.gz AQSDYCVSLNCRSX-ZDUSSCGKSA-N 0 1 383.460 0.180 20 0 GCADMN C[C@H](CN(C)C(=O)CC[C@@H]1CC(C)(C)CO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715104 949641617 /nfs/dbraw/zinc/64/16/17/949641617.db2.gz BAKPPAAFRLTBJG-CHWSQXEVSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CN(C)C(=O)CC[C@H]1CC(C)(C)CO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715105 949643252 /nfs/dbraw/zinc/64/32/52/949643252.db2.gz BAKPPAAFRLTBJG-OLZOCXBDSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876152 949642994 /nfs/dbraw/zinc/64/29/94/949642994.db2.gz WZOCBUUTFMMSCD-STQMWFEESA-N 0 1 383.460 0.226 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876152 949643004 /nfs/dbraw/zinc/64/30/04/949643004.db2.gz WZOCBUUTFMMSCD-STQMWFEESA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575876806 949652389 /nfs/dbraw/zinc/65/23/89/949652389.db2.gz KMIXNNNLTSXVIA-ZWNOBZJWSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2cnc(-c3nnn[n-]3)cn2)C1 ZINC001575273045 949659248 /nfs/dbraw/zinc/65/92/48/949659248.db2.gz UYIVQWMDQPWELK-ZIAGYGMSSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575273045 949659260 /nfs/dbraw/zinc/65/92/60/949659260.db2.gz UYIVQWMDQPWELK-ZIAGYGMSSA-N 0 1 387.492 0.720 20 0 GCADMN CC1(C(=O)N2CCOC3(CCN(c4ccnc(-c5nn[nH]n5)n4)CC3)C2)CC1 ZINC001575548184 949661483 /nfs/dbraw/zinc/66/14/83/949661483.db2.gz TUMQYVXLHDWYHX-UHFFFAOYSA-N 0 1 384.444 0.655 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(F)CCOC1 ZINC001573815967 949665148 /nfs/dbraw/zinc/66/51/48/949665148.db2.gz MZEBGYCAACQGSA-MGPLVRAMSA-N 0 1 378.412 0.150 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574958421 949670574 /nfs/dbraw/zinc/67/05/74/949670574.db2.gz JIOWPTSJYPOTHH-IJLUTSLNSA-N 0 1 382.432 0.135 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574958518 949675245 /nfs/dbraw/zinc/67/52/45/949675245.db2.gz KOZSYHUNJXGEMA-YUSALJHKSA-N 0 1 383.416 0.298 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574716150 949683328 /nfs/dbraw/zinc/68/33/28/949683328.db2.gz NEYKAPJHDUGEDD-RYUDHWBXSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574716150 949683344 /nfs/dbraw/zinc/68/33/44/949683344.db2.gz NEYKAPJHDUGEDD-RYUDHWBXSA-N 0 1 391.501 0.924 20 0 GCADMN CC1(C(=O)N2C[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]3C2)CCOCC1 ZINC001575554314 949692729 /nfs/dbraw/zinc/69/27/29/949692729.db2.gz RJKKOQHNDORDJC-OKILXGFUSA-N 0 1 383.456 0.973 20 0 GCADMN C[C@@H](NC(=O)CCc1ccc(=O)[nH]c1)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575275846 949700640 /nfs/dbraw/zinc/70/06/40/949700640.db2.gz FAUXJNZURSHCGB-VXGBXAGGSA-N 0 1 382.428 0.722 20 0 GCADMN C[C@H]1[C@H](NC(=O)Cc2cccnc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880624 949701995 /nfs/dbraw/zinc/70/19/95/949701995.db2.gz VAAUMNYAACKHHJ-GXTWGEPZSA-N 0 1 379.428 0.768 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CCN(Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)CCNC1=O ZINC001575557159 949707100 /nfs/dbraw/zinc/70/71/00/949707100.db2.gz BWBISWFTMUXRRQ-JXXFODFXSA-N 0 1 395.467 0.426 20 0 GCADMN C[C@H](NC(=O)CCc1nc[nH]n1)[C@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575276146 949709451 /nfs/dbraw/zinc/70/94/51/949709451.db2.gz HAAZCGPDWOYLGN-IUCAKERBSA-N 0 1 390.839 0.971 20 0 GCADMN C[C@@H](NC(=O)CCc1nc[nH]n1)[C@@H](C)Nc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575276147 949710951 /nfs/dbraw/zinc/71/09/51/949710951.db2.gz HAAZCGPDWOYLGN-RKDXNWHRSA-N 0 1 390.839 0.971 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2nc[nH]n2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575881257 949713919 /nfs/dbraw/zinc/71/39/19/949713919.db2.gz WVTGEHHNMPTCJZ-DGCLKSJQSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@]1(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CCCC2)CCOC1 ZINC001575557378 949723960 /nfs/dbraw/zinc/72/39/60/949723960.db2.gz INBZSCHQPLUXNI-ACJLOTCBSA-N 0 1 386.460 0.592 20 0 GCADMN 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C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1ccncc1 ZINC001574480445 949751645 /nfs/dbraw/zinc/75/16/45/949751645.db2.gz ILYRGNXNANQZRU-OCCSQVGLSA-N 0 1 379.428 0.680 20 0 GCADMN C[C@@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277560 949755054 /nfs/dbraw/zinc/75/50/54/949755054.db2.gz QWXMEKNSBWZHBP-WDEREUQCSA-N 0 1 389.851 0.929 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171799 949779841 /nfs/dbraw/zinc/77/98/41/949779841.db2.gz SLINXXXZEACZLB-TZMCWYRMSA-N 0 1 382.428 0.953 20 0 GCADMN C[C@]1(C(=O)NC2CC3(C2)CC(Nc2ccncc2-c2nn[nH]n2)C3)CCOC1 ZINC001575560323 949783915 /nfs/dbraw/zinc/78/39/15/949783915.db2.gz OETDKOLBYOOOJT-GCFXKKPUSA-N 0 1 383.456 0.950 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574964647 949788020 /nfs/dbraw/zinc/78/80/20/949788020.db2.gz ZEPGSGRGSCGEIZ-NKWVEPMBSA-N 0 1 384.853 0.514 20 0 GCADMN C[C@@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575280891 949792966 /nfs/dbraw/zinc/79/29/66/949792966.db2.gz BGQBAMGOEDQLKW-QWHCGFSZSA-N 0 1 382.428 0.601 20 0 GCADMN C[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H]1CCNCc1cnon1 ZINC001576172134 949796361 /nfs/dbraw/zinc/79/63/61/949796361.db2.gz VOELMSHNQSKWPV-NHYWBVRUSA-N 0 1 385.432 0.998 20 0 GCADMN C[C@H]1[C@@H](NC(=O)Cc2cncs2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882886 949797027 /nfs/dbraw/zinc/79/70/27/949797027.db2.gz ORYXXQCOHCFBIY-JQWIXIFHSA-N 0 1 385.457 0.829 20 0 GCADMN C[C@@H](CN(C)C(=O)CCCc1cccnc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720637 949799804 /nfs/dbraw/zinc/79/98/04/949799804.db2.gz FBSYGMYRSKIBOO-ZDUSSCGKSA-N 0 1 381.444 0.755 20 0 GCADMN C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574720872 949807342 /nfs/dbraw/zinc/80/73/42/949807342.db2.gz ISMXCSFOXABOLI-AWEZNQCLSA-N 0 1 387.492 0.604 20 0 GCADMN CC1(C(=O)N[C@@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575561892 949817856 /nfs/dbraw/zinc/81/78/56/949817856.db2.gz DKJJBAJNRNLNFE-CHWSQXEVSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575883805 949827969 /nfs/dbraw/zinc/82/79/69/949827969.db2.gz SNPUNOOVNCPNFU-GXFFZTMASA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CNC(=O)c1c(Cl)cnn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574966280 949838145 /nfs/dbraw/zinc/83/81/45/949838145.db2.gz WFHBPXLGMGVADU-VIFPVBQESA-N 0 1 375.824 0.903 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575282454 949839097 /nfs/dbraw/zinc/83/90/97/949839097.db2.gz BPSVVSXELOIBDV-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001575282454 949839116 /nfs/dbraw/zinc/83/91/16/949839116.db2.gz BPSVVSXELOIBDV-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575282454 949839133 /nfs/dbraw/zinc/83/91/33/949839133.db2.gz BPSVVSXELOIBDV-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575282454 949839147 /nfs/dbraw/zinc/83/91/47/949839147.db2.gz BPSVVSXELOIBDV-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H](CN(C)C(=O)CCNC(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574722544 949841651 /nfs/dbraw/zinc/84/16/51/949841651.db2.gz UQOGEJQDASGARV-SNVBAGLBSA-N 0 1 378.412 0.001 20 0 GCADMN C[C@@H](NC(=O)CN(C)CCCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC1 ZINC001575282955 949847362 /nfs/dbraw/zinc/84/73/62/949847362.db2.gz CVQROGXNRDUNAA-GFCCVEGCSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@H](NC(=O)CN1CC[C@@H](CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1)C1CC1 ZINC001575282971 949847921 /nfs/dbraw/zinc/84/79/21/949847921.db2.gz CZBGECIWTNRPBX-RYUDHWBXSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@@H](CNC(=O)c1c(F)cc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574966488 949849694 /nfs/dbraw/zinc/84/96/94/949849694.db2.gz ZLTNTBZRWMVAIC-ZETCQYMHSA-N 0 1 378.318 0.726 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574484128 949856947 /nfs/dbraw/zinc/85/69/47/949856947.db2.gz VYWPZUSQYQTWNB-YPMHNXCESA-N 0 1 382.432 0.019 20 0 GCADMN C[C@H](NC(=O)CN1CCOCC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283324 949867663 /nfs/dbraw/zinc/86/76/63/949867663.db2.gz FJSKWWASERVVEX-AWEZNQCLSA-N 0 1 385.472 0.135 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177999 949868722 /nfs/dbraw/zinc/86/87/22/949868722.db2.gz AITMVEFHYBWSNW-DGCLKSJQSA-N 0 1 380.416 0.221 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccon2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178015 949876062 /nfs/dbraw/zinc/87/60/62/949876062.db2.gz AMJYELFXAQJVCZ-YPMHNXCESA-N 0 1 383.416 0.810 20 0 GCADMN C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001575283652 949880422 /nfs/dbraw/zinc/88/04/22/949880422.db2.gz GPQYYSHYOARBRZ-KBPBESRZSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H](NC(=O)CCn1cncn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283728 949885343 /nfs/dbraw/zinc/88/53/43/949885343.db2.gz HEEDPPRIPVCKCY-CYBMUJFWSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178443 949886506 /nfs/dbraw/zinc/88/65/06/949886506.db2.gz BJYZFRPYGGXNNG-WCQYABFASA-N 0 1 380.416 0.221 20 0 GCADMN CC(C)C[C@H](CNC(=O)[C@H]1CCCN1C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574143339 949887598 /nfs/dbraw/zinc/88/75/98/949887598.db2.gz GOBLLECIUNCLGW-IUODEOHRSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](CN(C)C(=O)CCn1ccnn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574725057 949888224 /nfs/dbraw/zinc/88/82/24/949888224.db2.gz OLFFXROLZHVEKI-GFCCVEGCSA-N 0 1 387.423 0.624 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574968138 949888219 /nfs/dbraw/zinc/88/82/19/949888219.db2.gz MBZLKSYNWRFBGA-MVWJERBFSA-N 0 1 383.416 0.204 20 0 GCADMN C[C@@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574725074 949888487 /nfs/dbraw/zinc/88/84/87/949888487.db2.gz OWLZYUOQHCZMSP-NSHDSACASA-N 0 1 377.474 0.487 20 0 GCADMN C[C@@H](CN(C)C(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574725074 949888508 /nfs/dbraw/zinc/88/85/08/949888508.db2.gz OWLZYUOQHCZMSP-NSHDSACASA-N 0 1 377.474 0.487 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccncn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178440 949889760 /nfs/dbraw/zinc/88/97/60/949889760.db2.gz BJYZFRPYGGXNNG-DGCLKSJQSA-N 0 1 380.416 0.221 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnco2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178554 949891280 /nfs/dbraw/zinc/89/12/80/949891280.db2.gz CDWKKNWCNJFALV-VXGBXAGGSA-N 0 1 383.416 0.810 20 0 GCADMN C[C@@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575284007 949891976 /nfs/dbraw/zinc/89/19/76/949891976.db2.gz SLFDSXTUWDIGPO-WDEREUQCSA-N 0 1 386.391 0.602 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1)n1cccn1 ZINC001574484635 949894134 /nfs/dbraw/zinc/89/41/34/949894134.db2.gz LCKOODAZCJTNAX-UONOGXRCSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@H](NC(=O)CO[C@H]1CCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575284337 949900955 /nfs/dbraw/zinc/90/09/55/949900955.db2.gz UHYMDOQLISPEMY-GUYCJALGSA-N 0 1 386.456 0.609 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179038 949906211 /nfs/dbraw/zinc/90/62/11/949906211.db2.gz DLIYXBNASRCKMM-LRDDRELGSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574485221 949919432 /nfs/dbraw/zinc/91/94/32/949919432.db2.gz VIGRYFNYMNJSDE-KGLIPLIRSA-N 0 1 381.444 0.934 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H](C)NC(=O)COc1ccc(F)cc1 ZINC001575285133 949936029 /nfs/dbraw/zinc/93/60/29/949936029.db2.gz ZBTHFHZJXXCVCO-MNOVXSKESA-N 0 1 386.391 0.602 20 0 GCADMN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574726561 949939723 /nfs/dbraw/zinc/93/97/23/949939723.db2.gz KBVDVYBEXNSTGR-RYUDHWBXSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@@H](CN(C)C(=O)CO[C@H]1CCOC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574726561 949939736 /nfs/dbraw/zinc/93/97/36/949939736.db2.gz KBVDVYBEXNSTGR-RYUDHWBXSA-N 0 1 380.474 0.670 20 0 GCADMN C[C@]1(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCNC(=O)C1 ZINC001575570563 949940770 /nfs/dbraw/zinc/94/07/70/949940770.db2.gz RXZMYUZNEYVNST-KXBFYZLASA-N 0 1 383.456 0.474 20 0 GCADMN C[C@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574488086 949942825 /nfs/dbraw/zinc/94/28/25/949942825.db2.gz DHOLOMMTRILTKA-JHJVBQTASA-N 0 1 382.432 0.185 20 0 GCADMN C[C@@H](NC(=O)CN1CCCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575285469 949946963 /nfs/dbraw/zinc/94/69/63/949946963.db2.gz NOYWBRHUEXUIOA-CHWSQXEVSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H](NC(=O)CN1CCOCC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285475 949947105 /nfs/dbraw/zinc/94/71/05/949947105.db2.gz NPULGYZIUPBLEX-GFCCVEGCSA-N 0 1 391.501 0.197 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575285545 949947692 /nfs/dbraw/zinc/94/76/92/949947692.db2.gz OJBFHDFBYRRXQW-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001575285545 949947713 /nfs/dbraw/zinc/94/77/13/949947713.db2.gz OJBFHDFBYRRXQW-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC1(C(=O)NC2CCN(CCNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)CC1 ZINC001575571147 949950664 /nfs/dbraw/zinc/95/06/64/949950664.db2.gz XMQWWXAWPQSZHR-UHFFFAOYSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180461 949955129 /nfs/dbraw/zinc/95/51/29/949955129.db2.gz IFWQIPZDYOZMQX-BLLLJJGKSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)NC(N)=O ZINC001574488890 949955078 /nfs/dbraw/zinc/95/50/78/949955078.db2.gz HBOAHOGSFNALOC-GWCFXTLKSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](CN(C)C(=O)COC[C@H]1CCCO1)Nc1ccncc1-c1nn[nH]n1 ZINC001574727262 949959824 /nfs/dbraw/zinc/95/98/24/949959824.db2.gz QVYHAHGPYQSQNP-CHWSQXEVSA-N 0 1 375.433 0.138 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccn(C)n2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180812 949968658 /nfs/dbraw/zinc/96/86/58/949968658.db2.gz JFLRHKYMXIGHEV-WBMJQRKESA-N 0 1 381.444 0.770 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](C)CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(N)=O ZINC001574490311 949987416 /nfs/dbraw/zinc/98/74/16/949987416.db2.gz PPYUILSOXICFBT-QWRGUYRKSA-N 0 1 392.439 0.389 20 0 GCADMN C[C@H](CN(C)C(=O)Cc1ccc(F)c(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574728494 949992434 /nfs/dbraw/zinc/99/24/34/949992434.db2.gz BKEQVQPQTNGXGJ-SNVBAGLBSA-N 0 1 388.382 0.858 20 0 GCADMN C[C@@H](CN(C)C(=O)Cc1cnn(C)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574728602 949994540 /nfs/dbraw/zinc/99/45/40/949994540.db2.gz FALFOMQFDFDQIJ-LBPRGKRZSA-N 0 1 386.435 0.919 20 0 GCADMN C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001576181306 949995240 /nfs/dbraw/zinc/99/52/40/949995240.db2.gz SYAYAJRHTJVBFM-LLVKDONJSA-N 0 1 376.469 0.230 20 0 GCADMN C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC001576181306 949995269 /nfs/dbraw/zinc/99/52/69/949995269.db2.gz SYAYAJRHTJVBFM-LLVKDONJSA-N 0 1 376.469 0.230 20 0 GCADMN C[C@@H]1CCC[N@@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001576181306 949995294 /nfs/dbraw/zinc/99/52/94/949995294.db2.gz SYAYAJRHTJVBFM-LLVKDONJSA-N 0 1 376.469 0.230 20 0 GCADMN C[C@@H]1CCC[N@H+]1CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC001576181306 949995317 /nfs/dbraw/zinc/99/53/17/949995317.db2.gz SYAYAJRHTJVBFM-LLVKDONJSA-N 0 1 376.469 0.230 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cscn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181344 949999624 /nfs/dbraw/zinc/99/96/24/949999624.db2.gz TXFFEEOOJIOCDF-ZYHUDNBSSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cscn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181341 950000347 /nfs/dbraw/zinc/00/03/47/950000347.db2.gz TXFFEEOOJIOCDF-PWSUYJOCSA-N 0 1 385.457 0.888 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574150273 950024599 /nfs/dbraw/zinc/02/45/99/950024599.db2.gz AWWKVURTKMXUHU-CMPLNLGQSA-N 0 1 392.489 0.230 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CNC(=O)N1 ZINC001574150273 950024621 /nfs/dbraw/zinc/02/46/21/950024621.db2.gz AWWKVURTKMXUHU-CMPLNLGQSA-N 0 1 392.489 0.230 20 0 GCADMN CC1(C(=O)NC[C@H](CO)NCc2ccc(-c3nn[nH]n3)c(F)c2)CCOCC1 ZINC001575574665 950028452 /nfs/dbraw/zinc/02/84/52/950028452.db2.gz XMEVMZOMQSZHQE-CYBMUJFWSA-N 0 1 392.435 0.389 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)NC(N)=O ZINC001574491320 950029331 /nfs/dbraw/zinc/02/93/31/950029331.db2.gz CAQQLIRYRUOCAM-SWLSCSKDSA-N 0 1 386.460 0.394 20 0 GCADMN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CC(F)(F)C1 ZINC001575574879 950034190 /nfs/dbraw/zinc/03/41/90/950034190.db2.gz AWYORTRRMZNJKE-VIFPVBQESA-N 0 1 386.428 0.930 20 0 GCADMN CC1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)CC(F)(F)C1 ZINC001575574879 950034211 /nfs/dbraw/zinc/03/42/11/950034211.db2.gz AWYORTRRMZNJKE-VIFPVBQESA-N 0 1 386.428 0.930 20 0 GCADMN C[C@@H](CN(C)C(=O)Cn1cc(Cl)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574730687 950036913 /nfs/dbraw/zinc/03/69/13/950036913.db2.gz BBQDKOXBWIOXSW-JTQLQIEISA-N 0 1 375.824 0.493 20 0 GCADMN C[C@H](CN(C)C(=O)Cc1cccc(F)c1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574730935 950040893 /nfs/dbraw/zinc/04/08/93/950040893.db2.gz SZMURFCWCHXQMY-SNVBAGLBSA-N 0 1 388.382 0.858 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCCN1CCN1CCCC1=O ZINC001575891985 950041752 /nfs/dbraw/zinc/04/17/52/950041752.db2.gz QBZCUDNUVGKOQY-CHWSQXEVSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1cc(C2CC2)cn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574731265 950047803 /nfs/dbraw/zinc/04/78/03/950047803.db2.gz CJHIANKRESKNDU-GFCCVEGCSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001574491833 950053615 /nfs/dbraw/zinc/05/36/15/950053615.db2.gz GRSTUZFXLAYSKH-GFCCVEGCSA-N 0 1 382.432 0.590 20 0 GCADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+](C[C@@H](O)COc1ccc3c(c1)CCC(=O)N3)C2 ZINC001595287804 950054205 /nfs/dbraw/zinc/05/42/05/950054205.db2.gz PWISITSHDGIFGI-KSMMKXTCSA-N 0 1 376.409 0.344 20 0 GCADMN O=C([O-])[C@@]12COC[C@@H]1C[N@H+](C[C@H](O)COc1ccc3c(c1)CCC(=O)N3)C2 ZINC001595287805 950055468 /nfs/dbraw/zinc/05/54/68/950055468.db2.gz PWISITSHDGIFGI-NJSLBKSFSA-N 0 1 376.409 0.344 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cncn2C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182592 950058263 /nfs/dbraw/zinc/05/82/63/950058263.db2.gz ORSNZGKOCAEHEG-NWDGAFQWSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnon2)[C@@H]1CCNc1ccncc1-c1nn[nH]n1 ZINC001576182731 950058640 /nfs/dbraw/zinc/05/86/40/950058640.db2.gz PDMZRFPORQUNNK-XHDPSFHLSA-N 0 1 383.416 0.810 20 0 GCADMN CC1(C(=O)NC[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)CCOCC1 ZINC001575575806 950062480 /nfs/dbraw/zinc/06/24/80/950062480.db2.gz LXYWNECBUHGTMN-AWEZNQCLSA-N 0 1 392.435 0.389 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1cnc(-c2nnn[n-]2)cn1 ZINC001576182525 950063006 /nfs/dbraw/zinc/06/30/06/950063006.db2.gz MTRDCQQEOFOMPG-UONOGXRCSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182525 950063027 /nfs/dbraw/zinc/06/30/27/950063027.db2.gz MTRDCQQEOFOMPG-UONOGXRCSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574732792 950076327 /nfs/dbraw/zinc/07/63/27/950076327.db2.gz KRWNVIFMWQCBHB-JQWIXIFHSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C(N)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574732792 950076357 /nfs/dbraw/zinc/07/63/57/950076357.db2.gz KRWNVIFMWQCBHB-JQWIXIFHSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@@H](CC(=O)NC1CC[NH+](Cc2ccc(-c3nnn[n-]3)s2)CC1)NC(N)=O ZINC001574492342 950077637 /nfs/dbraw/zinc/07/76/37/950077637.db2.gz MFGAHHXTXREQQN-JTQLQIEISA-N 0 1 392.489 0.456 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574151524 950087012 /nfs/dbraw/zinc/08/70/12/950087012.db2.gz UKQXBTPHEKWUJP-WCQYABFASA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574151524 950087033 /nfs/dbraw/zinc/08/70/33/950087033.db2.gz UKQXBTPHEKWUJP-WCQYABFASA-N 0 1 391.501 0.827 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183454 950088900 /nfs/dbraw/zinc/08/89/00/950088900.db2.gz SCCWPWCRZKYZAE-ZWNOBZJWSA-N 0 1 385.407 0.899 20 0 GCADMN C[C@@H](CC(=O)N[C@@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574492664 950097027 /nfs/dbraw/zinc/09/70/27/950097027.db2.gz OGXZCOPIXFJUIQ-SJCJKPOMSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574492682 950097483 /nfs/dbraw/zinc/09/74/83/950097483.db2.gz OMNYSJDCLQQPLL-PNESKVBLSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@]1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575582065 950099962 /nfs/dbraw/zinc/09/99/62/950099962.db2.gz DDMYXRNVGVPDPE-DLBZAZTESA-N 0 1 392.485 0.408 20 0 GCADMN C[C@]1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575582065 950099983 /nfs/dbraw/zinc/09/99/83/950099983.db2.gz DDMYXRNVGVPDPE-DLBZAZTESA-N 0 1 392.485 0.408 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccncc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574733431 950110615 /nfs/dbraw/zinc/11/06/15/950110615.db2.gz AVPMDNKTSRWTEA-FPMFFAJLSA-N 0 1 379.428 0.536 20 0 GCADMN C[C@@]1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCCCC2)CCOC1 ZINC001575582303 950111455 /nfs/dbraw/zinc/11/14/55/950111455.db2.gz ILOZGSIXFINOGI-QGZVFWFLSA-N 0 1 386.460 0.736 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cncnc2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184053 950113566 /nfs/dbraw/zinc/11/35/66/950113566.db2.gz VMHBCCQNIVEMBC-MLGOLLRUSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cncnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184054 950113720 /nfs/dbraw/zinc/11/37/20/950113720.db2.gz VMHBCCQNIVEMBC-WBMJQRKESA-N 0 1 379.428 0.826 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576184298 950125458 /nfs/dbraw/zinc/12/54/58/950125458.db2.gz UVSHWLDVUQBSBL-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576184298 950125470 /nfs/dbraw/zinc/12/54/70/950125470.db2.gz UVSHWLDVUQBSBL-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576184298 950125484 /nfs/dbraw/zinc/12/54/84/950125484.db2.gz UVSHWLDVUQBSBL-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576184298 950125493 /nfs/dbraw/zinc/12/54/93/950125493.db2.gz UVSHWLDVUQBSBL-KBPBESRZSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576184299 950125597 /nfs/dbraw/zinc/12/55/97/950125597.db2.gz UVSHWLDVUQBSBL-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576184299 950125610 /nfs/dbraw/zinc/12/56/10/950125610.db2.gz UVSHWLDVUQBSBL-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576184299 950125620 /nfs/dbraw/zinc/12/56/20/950125620.db2.gz UVSHWLDVUQBSBL-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576184299 950125626 /nfs/dbraw/zinc/12/56/26/950125626.db2.gz UVSHWLDVUQBSBL-KGLIPLIRSA-N 0 1 387.492 0.893 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)c1cnccc1N(C)C ZINC001574978037 950128688 /nfs/dbraw/zinc/12/86/88/950128688.db2.gz PNQZVUQXEGECLZ-SNVBAGLBSA-N 0 1 383.416 0.204 20 0 GCADMN NC(=O)COc1ccc(CNC(=O)C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1 ZINC000262455293 950129270 /nfs/dbraw/zinc/12/92/70/950129270.db2.gz FFCBXGFGSAAYLZ-OIISXLGYSA-N 0 1 389.452 0.885 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[nH]n2)cn1)NC(=O)CCc1nc[nH]n1 ZINC001574153172 950131006 /nfs/dbraw/zinc/13/10/06/950131006.db2.gz ORNZHZANRFVEJP-CYBMUJFWSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184579 950132184 /nfs/dbraw/zinc/13/21/84/950132184.db2.gz WPXJDGSNBCSLRJ-JSGCOSHPSA-N 0 1 379.428 0.826 20 0 GCADMN CC(C)(C)CC(C)(C)C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001573839795 950133905 /nfs/dbraw/zinc/13/39/05/950133905.db2.gz XBLDQJPCNVWGHP-UHFFFAOYSA-N 0 1 390.492 0.774 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574734471 950138593 /nfs/dbraw/zinc/13/85/93/950138593.db2.gz NOSPCKSJMBTPLT-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574734471 950138604 /nfs/dbraw/zinc/13/86/04/950138604.db2.gz NOSPCKSJMBTPLT-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN CC1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575583254 950143707 /nfs/dbraw/zinc/14/37/07/950143707.db2.gz KUIVREOYGHZQHR-CYBMUJFWSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574494116 950150084 /nfs/dbraw/zinc/15/00/84/950150084.db2.gz WVWCEYZWQHHEEQ-VHSXEESVSA-N 0 1 378.462 0.066 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2ccncc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575898405 950152139 /nfs/dbraw/zinc/15/21/39/950152139.db2.gz SCSNUGZMVJSVGP-GXFFZTMASA-N 0 1 383.391 0.978 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576185107 950155174 /nfs/dbraw/zinc/15/51/74/950155174.db2.gz ZXQWRJSNMXQEPY-KGLIPLIRSA-N 0 1 387.492 0.315 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576185107 950155181 /nfs/dbraw/zinc/15/51/81/950155181.db2.gz ZXQWRJSNMXQEPY-KGLIPLIRSA-N 0 1 387.492 0.315 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576185107 950155192 /nfs/dbraw/zinc/15/51/92/950155192.db2.gz ZXQWRJSNMXQEPY-KGLIPLIRSA-N 0 1 387.492 0.315 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190526 950162153 /nfs/dbraw/zinc/16/21/53/950162153.db2.gz AFGJJLHGNDHEHZ-NWDGAFQWSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]nc1C(C)(C)C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574982379 950162571 /nfs/dbraw/zinc/16/25/71/950162571.db2.gz BNHGJUKMGJBHLS-JTQLQIEISA-N 0 1 384.448 0.577 20 0 GCADMN C[C@@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCc1csnn1 ZINC001576190427 950164194 /nfs/dbraw/zinc/16/41/94/950164194.db2.gz BGXKNDROCDBINL-ZYHUDNBSSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001574494436 950165937 /nfs/dbraw/zinc/16/59/37/950165937.db2.gz YQDJONIGZBKGJU-TZMCWYRMSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001574982521 950171979 /nfs/dbraw/zinc/17/19/79/950171979.db2.gz DXJZNROPIJHREH-GHMZBOCLSA-N 0 1 385.432 0.279 20 0 GCADMN CC1(C(=O)NCC2(Nc3ccnc(-c4nn[nH]n4)n3)CCOCC2)CCCC1 ZINC001575584619 950173239 /nfs/dbraw/zinc/17/32/39/950173239.db2.gz YVDPJPSGOGKKKP-UHFFFAOYSA-N 0 1 386.460 0.736 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C1(C)CCOCC1 ZINC001574154677 950174640 /nfs/dbraw/zinc/17/46/40/950174640.db2.gz FYXNZERLXOXJSD-ZDUSSCGKSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H]1CCN(C(=O)Cn2cccn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576190952 950176485 /nfs/dbraw/zinc/17/64/85/950176485.db2.gz DXLPNVLTLWFJGK-KGLIPLIRSA-N 0 1 381.444 0.477 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574155185 950187888 /nfs/dbraw/zinc/18/78/88/950187888.db2.gz JOEWRSMDLNOKAJ-ZIAGYGMSSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574155185 950187896 /nfs/dbraw/zinc/18/78/96/950187896.db2.gz JOEWRSMDLNOKAJ-ZIAGYGMSSA-N 0 1 387.492 0.363 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574155185 950187908 /nfs/dbraw/zinc/18/79/08/950187908.db2.gz JOEWRSMDLNOKAJ-ZIAGYGMSSA-N 0 1 387.492 0.363 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cscn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191151 950188156 /nfs/dbraw/zinc/18/81/56/950188156.db2.gz DSQQFNMJAZNJHM-GHMZBOCLSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191571 950199479 /nfs/dbraw/zinc/19/94/79/950199479.db2.gz IMRDUMMORSHWPP-GHMZBOCLSA-N 0 1 385.407 0.756 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001576191675 950203649 /nfs/dbraw/zinc/20/36/49/950203649.db2.gz HRXOYOQSQVBHCG-CYBMUJFWSA-N 0 1 387.463 0.990 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CN(Cc3ccc(-c4nn[n-]n4)c(F)c3)C2)C1 ZINC001576191675 950203659 /nfs/dbraw/zinc/20/36/59/950203659.db2.gz HRXOYOQSQVBHCG-CYBMUJFWSA-N 0 1 387.463 0.990 20 0 GCADMN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCc1cnn(C)n1 ZINC001576191793 950208095 /nfs/dbraw/zinc/20/80/95/950208095.db2.gz KHWVNJVLFJLHTF-WCQYABFASA-N 0 1 384.448 0.211 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@]1(C)CCCOC1 ZINC001574156095 950221588 /nfs/dbraw/zinc/22/15/88/950221588.db2.gz WPBMKPKHBVDCJU-UGSOOPFHSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1CNCc1ncccn1 ZINC001576192093 950221851 /nfs/dbraw/zinc/22/18/51/950221851.db2.gz LQSVQXQQAHXNCI-OLZOCXBDSA-N 0 1 381.444 0.873 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@H]1CNCc1csnn1 ZINC001576192051 950222148 /nfs/dbraw/zinc/22/21/48/950222148.db2.gz LHBPYYPDGLGUPI-WDEREUQCSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574740240 950222613 /nfs/dbraw/zinc/22/26/13/950222613.db2.gz CNGYARXWQKACRF-BIMULSAOSA-N 0 1 375.408 0.064 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575901212 950223559 /nfs/dbraw/zinc/22/35/59/950223559.db2.gz MLMYCFHTTKSFEN-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C[C@@H]1CNCc1ncccn1 ZINC001576192095 950225287 /nfs/dbraw/zinc/22/52/87/950225287.db2.gz LQSVQXQQAHXNCI-STQMWFEESA-N 0 1 381.444 0.873 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC1CCOCC1 ZINC001574156212 950233827 /nfs/dbraw/zinc/23/38/27/950233827.db2.gz ZCLDJBKMKFVGQY-AWEZNQCLSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)[C@@H]1CCCO1 ZINC001574497726 950236977 /nfs/dbraw/zinc/23/69/77/950236977.db2.gz BSYFYXRAUZRWGJ-STQMWFEESA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1)[C@H]1CCCO1 ZINC001574497725 950238786 /nfs/dbraw/zinc/23/87/86/950238786.db2.gz BSYFYXRAUZRWGJ-QWHCGFSZSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192371 950240879 /nfs/dbraw/zinc/24/08/79/950240879.db2.gz MCNMOKYHOYCGSS-MNOVXSKESA-N 0 1 385.407 0.756 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576192367 950242605 /nfs/dbraw/zinc/24/26/05/950242605.db2.gz MCCKEKRTPRVSOK-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2nccnc2-c2nnn[n-]2)C2CC2)C1 ZINC001576192367 950242625 /nfs/dbraw/zinc/24/26/25/950242625.db2.gz MCCKEKRTPRVSOK-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576192367 950242645 /nfs/dbraw/zinc/24/26/45/950242645.db2.gz MCCKEKRTPRVSOK-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2nccnc2-c2nn[n-]n2)C2CC2)C1 ZINC001576192367 950242662 /nfs/dbraw/zinc/24/26/62/950242662.db2.gz MCCKEKRTPRVSOK-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1COCCO1 ZINC001574157736 950249969 /nfs/dbraw/zinc/24/99/69/950249969.db2.gz HNXSQVBRGCJACF-WFASDCNBSA-N 0 1 375.433 0.042 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574984093 950254936 /nfs/dbraw/zinc/25/49/36/950254936.db2.gz WLJWAUHHVVRNBN-LLVKDONJSA-N 0 1 391.395 0.964 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2ncn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575902271 950257037 /nfs/dbraw/zinc/25/70/37/950257037.db2.gz UEVFUGDDXJPRFO-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cncn1C ZINC001574157866 950257353 /nfs/dbraw/zinc/25/73/53/950257353.db2.gz KIXBLUUYYQLOSI-ZDUSSCGKSA-N 0 1 383.460 0.603 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001575902449 950257614 /nfs/dbraw/zinc/25/76/14/950257614.db2.gz UZURGGRZVDROAH-BXUZGUMPSA-N 0 1 382.432 0.173 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574984144 950259769 /nfs/dbraw/zinc/25/97/69/950259769.db2.gz VXQQANCGSADQAD-SNVBAGLBSA-N 0 1 386.391 0.339 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574157836 950260764 /nfs/dbraw/zinc/26/07/64/950260764.db2.gz JOTPMWVANROVKT-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574157836 950260776 /nfs/dbraw/zinc/26/07/76/950260776.db2.gz JOTPMWVANROVKT-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001574157836 950260791 /nfs/dbraw/zinc/26/07/91/950260791.db2.gz JOTPMWVANROVKT-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574157836 950260814 /nfs/dbraw/zinc/26/08/14/950260814.db2.gz JOTPMWVANROVKT-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001574157940 950265155 /nfs/dbraw/zinc/26/51/55/950265155.db2.gz LKIRIMUYTUIIQW-LBPRGKRZSA-N 0 1 383.416 0.436 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc(Cl)no1 ZINC001574157964 950265275 /nfs/dbraw/zinc/26/52/75/950265275.db2.gz LXNVRUNJACIYSZ-VIFPVBQESA-N 0 1 391.823 0.977 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001576192842 950271072 /nfs/dbraw/zinc/27/10/72/950271072.db2.gz PXUHERILAOCJJQ-IUODEOHRSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001576192842 950271094 /nfs/dbraw/zinc/27/10/94/950271094.db2.gz PXUHERILAOCJJQ-IUODEOHRSA-N 0 1 385.476 0.647 20 0 GCADMN CC1(C(=O)NCC[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575592067 950275466 /nfs/dbraw/zinc/27/54/66/950275466.db2.gz BIIGEUCMASHGHT-ZDUSSCGKSA-N 0 1 386.460 0.806 20 0 GCADMN CC1(C(=O)NCC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575592066 950275583 /nfs/dbraw/zinc/27/55/83/950275583.db2.gz BIIGEUCMASHGHT-CYBMUJFWSA-N 0 1 386.460 0.806 20 0 GCADMN C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1)NC(N)=O ZINC001574498637 950278641 /nfs/dbraw/zinc/27/86/41/950278641.db2.gz OVUJRVMHEMVDMK-JTQLQIEISA-N 0 1 392.489 0.504 20 0 GCADMN C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)NC(N)=O ZINC001574498637 950278661 /nfs/dbraw/zinc/27/86/61/950278661.db2.gz OVUJRVMHEMVDMK-JTQLQIEISA-N 0 1 392.489 0.504 20 0 GCADMN C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCC1)NC(N)=O ZINC001574498638 950279354 /nfs/dbraw/zinc/27/93/54/950279354.db2.gz OVUJRVMHEMVDMK-SNVBAGLBSA-N 0 1 392.489 0.504 20 0 GCADMN C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCC1)NC(N)=O ZINC001574498638 950279370 /nfs/dbraw/zinc/27/93/70/950279370.db2.gz OVUJRVMHEMVDMK-SNVBAGLBSA-N 0 1 392.489 0.504 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1ccnn1 ZINC001575904677 950280558 /nfs/dbraw/zinc/28/05/58/950280558.db2.gz AFWFRGQQNSQNPV-DGCLKSJQSA-N 0 1 387.473 0.689 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1ccnn1 ZINC001575904677 950280580 /nfs/dbraw/zinc/28/05/80/950280580.db2.gz AFWFRGQQNSQNPV-DGCLKSJQSA-N 0 1 387.473 0.689 20 0 GCADMN C[C@]1(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCC(=O)NC1 ZINC001575592364 950286709 /nfs/dbraw/zinc/28/67/09/950286709.db2.gz AFCHZJHEDAGMFA-IBGZPJMESA-N 0 1 383.456 0.331 20 0 GCADMN C[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576193226 950288188 /nfs/dbraw/zinc/28/81/88/950288188.db2.gz SSJAPIWYYLTZTG-QWRGUYRKSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001576193226 950288209 /nfs/dbraw/zinc/28/82/09/950288209.db2.gz SSJAPIWYYLTZTG-QWRGUYRKSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@@H](CC(=O)NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574498871 950289693 /nfs/dbraw/zinc/28/96/93/950289693.db2.gz QPKHHWNINHVDON-HSBZDZAISA-N 0 1 381.444 0.838 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574498845 950290226 /nfs/dbraw/zinc/29/02/26/950290226.db2.gz QFMMGGKAQWSDDU-RYUDHWBXSA-N 0 1 376.465 0.430 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575906051 950303148 /nfs/dbraw/zinc/30/31/48/950303148.db2.gz GKBQICSFDUSZBQ-MFKMUULPSA-N 0 1 389.485 0.533 20 0 GCADMN C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CNC(=O)C1CC1 ZINC001575906051 950303164 /nfs/dbraw/zinc/30/31/64/950303164.db2.gz GKBQICSFDUSZBQ-MFKMUULPSA-N 0 1 389.485 0.533 20 0 GCADMN CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C(C)(C)C1 ZINC001573853482 950322951 /nfs/dbraw/zinc/32/29/51/950322951.db2.gz QERFFFPQTXPXQM-JTQLQIEISA-N 0 1 391.436 0.220 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574988246 950324898 /nfs/dbraw/zinc/32/48/98/950324898.db2.gz PGYNBPKHSKHFAQ-YUSALJHKSA-N 0 1 383.416 0.298 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576194229 950330626 /nfs/dbraw/zinc/33/06/26/950330626.db2.gz XXHXMRGIEZWENF-SWLSCSKDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576194229 950330648 /nfs/dbraw/zinc/33/06/48/950330648.db2.gz XXHXMRGIEZWENF-SWLSCSKDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1nccnc1N ZINC001575907620 950337449 /nfs/dbraw/zinc/33/74/49/950337449.db2.gz PUDCZHXGYFAVSC-GXSJLCMTSA-N 0 1 385.457 0.693 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1nccnc1N ZINC001575907620 950337470 /nfs/dbraw/zinc/33/74/70/950337470.db2.gz PUDCZHXGYFAVSC-GXSJLCMTSA-N 0 1 385.457 0.693 20 0 GCADMN C[C@H]1[C@@H](NCc2cc3n(n2)CCC3)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575907617 950339493 /nfs/dbraw/zinc/33/94/93/950339493.db2.gz PQQXDIDVVPBELC-FZMZJTMJSA-N 0 1 381.444 0.730 20 0 GCADMN CC(C)(C)NC(=O)CN1C[C@@H]2CN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C[C@@H]2C1 ZINC001573854751 950348432 /nfs/dbraw/zinc/34/84/32/950348432.db2.gz FLENTUOYMNKGBH-BETUJISGSA-N 0 1 386.460 0.113 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001574501877 950349585 /nfs/dbraw/zinc/34/95/85/950349585.db2.gz HCMKELXJSKSPSL-CHWSQXEVSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576196198 950352832 /nfs/dbraw/zinc/35/28/32/950352832.db2.gz AFRMPAKWOBUVSY-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576196198 950352853 /nfs/dbraw/zinc/35/28/53/950352853.db2.gz AFRMPAKWOBUVSY-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196250 950353190 /nfs/dbraw/zinc/35/31/90/950353190.db2.gz BSHKFPOYKQBOLU-ZIAGYGMSSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196250 950353206 /nfs/dbraw/zinc/35/32/06/950353206.db2.gz BSHKFPOYKQBOLU-ZIAGYGMSSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196250 950353228 /nfs/dbraw/zinc/35/32/28/950353228.db2.gz BSHKFPOYKQBOLU-ZIAGYGMSSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1C[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196284 950358640 /nfs/dbraw/zinc/35/86/40/950358640.db2.gz CGAOPXTUJSGEFB-ZIAGYGMSSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576196895 950370380 /nfs/dbraw/zinc/37/03/80/950370380.db2.gz IHHPGJBFVOKWJS-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576196895 950370399 /nfs/dbraw/zinc/37/03/99/950370399.db2.gz IHHPGJBFVOKWJS-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576196895 950370417 /nfs/dbraw/zinc/37/04/17/950370417.db2.gz IHHPGJBFVOKWJS-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576196895 950370435 /nfs/dbraw/zinc/37/04/35/950370435.db2.gz IHHPGJBFVOKWJS-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574745195 950377094 /nfs/dbraw/zinc/37/70/94/950377094.db2.gz GWTJEIQXSBLALO-MRVPVSSYSA-N 0 1 392.374 0.322 20 0 GCADMN C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196975 950379163 /nfs/dbraw/zinc/37/91/63/950379163.db2.gz KTVSAFCJDVQATC-UONOGXRCSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196975 950379185 /nfs/dbraw/zinc/37/91/85/950379185.db2.gz KTVSAFCJDVQATC-UONOGXRCSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H](CC(=O)NC/C=C/CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574502469 950380597 /nfs/dbraw/zinc/38/05/97/950380597.db2.gz NUMGHWLIIOZOBE-OOPCZODUSA-N 0 1 381.444 0.695 20 0 GCADMN C[C@H](CC(=O)NC/C=C\CNc1ccncc1-c1nn[nH]n1)c1cnn(C)c1 ZINC001574502467 950380691 /nfs/dbraw/zinc/38/06/91/950380691.db2.gz NUMGHWLIIOZOBE-DHCBQETCSA-N 0 1 381.444 0.695 20 0 GCADMN CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576197392 950388430 /nfs/dbraw/zinc/38/84/30/950388430.db2.gz MUTWIAMIBCEHSG-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1cncc(-c2nnn[n-]2)n1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576197392 950388451 /nfs/dbraw/zinc/38/84/51/950388451.db2.gz MUTWIAMIBCEHSG-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576197392 950388474 /nfs/dbraw/zinc/38/84/74/950388474.db2.gz MUTWIAMIBCEHSG-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN CC(C)N(CCN(C)c1cncc(-c2nn[n-]n2)n1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576197392 950388489 /nfs/dbraw/zinc/38/84/89/950388489.db2.gz MUTWIAMIBCEHSG-CQSZACIVSA-N 0 1 387.492 0.672 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)Cc1ccn(C)n1 ZINC001575909332 950394124 /nfs/dbraw/zinc/39/41/24/950394124.db2.gz YVBDCASBYBQPNG-FZMZJTMJSA-N 0 1 386.485 0.983 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)Cc1ccn(C)n1 ZINC001575909332 950394144 /nfs/dbraw/zinc/39/41/44/950394144.db2.gz YVBDCASBYBQPNG-FZMZJTMJSA-N 0 1 386.485 0.983 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574162727 950399057 /nfs/dbraw/zinc/39/90/57/950399057.db2.gz HWIYZTHPCLQUFC-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574162727 950399076 /nfs/dbraw/zinc/39/90/76/950399076.db2.gz HWIYZTHPCLQUFC-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574162727 950399101 /nfs/dbraw/zinc/39/91/01/950399101.db2.gz HWIYZTHPCLQUFC-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574162727 950399119 /nfs/dbraw/zinc/39/91/19/950399119.db2.gz HWIYZTHPCLQUFC-HZSPNIEDSA-N 0 1 387.492 0.940 20 0 GCADMN C[C@@H](CC(=O)NCC1CCN(c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574503040 950401740 /nfs/dbraw/zinc/40/17/40/950401740.db2.gz SMYDVJNDYFSVAA-NSHDSACASA-N 0 1 387.448 0.041 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC(Nc3cncc(-c4nnn[n-]4)n3)CC2)CC1 ZINC001576198401 950407474 /nfs/dbraw/zinc/40/74/74/950407474.db2.gz SKIWRLCVQNYHOM-UHFFFAOYSA-N 0 1 385.476 0.792 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC(Nc3cncc(-c4nn[n-]n4)n3)CC2)CC1 ZINC001576198401 950407492 /nfs/dbraw/zinc/40/74/92/950407492.db2.gz SKIWRLCVQNYHOM-UHFFFAOYSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1[C@@H](NCc2ncc(Cl)n2C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575909868 950407556 /nfs/dbraw/zinc/40/75/56/950407556.db2.gz IROCXWSGPOFPBW-ONGXEEELSA-N 0 1 389.851 0.975 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3cncc(-c4nnn[n-]4)n3)C2)CC1 ZINC001576198499 950411391 /nfs/dbraw/zinc/41/13/91/950411391.db2.gz UBQNBASKSGYYMM-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3cncc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576198499 950411399 /nfs/dbraw/zinc/41/13/99/950411399.db2.gz UBQNBASKSGYYMM-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc(C(C)(C)C)n[nH]1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574747779 950418083 /nfs/dbraw/zinc/41/80/83/950418083.db2.gz XELSOONGALUAJZ-SNVBAGLBSA-N 0 1 384.448 0.672 20 0 GCADMN C[C@H]1[C@H](Nc2ccc(-c3nn[n-]n3)nn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576199298 950426736 /nfs/dbraw/zinc/42/67/36/950426736.db2.gz YGWIQLAPFHPXRF-UONOGXRCSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H](NC(=O)CN1CCC(C)CC1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576202851 950435454 /nfs/dbraw/zinc/43/54/54/950435454.db2.gz CYFPCVFKHWAAIG-STQMWFEESA-N 0 1 388.476 0.550 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@@]2(C)CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001576203273 950442771 /nfs/dbraw/zinc/44/27/71/950442771.db2.gz GDZHHTJVTQXYBR-SFHVURJKSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576203277 950446100 /nfs/dbraw/zinc/44/61/00/950446100.db2.gz GEWBJTXWQIRJCS-XIKOKIGWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2cncc(-c3nn[n-]n3)n2)C2CC2)C1 ZINC001576203277 950446115 /nfs/dbraw/zinc/44/61/15/950446115.db2.gz GEWBJTXWQIRJCS-XIKOKIGWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CCNc3nccnc3-c3nn[nH]n3)C2)C1 ZINC001576203786 950449114 /nfs/dbraw/zinc/44/91/14/950449114.db2.gz JJDWLGOZHMITKJ-RRFJBIMHSA-N 0 1 399.503 0.895 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576203786 950449126 /nfs/dbraw/zinc/44/91/26/950449126.db2.gz JJDWLGOZHMITKJ-RRFJBIMHSA-N 0 1 399.503 0.895 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576203786 950449140 /nfs/dbraw/zinc/44/91/40/950449140.db2.gz JJDWLGOZHMITKJ-RRFJBIMHSA-N 0 1 399.503 0.895 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2C[C@@H](C)[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576203786 950449159 /nfs/dbraw/zinc/44/91/59/950449159.db2.gz JJDWLGOZHMITKJ-RRFJBIMHSA-N 0 1 399.503 0.895 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576203786 950449179 /nfs/dbraw/zinc/44/91/79/950449179.db2.gz JJDWLGOZHMITKJ-RRFJBIMHSA-N 0 1 399.503 0.895 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576204055 950454460 /nfs/dbraw/zinc/45/44/60/950454460.db2.gz KNPMHWCBZXPDDR-KZULUSFZSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576204055 950454472 /nfs/dbraw/zinc/45/44/72/950454472.db2.gz KNPMHWCBZXPDDR-KZULUSFZSA-N 0 1 385.476 0.695 20 0 GCADMN CC1CCN(CC(=O)NC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CC1 ZINC001576204068 950454680 /nfs/dbraw/zinc/45/46/80/950454680.db2.gz KTHLDBSZYLIWKV-UHFFFAOYSA-N 0 1 386.460 0.305 20 0 GCADMN CC1CC[NH+](CC(=O)N[C@]2(C)CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001576204319 950458995 /nfs/dbraw/zinc/45/89/95/950458995.db2.gz NWTHCYPWWRHRHW-GOSISDBHSA-N 0 1 385.476 0.474 20 0 GCADMN CC1(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2O)CCCCCC1 ZINC001575605332 950460128 /nfs/dbraw/zinc/46/01/28/950460128.db2.gz MIFNHDJDWOZLTI-CHWSQXEVSA-N 0 1 386.460 0.683 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc[n+]([O-])cc1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574751624 950461149 /nfs/dbraw/zinc/46/11/49/950461149.db2.gz PDJFTOCYDZDUFB-LBPRGKRZSA-N 0 1 385.403 0.890 20 0 GCADMN CC1(C(=O)N[C@@H]2CN(Cc3ccccc3-c3nn[nH]n3)C[C@@H]2O)CCOCC1 ZINC001575605386 950464634 /nfs/dbraw/zinc/46/46/34/950464634.db2.gz NIBIEIBLBBUNHL-CVEARBPZSA-N 0 1 386.456 0.345 20 0 GCADMN C[C@H](CNC(=O)CN1CCC(C)CC1)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576204699 950474631 /nfs/dbraw/zinc/47/46/31/950474631.db2.gz AOZLRXBLNOYCNS-CYBMUJFWSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204903 950482584 /nfs/dbraw/zinc/48/25/84/950482584.db2.gz DNICWYJBTJJEMX-NEPJUHHUSA-N 0 1 377.424 0.237 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](CO)Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576204903 950482596 /nfs/dbraw/zinc/48/25/96/950482596.db2.gz DNICWYJBTJJEMX-NEPJUHHUSA-N 0 1 377.424 0.237 20 0 GCADMN 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ZINC001574754012 950556017 /nfs/dbraw/zinc/55/60/17/950556017.db2.gz VRWYTUPLLBJXAA-JTQLQIEISA-N 0 1 388.457 0.272 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccc(=O)n(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574754012 950556032 /nfs/dbraw/zinc/55/60/32/950556032.db2.gz VRWYTUPLLBJXAA-JTQLQIEISA-N 0 1 388.457 0.272 20 0 GCADMN C[C@@H](CNC(=O)c1cc(Cl)cn1C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574998848 950565773 /nfs/dbraw/zinc/56/57/73/950565773.db2.gz BMBQHBZAGLMNCS-SECBINFHSA-N 0 1 375.824 0.549 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001576206598 950575101 /nfs/dbraw/zinc/57/51/01/950575101.db2.gz YBGPPRVNMKVDFK-JSGCOSHPSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001576206598 950575116 /nfs/dbraw/zinc/57/51/16/950575116.db2.gz YBGPPRVNMKVDFK-JSGCOSHPSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@@H](CNC(=O)CN1CCC(C)CC1)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001576206805 950576859 /nfs/dbraw/zinc/57/68/59/950576859.db2.gz YTEHFPNTWGJBCN-ZDUSSCGKSA-N 0 1 388.476 0.409 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C)NC(N)=O ZINC001574512769 950584793 /nfs/dbraw/zinc/58/47/93/950584793.db2.gz BXRZUHFMEFVRQO-UMNHJUIQSA-N 0 1 392.489 0.454 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)[C@@H]1C)NC(N)=O ZINC001574512769 950584803 /nfs/dbraw/zinc/58/48/03/950584803.db2.gz BXRZUHFMEFVRQO-UMNHJUIQSA-N 0 1 392.489 0.454 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(F)F)n[nH]1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574999742 950591304 /nfs/dbraw/zinc/59/13/04/950591304.db2.gz MSFGPVSVAZBFLI-ZETCQYMHSA-N 0 1 378.347 0.572 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)COC1CCCCC1 ZINC001575918420 950592681 /nfs/dbraw/zinc/59/26/81/950592681.db2.gz BUQUSNLXTWAIHA-GXTWGEPZSA-N 0 1 386.460 0.829 20 0 GCADMN CC1(C)C(C)(C)C1(C)C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001575616943 950594505 /nfs/dbraw/zinc/59/45/05/950594505.db2.gz VSDYCIQUEOGMJT-UHFFFAOYSA-N 0 1 387.488 0.989 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cc1ncccc1F ZINC001575919024 950603976 /nfs/dbraw/zinc/60/39/76/950603976.db2.gz FNOFOYRPYUTXTM-JQWIXIFHSA-N 0 1 383.391 0.257 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1ccco1 ZINC001574515186 950623274 /nfs/dbraw/zinc/62/32/74/950623274.db2.gz BVVKGLZEGLJHPB-PVTKRXDGSA-N 0 1 380.412 0.994 20 0 GCADMN C[C@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575001157 950624559 /nfs/dbraw/zinc/62/45/59/950624559.db2.gz ULLMPQPNXTVATG-JTQLQIEISA-N 0 1 382.432 0.168 20 0 GCADMN CC[N@H+]1CC[C@H](CNC(=O)[C@@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001589742967 950631423 /nfs/dbraw/zinc/63/14/23/950631423.db2.gz YBYJSXDNWWNUEE-FZKQIMNGSA-N 0 1 385.461 0.535 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccnn1CC(F)F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574759237 950632338 /nfs/dbraw/zinc/63/23/38/950632338.db2.gz AGSYDQZCTAMSRO-SECBINFHSA-N 0 1 392.374 0.113 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cnc(Cl)n1C ZINC001575920588 950633597 /nfs/dbraw/zinc/63/35/97/950633597.db2.gz MQDTXHULKPNRFM-DTWKUNHWSA-N 0 1 388.823 0.181 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1ccc2c(c1)CCO2 ZINC001575921543 950640170 /nfs/dbraw/zinc/64/01/70/950640170.db2.gz NZUWTIVMACUDMO-BXUZGUMPSA-N 0 1 392.423 0.729 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576213859 950648987 /nfs/dbraw/zinc/64/89/87/950648987.db2.gz JPROESIRMCWKEU-IHRRRGAJSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nnn[n-]3)CC2)C1 ZINC001576213859 950649002 /nfs/dbraw/zinc/64/90/02/950649002.db2.gz JPROESIRMCWKEU-IHRRRGAJSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576213859 950649023 /nfs/dbraw/zinc/64/90/23/950649023.db2.gz JPROESIRMCWKEU-IHRRRGAJSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3nccnc3-c3nn[n-]n3)CC2)C1 ZINC001576213859 950649039 /nfs/dbraw/zinc/64/90/39/950649039.db2.gz JPROESIRMCWKEU-IHRRRGAJSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574517836 950652142 /nfs/dbraw/zinc/65/21/42/950652142.db2.gz MKTPTPSYSDGPSV-LPEHRKFASA-N 0 1 378.462 0.112 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574517836 950652164 /nfs/dbraw/zinc/65/21/64/950652164.db2.gz MKTPTPSYSDGPSV-LPEHRKFASA-N 0 1 378.462 0.112 20 0 GCADMN C[C@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574759927 950652568 /nfs/dbraw/zinc/65/25/68/950652568.db2.gz GPKLTKKGTKVQQR-LLVKDONJSA-N 0 1 381.444 0.867 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cc1ncccc1F ZINC001575922990 950655125 /nfs/dbraw/zinc/65/51/25/950655125.db2.gz BJMDKLUKOPABPH-RISCZKNCSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575924064 950666486 /nfs/dbraw/zinc/66/64/86/950666486.db2.gz RNGTTZSACKUMJQ-ONGXEEELSA-N 0 1 388.823 0.030 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760509 950667615 /nfs/dbraw/zinc/66/76/15/950667615.db2.gz WFIHCHQROQLQJE-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccnc(N(C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760508 950669076 /nfs/dbraw/zinc/66/90/76/950669076.db2.gz WFIHCHQROQLQJE-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576214410 950669533 /nfs/dbraw/zinc/66/95/33/950669533.db2.gz ACHZBQZKDVWJQL-NWDGAFQWSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001576214838 950683221 /nfs/dbraw/zinc/68/32/21/950683221.db2.gz CPQGOCSJBYUWQC-IINYFYTJSA-N 0 1 382.432 0.298 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1ccnn1C ZINC001575925313 950685323 /nfs/dbraw/zinc/68/53/23/950685323.db2.gz GVGIPGRIBOEXIL-WFASDCNBSA-N 0 1 381.444 0.451 20 0 GCADMN CC1(C)CC(C(=O)N2CCCO[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001575625433 950687092 /nfs/dbraw/zinc/68/70/92/950687092.db2.gz TXUFXMQPKQSCQY-CYBMUJFWSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)C[C@@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215186 950693132 /nfs/dbraw/zinc/69/31/32/950693132.db2.gz DOIIKYAILWKGIT-RYUDHWBXSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001575925754 950693872 /nfs/dbraw/zinc/69/38/72/950693872.db2.gz USPYBLVXXCWVEF-JGVFFNPUSA-N 0 1 391.848 0.904 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnn2c1C[C@H](C)CC2 ZINC001576215335 950695557 /nfs/dbraw/zinc/69/55/57/950695557.db2.gz FNXYYISXYDALKO-NEPJUHHUSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576215414 950698841 /nfs/dbraw/zinc/69/88/41/950698841.db2.gz UZWJFEGEHLPZTC-RMHZUWNSSA-N 0 1 382.472 0.829 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001576215414 950698852 /nfs/dbraw/zinc/69/88/52/950698852.db2.gz UZWJFEGEHLPZTC-RMHZUWNSSA-N 0 1 382.472 0.829 20 0 GCADMN CC1(C)C2CCC1(C(=O)NC[C@@H](O)CNc1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001575626037 950704395 /nfs/dbraw/zinc/70/43/95/950704395.db2.gz WHQFFHRFLJOMSC-LASWEOPPSA-N 0 1 386.460 0.184 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@@H](C)CN(C)c1ccncc1-c1nn[nH]n1 ZINC001574179614 950708001 /nfs/dbraw/zinc/70/80/01/950708001.db2.gz GQZCJVQTRPSORK-ZDUSSCGKSA-N 0 1 388.476 0.755 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2ncnn21 ZINC001575926352 950710907 /nfs/dbraw/zinc/71/09/07/950710907.db2.gz JLACBLOJAGEARP-YPMHNXCESA-N 0 1 390.411 0.441 20 0 GCADMN C[C@@H]1CCc2nc(C(=O)NCCN(C)c3ccnc(-c4nn[nH]n4)n3)cn2C1 ZINC001576215833 950714578 /nfs/dbraw/zinc/71/45/78/950714578.db2.gz GNQABQHZIJKVMB-LLVKDONJSA-N 0 1 382.432 0.302 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cn2c(n1)CCC2 ZINC001575926719 950717935 /nfs/dbraw/zinc/71/79/35/950717935.db2.gz LEIADFCODOYXCL-DGCLKSJQSA-N 0 1 379.428 0.541 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(CC2CC2)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763584 950723088 /nfs/dbraw/zinc/72/30/88/950723088.db2.gz FNHDZZVCOFYLOT-LBPRGKRZSA-N 0 1 381.444 0.863 20 0 GCADMN C[C@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216288 950727803 /nfs/dbraw/zinc/72/78/03/950727803.db2.gz HOPJPJPMWQLVPW-GHMZBOCLSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[n-]n3)n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575926993 950732649 /nfs/dbraw/zinc/73/26/49/950732649.db2.gz ZMRUDNZLZAJLFP-ZIAGYGMSSA-N 0 1 385.476 0.356 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnc(C2CC2)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763841 950734255 /nfs/dbraw/zinc/73/42/55/950734255.db2.gz LYZVGJIRMUUIKJ-SECBINFHSA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575927087 950737142 /nfs/dbraw/zinc/73/71/42/950737142.db2.gz NGWUTGASGYDXDG-FZMZJTMJSA-N 0 1 385.407 0.565 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C)c1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574763939 950739560 /nfs/dbraw/zinc/73/95/60/950739560.db2.gz NFRBXCNJFLAEOZ-SNVBAGLBSA-N 0 1 382.432 0.262 20 0 GCADMN CC(C)CCC(=O)NCC(=O)NC[C@@H](C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574181400 950743035 /nfs/dbraw/zinc/74/30/35/950743035.db2.gz MNXNMOFOIYGSMJ-CYBMUJFWSA-N 0 1 388.476 0.755 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1n[nH]c2c1C[C@@H](C)CC2 ZINC001576216934 950744969 /nfs/dbraw/zinc/74/49/69/950744969.db2.gz KEZOMBNOCWGJID-VHSXEESVSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@@H](CNC(=O)c1cn2c(n1)CC[C@@H](C)C2)Nc1ccncc1-c1nn[nH]n1 ZINC001576216882 950747425 /nfs/dbraw/zinc/74/74/25/950747425.db2.gz JWMMDNMLPASYNB-NEPJUHHUSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@@H](CNC(=O)c1n[nH]c2c1C[C@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216972 950749576 /nfs/dbraw/zinc/74/95/76/950749576.db2.gz LEWWWWQUSXIEMW-ZJUUUORDSA-N 0 1 382.432 0.157 20 0 GCADMN CC1(C)CC(C(=O)NC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CCCO2)C1 ZINC001575630338 950760255 /nfs/dbraw/zinc/76/02/55/950760255.db2.gz BMCFKFZFTZEUAT-CYBMUJFWSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCNC(N)=O ZINC001574521068 950766255 /nfs/dbraw/zinc/76/62/55/950766255.db2.gz CUWXYQMOAODZSY-NXEZZACHSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCNC(N)=O ZINC001574521068 950766266 /nfs/dbraw/zinc/76/62/66/950766266.db2.gz CUWXYQMOAODZSY-NXEZZACHSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CS(C)(=O)=O ZINC001574521041 950767558 /nfs/dbraw/zinc/76/75/58/950767558.db2.gz CPFNQTUSDCMHAD-UWVGGRQHSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CS(C)(=O)=O ZINC001574521041 950767575 /nfs/dbraw/zinc/76/75/75/950767575.db2.gz CPFNQTUSDCMHAD-UWVGGRQHSA-N 0 1 386.503 0.346 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575928097 950772002 /nfs/dbraw/zinc/77/20/02/950772002.db2.gz YPGYXEGGLKISRZ-GWCFXTLKSA-N 0 1 379.428 0.999 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cc(C2CC2)n[nH]1 ZINC001575928100 950772803 /nfs/dbraw/zinc/77/28/03/950772803.db2.gz YPGYXEGGLKISRZ-ZWNOBZJWSA-N 0 1 379.428 0.999 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574521308 950773863 /nfs/dbraw/zinc/77/38/63/950773863.db2.gz FHWUJXBVPMJIOY-NEPJUHHUSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CN1CCCC1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574521308 950773881 /nfs/dbraw/zinc/77/38/81/950773881.db2.gz FHWUJXBVPMJIOY-NEPJUHHUSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CN1CCCC1=O ZINC001574521309 950774197 /nfs/dbraw/zinc/77/41/97/950774197.db2.gz FHWUJXBVPMJIOY-NWDGAFQWSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CN1CCCC1=O ZINC001574521309 950774209 /nfs/dbraw/zinc/77/42/09/950774209.db2.gz FHWUJXBVPMJIOY-NWDGAFQWSA-N 0 1 391.501 0.924 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)C)C[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576218057 950777945 /nfs/dbraw/zinc/77/79/45/950777945.db2.gz KOEGMQBULKLMTG-SGTLLEGYSA-N 0 1 386.460 0.899 20 0 GCADMN CC(C)(C)c1nc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)co1 ZINC001573884137 950786673 /nfs/dbraw/zinc/78/66/73/950786673.db2.gz ACSUSJHIAQIQGA-JTQLQIEISA-N 0 1 383.416 0.951 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574765530 950791116 /nfs/dbraw/zinc/79/11/16/950791116.db2.gz DNKIKASLTLHTSE-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC001576218902 950794584 /nfs/dbraw/zinc/79/45/84/950794584.db2.gz RWWKNMCATWBVQB-GHMZBOCLSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@H](C[C@@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NC(=O)CCc1cnc[nH]1 ZINC001574522803 950798503 /nfs/dbraw/zinc/79/85/03/950798503.db2.gz LBXKJVCCGYMGIV-GHMZBOCLSA-N 0 1 385.432 0.564 20 0 GCADMN C[C@@H](CN(C)C(=O)c1snnc1C1CC1)Nc1ccncc1-c1nn[nH]n1 ZINC001574765880 950800120 /nfs/dbraw/zinc/80/01/20/950800120.db2.gz FOPMQLGSUYDMRW-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cncn1 ZINC001574522854 950800671 /nfs/dbraw/zinc/80/06/71/950800671.db2.gz LJWZKSGSTQIQRN-GHMZBOCLSA-N 0 1 375.462 0.593 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cncn1 ZINC001574522854 950800695 /nfs/dbraw/zinc/80/06/95/950800695.db2.gz LJWZKSGSTQIQRN-GHMZBOCLSA-N 0 1 375.462 0.593 20 0 GCADMN C[C@@H]1CCn2cc(C(=O)NCCCNc3ccncc3-c3nn[nH]n3)nc2C1 ZINC001576219735 950813460 /nfs/dbraw/zinc/81/34/60/950813460.db2.gz UBNUBNCYKFROLJ-GFCCVEGCSA-N 0 1 381.444 0.694 20 0 GCADMN CC(C)(C)c1nc(CNC2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC001573885113 950816579 /nfs/dbraw/zinc/81/65/79/950816579.db2.gz PJNBQVZECHCKHG-UHFFFAOYSA-N 0 1 384.448 0.663 20 0 GCADMN CC(C)(C)c1n[nH]cc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573885119 950818290 /nfs/dbraw/zinc/81/82/90/950818290.db2.gz SBOCGXYXHAFCJD-UHFFFAOYSA-N 0 1 382.432 0.474 20 0 GCADMN C[C@H](CN(C)C(=O)c1nn(C)cc1Cl)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766697 950825880 /nfs/dbraw/zinc/82/58/80/950825880.db2.gz KJZPWTABFZABPF-MRVPVSSYSA-N 0 1 376.812 0.038 20 0 GCADMN CC(C)(C)c1n[nH]cc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573885515 950826400 /nfs/dbraw/zinc/82/64/00/950826400.db2.gz YGSXEAUDWZOJSV-SNVBAGLBSA-N 0 1 382.432 0.686 20 0 GCADMN CC(C)(C)c1nc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001573885509 950827790 /nfs/dbraw/zinc/82/77/90/950827790.db2.gz SYIIEQAKLFBEPU-LLVKDONJSA-N 0 1 384.448 0.615 20 0 GCADMN C[C@H]1CCc2[nH]nc(C(=O)N(C)CCNc3ccnc(-c4nn[nH]n4)n3)c2C1 ZINC001576221035 950844420 /nfs/dbraw/zinc/84/44/20/950844420.db2.gz YXALFHJPSPOCSY-JTQLQIEISA-N 0 1 382.432 0.111 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)Cc1ccnc(N(C)C)c1 ZINC001575011252 950846888 /nfs/dbraw/zinc/84/68/88/950846888.db2.gz OCNQIMPBFDJZQH-GFCCVEGCSA-N 0 1 383.460 0.906 20 0 GCADMN C[C@H]1[C@@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575934685 950861550 /nfs/dbraw/zinc/86/15/50/950861550.db2.gz SKZLNHZSEBGMCJ-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575934685 950861562 /nfs/dbraw/zinc/86/15/62/950861562.db2.gz SKZLNHZSEBGMCJ-KBPBESRZSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H](CN(C)C(=O)c1onc2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574767981 950875012 /nfs/dbraw/zinc/87/50/12/950875012.db2.gz SEFMYOGXKXXOPR-SNVBAGLBSA-N 0 1 383.416 0.518 20 0 GCADMN CC(C)(C)n1cc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001573893935 950913387 /nfs/dbraw/zinc/91/33/87/950913387.db2.gz CTGSXKZRFUSPAY-NSHDSACASA-N 0 1 382.432 0.357 20 0 GCADMN C[C@H]1CN(C(=O)C2(C)CC2)C[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576227520 950914126 /nfs/dbraw/zinc/91/41/26/950914126.db2.gz DKWAJVVUEJGHEC-SGTLLEGYSA-N 0 1 384.444 0.653 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C)CC2)C[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)O1 ZINC001576227519 950915641 /nfs/dbraw/zinc/91/56/41/950915641.db2.gz DKWAJVVUEJGHEC-KZULUSFZSA-N 0 1 384.444 0.653 20 0 GCADMN CC(C)(C)n1cc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001573894017 950918399 /nfs/dbraw/zinc/91/83/99/950918399.db2.gz IYFYTICSFQXSTB-GFCCVEGCSA-N 0 1 382.432 0.357 20 0 GCADMN C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576228140 950934302 /nfs/dbraw/zinc/93/43/02/950934302.db2.gz JFZFVGHBLYIQCE-MLGOLLRUSA-N 0 1 390.451 0.752 20 0 GCADMN CC1CC(C(=O)N(C)C[C@@H](O)CNCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575937021 950934933 /nfs/dbraw/zinc/93/49/33/950934933.db2.gz CEUIRZJDPSBFBM-KWCHVYNWSA-N 0 1 376.436 0.961 20 0 GCADMN CC(C)(C)n1cc(CN[C@H]2C[C@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001573894754 950935740 /nfs/dbraw/zinc/93/57/40/950935740.db2.gz ZHWAHHTXAJWGBY-XYPYZODXSA-N 0 1 384.448 0.592 20 0 GCADMN C[C@@H]1CN(C(=O)C2(F)CCOCC2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001576228359 950937646 /nfs/dbraw/zinc/93/76/46/950937646.db2.gz HOYPUZVLNCDMHL-TZMCWYRMSA-N 0 1 389.435 0.851 20 0 GCADMN CC(C)(C)n1cc(CN[C@H]2C[C@@H](NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001573894749 950939138 /nfs/dbraw/zinc/93/91/38/950939138.db2.gz ZHWAHHTXAJWGBY-PHIMTYICSA-N 0 1 384.448 0.592 20 0 GCADMN CC(C)(CC(=O)NC[C@H](O)CNc1ccncc1-c1nn[nH]n1)CC(F)F ZINC001573896619 950947550 /nfs/dbraw/zinc/94/75/50/950947550.db2.gz IQQHLYLGJBJLKY-SNVBAGLBSA-N 0 1 383.403 0.644 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576230038 950984101 /nfs/dbraw/zinc/98/41/01/950984101.db2.gz LCYNRNXBEWOMLA-QWHCGFSZSA-N 0 1 385.476 0.069 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575017347 950992410 /nfs/dbraw/zinc/99/24/10/950992410.db2.gz DOFZNJZUXGDBRZ-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(F)F)nc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575017421 950995964 /nfs/dbraw/zinc/99/59/64/950995964.db2.gz FURHYZJSNSPIFV-MRVPVSSYSA-N 0 1 375.343 0.642 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CN1CCCC1=O ZINC001574774048 951004527 /nfs/dbraw/zinc/00/45/27/951004527.db2.gz BNHNJAWTMUCHRS-GFCCVEGCSA-N 0 1 389.435 0.565 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1ccccc1F ZINC001575018958 951027704 /nfs/dbraw/zinc/02/77/04/951027704.db2.gz RTIJZMZDPFNSFL-SNVBAGLBSA-N 0 1 386.391 0.681 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575019403 951037497 /nfs/dbraw/zinc/03/74/97/951037497.db2.gz SVDNBFIRAONLRN-JTQLQIEISA-N 0 1 381.400 0.010 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575019797 951045001 /nfs/dbraw/zinc/04/50/01/951045001.db2.gz VRZAFBDVPRVXTR-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575019797 951045008 /nfs/dbraw/zinc/04/50/08/951045008.db2.gz VRZAFBDVPRVXTR-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)s1)CNc1ccncc1-c1nn[nH]n1 ZINC001575024134 951093797 /nfs/dbraw/zinc/09/37/97/951093797.db2.gz WBZOQMGVZWLTAA-VIFPVBQESA-N 0 1 386.441 0.322 20 0 GCADMN CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)cn1 ZINC001575024484 951105401 /nfs/dbraw/zinc/10/54/01/951105401.db2.gz FOFOKYJWGWWFER-NSHDSACASA-N 0 1 383.416 0.491 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(n1)OCCO2)Nc1ccncc1-c1nn[nH]n1 ZINC001575024628 951110664 /nfs/dbraw/zinc/11/06/64/951110664.db2.gz JMDFKBBCICWMLT-SNVBAGLBSA-N 0 1 382.384 0.080 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575025816 951133680 /nfs/dbraw/zinc/13/36/80/951133680.db2.gz BFBRRXDYZBGMSN-GFCCVEGCSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C(N)=O)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575025987 951138563 /nfs/dbraw/zinc/13/85/63/951138563.db2.gz DRKXQSBCRFHJMR-SNVBAGLBSA-N 0 1 381.400 0.010 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027510 951158334 /nfs/dbraw/zinc/15/83/34/951158334.db2.gz RAPYFHDWEAUMLZ-JTQLQIEISA-N 0 1 381.400 0.010 20 0 GCADMN C[C@H](CNC(=O)c1cccc2scnc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027978 951164636 /nfs/dbraw/zinc/16/46/36/951164636.db2.gz KIAYNOBPQWWAKY-SECBINFHSA-N 0 1 381.425 0.919 20 0 GCADMN C[C@H](CNC(=O)c1cccc2c1OCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575029404 951186720 /nfs/dbraw/zinc/18/67/20/951186720.db2.gz USRKJCTYEJEOGL-NSHDSACASA-N 0 1 380.412 0.492 20 0 GCADMN C[C@H](CNC(=O)c1cccn(C)c1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575031686 951200873 /nfs/dbraw/zinc/20/08/73/951200873.db2.gz GXNUILMCEQPWEU-LLVKDONJSA-N 0 1 385.403 0.613 20 0 GCADMN C[C@@H](CNC(=O)c1cccn(C)c1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575031687 951201734 /nfs/dbraw/zinc/20/17/34/951201734.db2.gz GXNUILMCEQPWEU-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@H](CNC(=O)c1cccn(C)c1=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575032017 951212561 /nfs/dbraw/zinc/21/25/61/951212561.db2.gz OJLWIQKZLLMTPK-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CNC(=O)c1cccn(C)c1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575032017 951212569 /nfs/dbraw/zinc/21/25/69/951212569.db2.gz OJLWIQKZLLMTPK-LLVKDONJSA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1ccnn1C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575033965 951235818 /nfs/dbraw/zinc/23/58/18/951235818.db2.gz FPBJDFBEWQUOPX-ZETCQYMHSA-N 0 1 381.853 0.965 20 0 GCADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[C@@H](C)C1 ZINC001591878709 951241196 /nfs/dbraw/zinc/24/11/96/951241196.db2.gz XHCRUVHKLMJFCV-GGXPGOJBSA-N 0 1 383.489 0.866 20 0 GCADMN CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@H]3COC[C@@]3(C(=O)[O-])C2)[C@H](C)C1 ZINC001591878707 951241524 /nfs/dbraw/zinc/24/15/24/951241524.db2.gz XHCRUVHKLMJFCV-DRMAHVMPSA-N 0 1 383.489 0.866 20 0 GCADMN C[C@H](CNC(=O)c1ccn(C(F)F)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575034347 951243559 /nfs/dbraw/zinc/24/35/59/951243559.db2.gz ATUWIMKYEYGTFR-QMMMGPOBSA-N 0 1 378.347 0.148 20 0 GCADMN C[C@H](CNC(=O)c1ccnn1CC1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575035014 951264299 /nfs/dbraw/zinc/26/42/99/951264299.db2.gz SIROTZIXVIQKHG-LLVKDONJSA-N 0 1 382.432 0.306 20 0 GCADMN C[C@H](CNC(=O)C1=NC(=O)N(C)C1)N(C)c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575041750 951348564 /nfs/dbraw/zinc/34/85/64/951348564.db2.gz BFUDTXUMXFWYNY-MRVPVSSYSA-N 0 1 391.823 0.609 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1[C@@H](C)CCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575042716 951371482 /nfs/dbraw/zinc/37/14/82/951371482.db2.gz BCWYKUIGARMBSF-QWRGUYRKSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C(F)F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575043326 951384980 /nfs/dbraw/zinc/38/49/80/951384980.db2.gz QCRACEJJBOUQDB-MRVPVSSYSA-N 0 1 392.374 0.583 20 0 GCADMN C[C@H](CNC(=O)c1cnc(Cl)n1C)CNc1ccncc1-c1nn[nH]n1 ZINC001575043467 951394796 /nfs/dbraw/zinc/39/47/96/951394796.db2.gz JVPZGSXNFQQPAM-VIFPVBQESA-N 0 1 375.824 0.549 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043951 951405938 /nfs/dbraw/zinc/40/59/38/951405938.db2.gz XITZARSGIVCCDJ-JTQLQIEISA-N 0 1 390.473 0.216 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)c(=O)n1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575043951 951405941 /nfs/dbraw/zinc/40/59/41/951405941.db2.gz XITZARSGIVCCDJ-JTQLQIEISA-N 0 1 390.473 0.216 20 0 GCADMN CC(C)c1ncncc1C(=O)NC[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575045843 951435557 /nfs/dbraw/zinc/43/55/57/951435557.db2.gz JEHJQBKIIJFWPB-LLVKDONJSA-N 0 1 382.432 0.470 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575053699 951480749 /nfs/dbraw/zinc/48/07/49/951480749.db2.gz UOXNLDXADVKFCA-NSHDSACASA-N 0 1 384.448 0.863 20 0 GCADMN C[C@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575056985 951524790 /nfs/dbraw/zinc/52/47/90/951524790.db2.gz NNHNNQGZAXZFCU-JTQLQIEISA-N 0 1 383.416 0.812 20 0 GCADMN C[C@H](CNC(=O)c1coc(C(F)(F)F)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575059372 951543897 /nfs/dbraw/zinc/54/38/97/951543897.db2.gz ZXBWEMXMIADNFV-ZCFIWIBFSA-N 0 1 383.294 0.316 20 0 GCADMN C[C@@H](CNC(=O)c1ncc(F)cc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575060956 951552856 /nfs/dbraw/zinc/55/28/56/951552856.db2.gz KIUGXRJRTBDKCK-MRVPVSSYSA-N 0 1 375.343 0.230 20 0 GCADMN C[C@H](CNC(=O)c1n[nH]c2c1CCCC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575060969 951553411 /nfs/dbraw/zinc/55/34/11/951553411.db2.gz KKWVSYMSCLKTBU-JTQLQIEISA-N 0 1 382.432 0.159 20 0 GCADMN C[C@@H](CNC(=O)c1occ2c1CCOC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575064636 951575199 /nfs/dbraw/zinc/57/51/99/951575199.db2.gz BQJUJWKHBZPNPH-JTQLQIEISA-N 0 1 384.400 0.577 20 0 GCADMN C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575067292 951606215 /nfs/dbraw/zinc/60/62/15/951606215.db2.gz QJJKMYJCFHGRIJ-JTQLQIEISA-N 0 1 384.400 0.222 20 0 GCADMN C[C@@H](CNC(=O)c1occ2c1CCOC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575067293 951607162 /nfs/dbraw/zinc/60/71/62/951607162.db2.gz QJJKMYJCFHGRIJ-SNVBAGLBSA-N 0 1 384.400 0.222 20 0 GCADMN C[C@@H](CNC(=O)c1scc2c1OCCO2)Nc1ccncc1-c1nn[nH]n1 ZINC001575070598 951652053 /nfs/dbraw/zinc/65/20/53/951652053.db2.gz SFZCBNGQEMIJCY-VIFPVBQESA-N 0 1 387.425 0.747 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1=O ZINC001595084716 951716915 /nfs/dbraw/zinc/71/69/15/951716915.db2.gz XFIDYBDBLMXITL-KRWDZBQOSA-N 0 1 389.452 0.458 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CO[C@H]1CCOC1 ZINC001575090701 951763451 /nfs/dbraw/zinc/76/34/51/951763451.db2.gz NLLUCEXKEZZWQO-DOMZBBRYSA-N 0 1 392.435 0.748 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)N1 ZINC001575090904 951765665 /nfs/dbraw/zinc/76/56/65/951765665.db2.gz NXFCFEGRMGVLIA-QMTHXVAHSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CN1CCCC1=O ZINC001575091150 951769782 /nfs/dbraw/zinc/76/97/82/951769782.db2.gz PPZHMQLDWKBDSC-GFCCVEGCSA-N 0 1 389.435 0.565 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575091314 951773591 /nfs/dbraw/zinc/77/35/91/951773591.db2.gz QVWWYPNYIUAFQY-SUMWQHHRSA-N 0 1 392.485 0.718 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575091314 951773600 /nfs/dbraw/zinc/77/36/00/951773600.db2.gz QVWWYPNYIUAFQY-SUMWQHHRSA-N 0 1 392.485 0.718 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575091313 951774093 /nfs/dbraw/zinc/77/40/93/951774093.db2.gz QVWWYPNYIUAFQY-GUYCJALGSA-N 0 1 392.485 0.718 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1COCCO1)C1CC1 ZINC001575091313 951774100 /nfs/dbraw/zinc/77/41/00/951774100.db2.gz QVWWYPNYIUAFQY-GUYCJALGSA-N 0 1 392.485 0.718 20 0 GCADMN O=C([O-])CN1CCCC[C@H](NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)C1=O ZINC001595091290 951777180 /nfs/dbraw/zinc/77/71/80/951777180.db2.gz PCONAEVADRBPDA-IHRRRGAJSA-N 0 1 384.502 0.331 20 0 GCADMN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098997 951827303 /nfs/dbraw/zinc/82/73/03/951827303.db2.gz GUEDDADEAJZYRV-JTQLQIEISA-N 0 1 388.457 0.178 20 0 GCADMN C[C@H](CNC(=O)c1cc(=O)n(C)cn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098997 951827310 /nfs/dbraw/zinc/82/73/10/951827310.db2.gz GUEDDADEAJZYRV-JTQLQIEISA-N 0 1 388.457 0.178 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCS(C)(=O)=O ZINC001575098995 951827881 /nfs/dbraw/zinc/82/78/81/951827881.db2.gz GTLCOFDSFDOOHE-JTQLQIEISA-N 0 1 386.503 0.299 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCS(C)(=O)=O ZINC001575098995 951827889 /nfs/dbraw/zinc/82/78/89/951827889.db2.gz GTLCOFDSFDOOHE-JTQLQIEISA-N 0 1 386.503 0.299 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575099062 951831024 /nfs/dbraw/zinc/83/10/24/951831024.db2.gz IAJDRDBNFAGBHR-MNOVXSKESA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575099062 951831032 /nfs/dbraw/zinc/83/10/32/951831032.db2.gz IAJDRDBNFAGBHR-MNOVXSKESA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099403 951835799 /nfs/dbraw/zinc/83/57/99/951835799.db2.gz LIZMNRKPWBGCAU-PIGZYNQJSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099403 951835804 /nfs/dbraw/zinc/83/58/04/951835804.db2.gz LIZMNRKPWBGCAU-PIGZYNQJSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099889 951839532 /nfs/dbraw/zinc/83/95/32/951839532.db2.gz PWHBFXMELLIKES-QWRGUYRKSA-N 0 1 378.458 0.723 20 0 GCADMN C[C@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099889 951839540 /nfs/dbraw/zinc/83/95/40/951839540.db2.gz PWHBFXMELLIKES-QWRGUYRKSA-N 0 1 378.458 0.723 20 0 GCADMN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099888 951839590 /nfs/dbraw/zinc/83/95/90/951839590.db2.gz PWHBFXMELLIKES-MNOVXSKESA-N 0 1 378.458 0.723 20 0 GCADMN C[C@@H](CNC(=O)C[C@@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099888 951839597 /nfs/dbraw/zinc/83/95/97/951839597.db2.gz PWHBFXMELLIKES-MNOVXSKESA-N 0 1 378.458 0.723 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN1CCCCC1=O ZINC001575100159 951842677 /nfs/dbraw/zinc/84/26/77/951842677.db2.gz RDERCLZIQPJGSR-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN1CCCCC1=O ZINC001575100159 951842685 /nfs/dbraw/zinc/84/26/85/951842685.db2.gz RDERCLZIQPJGSR-LBPRGKRZSA-N 0 1 391.501 0.877 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100233 951845355 /nfs/dbraw/zinc/84/53/55/951845355.db2.gz SECNWCLQFSGKKX-WDEREUQCSA-N 0 1 375.462 0.623 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100233 951845365 /nfs/dbraw/zinc/84/53/65/951845365.db2.gz SECNWCLQFSGKKX-WDEREUQCSA-N 0 1 375.462 0.623 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100949 951851809 /nfs/dbraw/zinc/85/18/09/951851809.db2.gz XHKWMNNREQVWQT-MNOVXSKESA-N 0 1 377.474 0.248 20 0 GCADMN C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100949 951851810 /nfs/dbraw/zinc/85/18/10/951851810.db2.gz XHKWMNNREQVWQT-MNOVXSKESA-N 0 1 377.474 0.248 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001575101103 951853160 /nfs/dbraw/zinc/85/31/60/951853160.db2.gz ZLSIAYDMZCYJCA-PWSUYJOCSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001575101103 951853168 /nfs/dbraw/zinc/85/31/68/951853168.db2.gz ZLSIAYDMZCYJCA-PWSUYJOCSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCn1cncn1 ZINC001575101095 951854186 /nfs/dbraw/zinc/85/41/86/951854186.db2.gz ZIEXTUHFVQTGKC-LLVKDONJSA-N 0 1 375.462 0.547 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCn1cncn1 ZINC001575101095 951854192 /nfs/dbraw/zinc/85/41/92/951854192.db2.gz ZIEXTUHFVQTGKC-LLVKDONJSA-N 0 1 375.462 0.547 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575101112 951854239 /nfs/dbraw/zinc/85/42/39/951854239.db2.gz ZPJHFRRESHRNAB-UWVGGRQHSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H](C)S(C)(=O)=O ZINC001575101112 951854242 /nfs/dbraw/zinc/85/42/42/951854242.db2.gz ZPJHFRRESHRNAB-UWVGGRQHSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101118 951854321 /nfs/dbraw/zinc/85/43/21/951854321.db2.gz ZROLGCWWFYRNKV-NWDGAFQWSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101118 951854332 /nfs/dbraw/zinc/85/43/32/951854332.db2.gz ZROLGCWWFYRNKV-NWDGAFQWSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575101344 951857661 /nfs/dbraw/zinc/85/76/61/951857661.db2.gz BXFUGVIEGAYHEJ-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1c[nH]c(C(N)=O)c1 ZINC001575101344 951857664 /nfs/dbraw/zinc/85/76/64/951857664.db2.gz BXFUGVIEGAYHEJ-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575103314 951876212 /nfs/dbraw/zinc/87/62/12/951876212.db2.gz SICZMXOJEQDIBQ-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCCC(=O)N1 ZINC001575103314 951876218 /nfs/dbraw/zinc/87/62/18/951876218.db2.gz SICZMXOJEQDIBQ-CMPLNLGQSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)Cn1ccccc1=O ZINC001575104046 951880235 /nfs/dbraw/zinc/88/02/35/951880235.db2.gz XCQWUCPZSJKESV-GFCCVEGCSA-N 0 1 387.469 0.727 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)Cn1ccccc1=O ZINC001575104046 951880242 /nfs/dbraw/zinc/88/02/42/951880242.db2.gz XCQWUCPZSJKESV-GFCCVEGCSA-N 0 1 387.469 0.727 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001575104186 951881031 /nfs/dbraw/zinc/88/10/31/951881031.db2.gz XVYUGWMUVSBSRK-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1ccc(=O)n(C)c1 ZINC001575104186 951881040 /nfs/dbraw/zinc/88/10/40/951881040.db2.gz XVYUGWMUVSBSRK-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](CNCc1ncnn1C(C)(C)C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575117425 951979341 /nfs/dbraw/zinc/97/93/41/951979341.db2.gz NRCCQAYYTCZEHC-LLVKDONJSA-N 0 1 386.464 0.697 20 0 GCADMN C[C@H](CNCc1noc2c1COCC2)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575118188 951983457 /nfs/dbraw/zinc/98/34/57/951983457.db2.gz QQZYJAOUXSGODO-SNVBAGLBSA-N 0 1 386.416 0.411 20 0 GCADMN C[C@@H](CNCc1nnnn1C(C)(C)C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575119609 951989503 /nfs/dbraw/zinc/98/95/03/951989503.db2.gz YNIXSENWEBSYFD-JTQLQIEISA-N 0 1 387.452 0.092 20 0 GCADMN C[C@@](CNc1ccc(-c2nn[nH]n2)nn1)(NC(=O)CCc1c[nH]nn1)C1CC1 ZINC001575128810 952072763 /nfs/dbraw/zinc/07/27/63/952072763.db2.gz MPRFCIJXMYIYBK-INIZCTEOSA-N 0 1 383.420 0.104 20 0 GCADMN C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575136316 952124753 /nfs/dbraw/zinc/12/47/53/952124753.db2.gz UUBPPMYDEIHORI-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575136316 952124756 /nfs/dbraw/zinc/12/47/56/952124756.db2.gz UUBPPMYDEIHORI-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC1CCOCC1)C1CC1 ZINC001575137062 952134560 /nfs/dbraw/zinc/13/45/60/952134560.db2.gz SQVWATCNPGDRLX-SFHVURJKSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1ncccc1F)C1CC1 ZINC001575139714 952140632 /nfs/dbraw/zinc/14/06/32/952140632.db2.gz BDSVKAWKNUKTPE-QGZVFWFLSA-N 0 1 383.391 0.623 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001575139853 952142613 /nfs/dbraw/zinc/14/26/13/952142613.db2.gz CQAKWWHEIJCPEZ-CHWSQXEVSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](F)Cc1ccccc1 ZINC001575142213 952146109 /nfs/dbraw/zinc/14/61/09/952146109.db2.gz KGUQXHWRMCJTED-TZMCWYRMSA-N 0 1 384.419 0.918 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575142724 952148360 /nfs/dbraw/zinc/14/83/60/952148360.db2.gz LESOBEQOOHVWBP-CHWSQXEVSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575143628 952154112 /nfs/dbraw/zinc/15/41/12/952154112.db2.gz BTNUSELETGWTIN-LLVKDONJSA-N 0 1 382.432 0.258 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncc(Cl)s1 ZINC001575143601 952155085 /nfs/dbraw/zinc/15/50/85/952155085.db2.gz BLKXRDURPJAQNH-ZETCQYMHSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(CC2CC2)c1 ZINC001575143629 952156008 /nfs/dbraw/zinc/15/60/08/952156008.db2.gz BTNUSELETGWTIN-NSHDSACASA-N 0 1 382.432 0.258 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1coc(CC2CC2)n1 ZINC001575143811 952158179 /nfs/dbraw/zinc/15/81/79/952158179.db2.gz CSSTWKBSNUXRHN-JTQLQIEISA-N 0 1 383.416 0.592 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1[nH]cnc1C(C)(C)C ZINC001575144353 952166157 /nfs/dbraw/zinc/16/61/57/952166157.db2.gz HVEYXWZZTRTGCW-SNVBAGLBSA-N 0 1 384.448 0.672 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575144491 952167866 /nfs/dbraw/zinc/16/78/66/952167866.db2.gz IYAVIQFBZYLOSJ-NSHDSACASA-N 0 1 384.448 0.603 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C(F)F)n[nH]1 ZINC001575144614 952169452 /nfs/dbraw/zinc/16/94/52/952169452.db2.gz JNBWVMYLVLCXRN-ZETCQYMHSA-N 0 1 378.347 0.312 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)[C@@H]1CCO[C@H]1C1CC1)C1CC1 ZINC001575144760 952170343 /nfs/dbraw/zinc/17/03/43/952170343.db2.gz XWCWZBYIQLCQNY-FRIZHTMISA-N 0 1 398.471 0.591 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)COCC(F)F)C1CC1 ZINC001575144718 952171212 /nfs/dbraw/zinc/17/12/12/952171212.db2.gz KSZLTVMFMSXISZ-MRXNPFEDSA-N 0 1 381.387 0.662 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn(C)nc1C1CC1 ZINC001575144798 952172241 /nfs/dbraw/zinc/17/22/41/952172241.db2.gz LSMDMZLEYLMHAS-SNVBAGLBSA-N 0 1 382.432 0.262 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1ccon1)C1CC1 ZINC001575144827 952172367 /nfs/dbraw/zinc/17/23/67/952172367.db2.gz XYZNTMWDTDCASH-QGZVFWFLSA-N 0 1 383.416 0.396 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc2nonc2c1 ZINC001575144793 952172657 /nfs/dbraw/zinc/17/26/57/952172657.db2.gz LOZJMHZGZUAWFA-SECBINFHSA-N 0 1 380.372 0.187 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575144972 952175932 /nfs/dbraw/zinc/17/59/32/952175932.db2.gz ZTKQQTPEWFYWLT-OAHLLOKOSA-N 0 1 387.429 0.251 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CCn1cccn1)C1CC1 ZINC001575145060 952177279 /nfs/dbraw/zinc/17/72/79/952177279.db2.gz OVPITCZBWJVOPW-SFHVURJKSA-N 0 1 381.444 0.667 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn2ccccc2n1 ZINC001575145107 952178329 /nfs/dbraw/zinc/17/83/29/952178329.db2.gz QAPTVTWTVOQTBL-LLVKDONJSA-N 0 1 378.400 0.299 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575145468 952184451 /nfs/dbraw/zinc/18/44/51/952184451.db2.gz YEHSKLCOMPWCIF-KZULUSFZSA-N 0 1 384.444 0.049 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccn(C(C)(C)C)n1 ZINC001575145460 952184574 /nfs/dbraw/zinc/18/45/74/952184574.db2.gz XYJYRAAQFAYBDY-NSHDSACASA-N 0 1 384.448 0.603 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575145472 952185110 /nfs/dbraw/zinc/18/51/10/952185110.db2.gz YERGBGZBQFJZOG-QMMMGPOBSA-N 0 1 386.445 0.380 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCn1ccccc1=O ZINC001575145820 952188211 /nfs/dbraw/zinc/18/82/11/952188211.db2.gz CZRCYJHGVKIWTM-CYBMUJFWSA-N 0 1 382.428 0.194 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc(Cl)n1C ZINC001575145839 952188479 /nfs/dbraw/zinc/18/84/79/952188479.db2.gz DKDCAOPGKKHKTF-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn2cccnc12 ZINC001575145848 952188798 /nfs/dbraw/zinc/18/87/98/952188798.db2.gz DLXIFVZSMOSPQD-LLVKDONJSA-N 0 1 378.400 0.299 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccc(C(N)=O)cc1 ZINC001575145994 952190363 /nfs/dbraw/zinc/19/03/63/952190363.db2.gz FJIMHKVYYQPONH-LLVKDONJSA-N 0 1 380.412 0.355 20 0 GCADMN CC(C)n1ccc(CC(=O)N(C)[C@@H](C)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001575146043 952191132 /nfs/dbraw/zinc/19/11/32/952191132.db2.gz GSNRDIFBKTWDRO-ZDUSSCGKSA-N 0 1 383.460 0.963 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cncnc1C1CC1 ZINC001575146467 952194185 /nfs/dbraw/zinc/19/41/85/952194185.db2.gz LJUWFPLBSQNLLO-NSHDSACASA-N 0 1 379.428 0.924 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCOC[C@H]1CCCO1 ZINC001575146592 952195650 /nfs/dbraw/zinc/19/56/50/952195650.db2.gz LWPGNVKYEURTHY-UONOGXRCSA-N 0 1 389.460 0.528 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc(C2CC2)nc1 ZINC001575146664 952196633 /nfs/dbraw/zinc/19/66/33/952196633.db2.gz NEBWOUWXJACQOC-LLVKDONJSA-N 0 1 379.428 0.924 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc2n1CCCC2 ZINC001575147128 952199170 /nfs/dbraw/zinc/19/91/70/952199170.db2.gz QTUSHYWPCZFXJF-GFCCVEGCSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1snnc1C1CC1 ZINC001575147763 952200846 /nfs/dbraw/zinc/20/08/46/952200846.db2.gz VYCOOKTTXMCUBC-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cccc(C(N)=O)c1 ZINC001575147864 952201071 /nfs/dbraw/zinc/20/10/71/952201071.db2.gz WRFZZEILTDEYNL-LLVKDONJSA-N 0 1 380.412 0.355 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575147737 952201202 /nfs/dbraw/zinc/20/12/02/952201202.db2.gz VEUFBWVOWSEYFS-LBPRGKRZSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1nn(C)cc1Cl ZINC001575148127 952202419 /nfs/dbraw/zinc/20/24/19/952202419.db2.gz XPQYJTRFZQPFIQ-SECBINFHSA-N 0 1 375.824 0.643 20 0 GCADMN C[C@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575155140 952235249 /nfs/dbraw/zinc/23/52/49/952235249.db2.gz WPOIYJACAIMQCB-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001575155140 952235251 /nfs/dbraw/zinc/23/52/51/952235251.db2.gz WPOIYJACAIMQCB-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1ncn(C)n1 ZINC001575164113 952287207 /nfs/dbraw/zinc/28/72/07/952287207.db2.gz BQPNYBZOPWFEGP-LURJTMIESA-N 0 1 382.841 0.678 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnn(C)n1 ZINC001575165651 952311255 /nfs/dbraw/zinc/31/12/55/952311255.db2.gz QISKPXYYZWKKJN-LURJTMIESA-N 0 1 382.841 0.678 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@H]1COCCO1 ZINC001575166269 952323162 /nfs/dbraw/zinc/32/31/62/952323162.db2.gz UGQJNNSLZZAECN-YUMQZZPRSA-N 0 1 387.853 0.651 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1nnn(C)n1 ZINC001575166729 952328058 /nfs/dbraw/zinc/32/80/58/952328058.db2.gz XZGDTMJGBUQPLO-YFKPBYRVSA-N 0 1 383.829 0.073 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1nnn(C)n1 ZINC001575166728 952328417 /nfs/dbraw/zinc/32/84/17/952328417.db2.gz XZGDTMJGBUQPLO-RXMQYKEDSA-N 0 1 383.829 0.073 20 0 GCADMN C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@@H]1CCC(=O)N1 ZINC001575166787 952329635 /nfs/dbraw/zinc/32/96/35/952329635.db2.gz ZDEPPULRXACGDP-RQJHMYQMSA-N 0 1 384.853 0.514 20 0 GCADMN C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575173922 952359303 /nfs/dbraw/zinc/35/93/03/952359303.db2.gz CWXKTBWNXZGKLQ-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575173922 952359310 /nfs/dbraw/zinc/35/93/10/952359310.db2.gz CWXKTBWNXZGKLQ-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001575173922 952359318 /nfs/dbraw/zinc/35/93/18/952359318.db2.gz CWXKTBWNXZGKLQ-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001575173922 952359326 /nfs/dbraw/zinc/35/93/26/952359326.db2.gz CWXKTBWNXZGKLQ-GFCCVEGCSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CNc1nccnc1-c1nnn[n-]1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575179621 952412942 /nfs/dbraw/zinc/41/29/42/952412942.db2.gz QHSLBYWRMIFGFA-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CNc1nccnc1-c1nn[n-]n1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575179621 952412947 /nfs/dbraw/zinc/41/29/47/952412947.db2.gz QHSLBYWRMIFGFA-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)NCc1nnc([C@H]2CCOC2)[nH]1 ZINC001575187623 952442252 /nfs/dbraw/zinc/44/22/52/952442252.db2.gz DLLLZZQSUVMFIO-RISCZKNCSA-N 0 1 382.428 0.984 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001575191635 952468504 /nfs/dbraw/zinc/46/85/04/952468504.db2.gz YCFVOFMELXTZPV-OLZOCXBDSA-N 0 1 385.428 0.387 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575196664 952476579 /nfs/dbraw/zinc/47/65/79/952476579.db2.gz IHNAJRUJMLMOLK-OLZOCXBDSA-N 0 1 382.428 0.953 20 0 GCADMN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571117188 952480617 /nfs/dbraw/zinc/48/06/17/952480617.db2.gz IDJBQTCQRMBYLL-ZYHUDNBSSA-N 0 1 375.458 0.240 20 0 GCADMN CN1C(=O)CC[C@@H]1C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571117188 952480624 /nfs/dbraw/zinc/48/06/24/952480624.db2.gz IDJBQTCQRMBYLL-ZYHUDNBSSA-N 0 1 375.458 0.240 20 0 GCADMN C[C@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575197297 952481830 /nfs/dbraw/zinc/48/18/30/952481830.db2.gz SHDYDCUJWILLAY-CHWSQXEVSA-N 0 1 382.428 0.953 20 0 GCADMN C[C@@H](Cc1ccco1)C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575197298 952482162 /nfs/dbraw/zinc/48/21/62/952482162.db2.gz SHDYDCUJWILLAY-QWHCGFSZSA-N 0 1 382.428 0.953 20 0 GCADMN CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)Nc1ccc(-c2nn[nH]n2)nn1 ZINC001575199286 952487932 /nfs/dbraw/zinc/48/79/32/952487932.db2.gz BKFZOYVNDKCVFO-SMDDNHRTSA-N 0 1 384.448 0.811 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NCC1(Nc2cnc(-c3nn[nH]n3)cn2)CCC1 ZINC001575200081 952492116 /nfs/dbraw/zinc/49/21/16/952492116.db2.gz HRCYKEHUKPMCOX-NSHDSACASA-N 0 1 382.432 0.709 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN(c2ccc(-c3nn[nH]n3)nn2)C1 ZINC001575200042 952492975 /nfs/dbraw/zinc/49/29/75/952492975.db2.gz GZWMLWIAQIEFGL-NWDGAFQWSA-N 0 1 382.432 0.201 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC001575200252 952494287 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0.609 20 0 GCADMN CCc1ccc(CC(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)nc1 ZINC001571148269 952666470 /nfs/dbraw/zinc/66/64/70/952666470.db2.gz XLPHJYCURAROIP-CQSZACIVSA-N 0 1 379.428 0.292 20 0 GCADMN O=C(c1cnn2c1CCC2)N1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571151802 952678807 /nfs/dbraw/zinc/67/88/07/952678807.db2.gz XQLPTTHVCOSKIS-LBPRGKRZSA-N 0 1 379.428 0.401 20 0 GCADMN COCc1ccccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571154832 952690375 /nfs/dbraw/zinc/69/03/75/952690375.db2.gz BYYAOJKABQLELM-CYBMUJFWSA-N 0 1 380.412 0.552 20 0 GCADMN O=C(Cc1ccc(F)cc1)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571155287 952694874 /nfs/dbraw/zinc/69/48/74/952694874.db2.gz MYUXGQZNZDMWRE-KBPBESRZSA-N 0 1 380.387 0.828 20 0 GCADMN Cc1cc(C(=O)N2CC[C@@H](CCNc3ccncc3-c3nn[nH]n3)C2)ncn1 ZINC001571156080 952700582 /nfs/dbraw/zinc/70/05/82/952700582.db2.gz CCLAEDFVKLQLGN-CYBMUJFWSA-N 0 1 379.428 0.746 20 0 GCADMN Cc1cnccc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571156057 952700759 /nfs/dbraw/zinc/70/07/59/952700759.db2.gz BVUGCAJMKTZWNL-TZMCWYRMSA-N 0 1 379.428 0.745 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)ncn1 ZINC001571156741 952704412 /nfs/dbraw/zinc/70/44/12/952704412.db2.gz IPEIUYBQIZNSKD-CHWSQXEVSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cc(N2CC[C@@H]3CN(C(=O)c4cn[nH]c4)C[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156854 952706246 /nfs/dbraw/zinc/70/62/46/952706246.db2.gz LMCSPXKGMNZUSR-OCCSQVGLSA-N 0 1 379.428 0.892 20 0 GCADMN COc1ccc(C(=O)N2CCC[C@@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001571158202 952709847 /nfs/dbraw/zinc/70/98/47/952709847.db2.gz DSWSPPPQINQPRP-CYBMUJFWSA-N 0 1 380.412 0.804 20 0 GCADMN COc1ccnc(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571158710 952713627 /nfs/dbraw/zinc/71/36/27/952713627.db2.gz NDWZALQEIFLYHQ-GFCCVEGCSA-N 0 1 380.412 0.804 20 0 GCADMN Cc1cnc(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)cn1 ZINC001571158865 952714215 /nfs/dbraw/zinc/71/42/15/952714215.db2.gz SQYSAWAROZQORG-GXTWGEPZSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cnc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)cn1 ZINC001571158866 952714298 /nfs/dbraw/zinc/71/42/98/952714298.db2.gz SQYSAWAROZQORG-JSGCOSHPSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1cc(NC[C@@]2(C)CCN(C(=O)c3cnccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158843 952714521 /nfs/dbraw/zinc/71/45/21/952714521.db2.gz SDSFHCWITRWWPC-GOSISDBHSA-N 0 1 379.428 0.746 20 0 GCADMN Cc1cc(N[C@@H]2CCN(C(=O)c3cncnc3)[C@@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158908 952715625 /nfs/dbraw/zinc/71/56/25/952715625.db2.gz UDWQDCNVQBUUEQ-GXTWGEPZSA-N 0 1 379.428 0.887 20 0 GCADMN Cc1ccnc(C(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C(C)(C)C2)n1 ZINC001571158915 952716316 /nfs/dbraw/zinc/71/63/16/952716316.db2.gz UFAYGUYDODHENF-CQSZACIVSA-N 0 1 379.428 0.745 20 0 GCADMN COc1cccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1 ZINC001571159364 952717958 /nfs/dbraw/zinc/71/79/58/952717958.db2.gz VLUIMOBTHDXTIT-YPMHNXCESA-N 0 1 380.412 0.802 20 0 GCADMN Cc1cc(=O)c(C(=O)NC[C@@H]2CCN(c3ccncc3-c3nn[nH]n3)C2)c[nH]1 ZINC001571159532 952719975 /nfs/dbraw/zinc/71/99/75/952719975.db2.gz XKEIGWAXCBAOLJ-LBPRGKRZSA-N 0 1 380.412 0.515 20 0 GCADMN Cc1ccncc1C(=O)N[C@@H]1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571159627 952720657 /nfs/dbraw/zinc/72/06/57/952720657.db2.gz VELSMILZCSQLDO-QWHCGFSZSA-N 0 1 379.428 0.793 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)c1cccnn1 ZINC001571160356 952726282 /nfs/dbraw/zinc/72/62/82/952726282.db2.gz HQBSBBWLDLJZDW-ZBFHGGJFSA-N 0 1 380.412 0.022 20 0 GCADMN O=C(Cc1ccoc1)N1CC[C@H]2[C@@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571160783 952728151 /nfs/dbraw/zinc/72/81/51/952728151.db2.gz LZUWURGWWOXTER-KBPBESRZSA-N 0 1 380.412 0.920 20 0 GCADMN O=C(Cc1ccon1)N[C@H]1CC12CCN(c1ccncc1-c1nn[nH]n1)CC2 ZINC001571161393 952731639 /nfs/dbraw/zinc/73/16/39/952731639.db2.gz UOSLVPQPYPSGCI-HNNXBMFYSA-N 0 1 380.412 0.968 20 0 GCADMN CCn1nncc1C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571161877 952735584 /nfs/dbraw/zinc/73/55/84/952735584.db2.gz DBMYHLYWKAWZCJ-TXEJJXNPSA-N 0 1 380.416 0.082 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)cnn1 ZINC001571162311 952741717 /nfs/dbraw/zinc/74/17/17/952741717.db2.gz PZGQROGLDBHLEM-ZDUSSCGKSA-N 0 1 380.416 0.496 20 0 GCADMN Cc1ccc(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)nn1 ZINC001571162367 952743130 /nfs/dbraw/zinc/74/31/30/952743130.db2.gz RXRQSLPAQFNNBS-UHFFFAOYSA-N 0 1 380.416 0.141 20 0 GCADMN C[C@H](C(=O)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1)n1cncn1 ZINC001571162717 952746344 /nfs/dbraw/zinc/74/63/44/952746344.db2.gz YIMPAGAPUULMRN-UPJWGTAASA-N 0 1 380.416 0.009 20 0 GCADMN Cn1cnc(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)c1 ZINC001571165014 952746862 /nfs/dbraw/zinc/74/68/62/952746862.db2.gz AWYVMJNPUVGXMW-QGZVFWFLSA-N 0 1 380.416 0.133 20 0 GCADMN Nc1nccnc1C(=O)N1CCCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571165221 952748692 /nfs/dbraw/zinc/74/86/92/952748692.db2.gz GMFGZZXGJYOHTN-LLVKDONJSA-N 0 1 380.416 0.163 20 0 GCADMN Cc1ncncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571165778 952755189 /nfs/dbraw/zinc/75/51/89/952755189.db2.gz KEDHYIMBUIIIJZ-YPMHNXCESA-N 0 1 380.416 0.542 20 0 GCADMN Cc1nc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)[nH]1 ZINC001571166107 952758803 /nfs/dbraw/zinc/75/88/03/952758803.db2.gz NXDRABVUDWQOCJ-WOPDTQHZSA-N 0 1 380.416 0.536 20 0 GCADMN O=C(N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCc2n[nH]cc21 ZINC001571166481 952762042 /nfs/dbraw/zinc/76/20/42/952762042.db2.gz SHWWPIJRZMECKX-QWRGUYRKSA-N 0 1 380.416 0.195 20 0 GCADMN O=C(c1cnn(C2CCC2)c1)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571166691 952763862 /nfs/dbraw/zinc/76/38/62/952763862.db2.gz OGSXOVFCJJEXQW-GFCCVEGCSA-N 0 1 380.416 0.327 20 0 GCADMN C[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571170792 952788741 /nfs/dbraw/zinc/78/87/41/952788741.db2.gz LPCPBVCRWWEOGA-JQWIXIFHSA-N 0 1 381.400 0.545 20 0 GCADMN NC(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccccc3-c3nn[nH]n3)C2)co1 ZINC001571171072 952790673 /nfs/dbraw/zinc/79/06/73/952790673.db2.gz NHVJFWKNHDSXAY-ZDUSSCGKSA-N 0 1 381.396 0.563 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1coc(C2CC2)n1 ZINC001571172004 952800444 /nfs/dbraw/zinc/80/04/44/952800444.db2.gz ZZZKCPAJHPDKII-ONGXEEELSA-N 0 1 381.400 0.659 20 0 GCADMN COc1cnc(C(=O)N2C[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nc1 ZINC001571174728 952812286 /nfs/dbraw/zinc/81/22/86/952812286.db2.gz GOQANQFDECBLBH-GHMZBOCLSA-N 0 1 381.400 0.197 20 0 GCADMN Cc1cc(N2CC[C@@H]3[C@H]2CCCN3C(=O)c2cnon2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174768 952814153 /nfs/dbraw/zinc/81/41/53/952814153.db2.gz HSCRENLHHLOKFK-ZIAGYGMSSA-N 0 1 381.400 0.837 20 0 GCADMN Cc1cc(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[nH]n3)n2)no1 ZINC001571174756 952814509 /nfs/dbraw/zinc/81/45/09/952814509.db2.gz HJYYJEDRXDBUMH-AGIUHOORSA-N 0 1 381.400 0.422 20 0 GCADMN Cc1nocc1C(=O)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571175362 952820812 /nfs/dbraw/zinc/82/08/12/952820812.db2.gz BGDKFEMDGNIYKT-VXGBXAGGSA-N 0 1 381.400 0.528 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cc(C3CC3)on2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571175575 952821920 /nfs/dbraw/zinc/82/19/20/952821920.db2.gz VLIICTUSGFFGJB-KOLCDFICSA-N 0 1 381.400 0.919 20 0 GCADMN Cc1nc(C(=O)N2CC[C@@]3(CCN(c4ccnc(-c5nn[nH]n5)n4)C3)C2)co1 ZINC001571175670 952824245 /nfs/dbraw/zinc/82/42/45/952824245.db2.gz DQKDTSPTMLIOJO-QGZVFWFLSA-N 0 1 381.400 0.696 20 0 GCADMN Cc1nocc1C(=O)N[C@@]12CCC[C@@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571175905 952826616 /nfs/dbraw/zinc/82/66/16/952826616.db2.gz HJQOISPPCVGXKF-YVEFUNNKSA-N 0 1 381.400 0.885 20 0 GCADMN Cc1cc(NC[C@H]2CCCN2C(=O)c2ccc(=O)[nH]n2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175775 952826641 /nfs/dbraw/zinc/82/66/41/952826641.db2.gz ZINCCBOJNNXYLD-LLVKDONJSA-N 0 1 381.400 0.204 20 0 GCADMN Cc1nonc1C(=O)N1CC[C@]2(CCN(c3ccncc3-c3nn[nH]n3)C2)C1 ZINC001571176357 952830334 /nfs/dbraw/zinc/83/03/34/952830334.db2.gz QKGJIHUQXFJOGJ-KRWDZBQOSA-N 0 1 381.400 0.696 20 0 GCADMN O=C(Cc1cnoc1)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571176336 952830706 /nfs/dbraw/zinc/83/07/06/952830706.db2.gz PUBIWPVPXSBKAF-RYUDHWBXSA-N 0 1 381.400 0.149 20 0 GCADMN O=C(N[C@@H]1CC12CCN(C(=O)c1ccn[nH]1)CC2)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571176577 952833810 /nfs/dbraw/zinc/83/38/10/952833810.db2.gz VDQZZZFVOCVPFF-CYBMUJFWSA-N 0 1 381.400 0.343 20 0 GCADMN O=C(c1ccon1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571178671 952844745 /nfs/dbraw/zinc/84/47/45/952844745.db2.gz QRMVIMREEMIDSS-DGCLKSJQSA-N 0 1 381.400 0.776 20 0 GCADMN O=C(c1cnco1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@H]21 ZINC001571178932 952850270 /nfs/dbraw/zinc/85/02/70/952850270.db2.gz YLLXQRSRJBMXFK-VXGBXAGGSA-N 0 1 381.400 0.776 20 0 GCADMN O=C(c1cnco1)N1CCC[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)CC[C@@H]21 ZINC001571178929 952850924 /nfs/dbraw/zinc/85/09/24/952850924.db2.gz YLLXQRSRJBMXFK-NEPJUHHUSA-N 0 1 381.400 0.776 20 0 GCADMN Cc1cc(N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@]23C[C@H]2COC3)c(-c2nnn[n-]2)c[nH+]1 ZINC001571179385 952851829 /nfs/dbraw/zinc/85/18/29/952851829.db2.gz CKLYCBGXGCWQKP-PJHJGJPPSA-N 0 1 381.440 0.786 20 0 GCADMN CC(C)Cc1c[nH]c(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571181912 952865697 /nfs/dbraw/zinc/86/56/97/952865697.db2.gz ZRXGEGJKLCZPBH-JOCQHMNTSA-N 0 1 381.444 0.978 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cnnn2C)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571183471 952878290 /nfs/dbraw/zinc/87/82/90/952878290.db2.gz BDVDZWKKLPTBDD-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2cnnn2C)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571183470 952879071 /nfs/dbraw/zinc/87/90/71/952879071.db2.gz BDVDZWKKLPTBDD-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN CCc1c(C(=O)NC[C@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571183533 952879467 /nfs/dbraw/zinc/87/94/67/952879467.db2.gz CWFBFFQIHCASLC-TXEJJXNPSA-N 0 1 381.444 0.600 20 0 GCADMN C[C@@H]1CC[C@@H](NC(=O)c2cnnn2C)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571183569 952880014 /nfs/dbraw/zinc/88/00/14/952880014.db2.gz DVHPBBBBCIOKQX-IUODEOHRSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC001571183862 952884637 /nfs/dbraw/zinc/88/46/37/952884637.db2.gz LEOUOCAWVYNMKO-LBPRGKRZSA-N 0 1 381.444 0.688 20 0 GCADMN CC[C@@H]1CN(C(=O)c2cn(C)cn2)CC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571184045 952887363 /nfs/dbraw/zinc/88/73/63/952887363.db2.gz PCKATGQSGQOBOI-TZMCWYRMSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC001571184067 952887553 /nfs/dbraw/zinc/88/75/53/952887553.db2.gz PPVBGIWBWZKNJB-OLZOCXBDSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H](NC(=O)c1cnn(C)c1N)C1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571184184 952889620 /nfs/dbraw/zinc/88/96/20/952889620.db2.gz SUDGIKIRQGJKGC-NSHDSACASA-N 0 1 381.444 0.433 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@H]1CCCCN1C(=O)c1cnn(C)c1 ZINC001571184358 952892126 /nfs/dbraw/zinc/89/21/26/952892126.db2.gz XMVXZWDUQXFPBS-BLLLJJGKSA-N 0 1 381.444 0.912 20 0 GCADMN CCn1ccnc1C(=O)N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571184798 952896797 /nfs/dbraw/zinc/89/67/97/952896797.db2.gz DDNRSDLMVTUXQL-OLZOCXBDSA-N 0 1 381.444 0.911 20 0 GCADMN CCn1cccc1C(=O)N1CCC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571185277 952901007 /nfs/dbraw/zinc/90/10/07/952901007.db2.gz KIYPQGMHWOUZFO-CYBMUJFWSA-N 0 1 381.444 0.864 20 0 GCADMN CCn1ncc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)n1 ZINC001571185578 952902087 /nfs/dbraw/zinc/90/20/87/952902087.db2.gz NKHPXMHJLCMHPS-DOMZBBRYSA-N 0 1 381.444 0.871 20 0 GCADMN CCn1cc(C(=O)NC2CC(CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cn1 ZINC001571186345 952906569 /nfs/dbraw/zinc/90/65/69/952906569.db2.gz XCNOZRSFYIJNSC-UHFFFAOYSA-N 0 1 381.444 0.829 20 0 GCADMN CN(C[C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571186610 952907721 /nfs/dbraw/zinc/90/77/21/952907721.db2.gz YLZOOOJALNKEFC-AWEZNQCLSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1c[nH]cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001571186661 952908682 /nfs/dbraw/zinc/90/86/82/952908682.db2.gz ZJECGZACLLMEQM-STQMWFEESA-N 0 1 381.444 0.925 20 0 GCADMN Cc1cnc(CNC[C@H]2CCCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nc1 ZINC001571187651 952909221 /nfs/dbraw/zinc/90/92/21/952909221.db2.gz AHYDWLLURMSQCT-CYBMUJFWSA-N 0 1 381.444 0.935 20 0 GCADMN Cc1nn(C)cc1CC(=O)N[C@@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571187894 952909729 /nfs/dbraw/zinc/90/97/29/952909729.db2.gz CNAWKJRLEJOIOJ-CQSZACIVSA-N 0 1 381.444 0.550 20 0 GCADMN Cc1cc(NC[C@H]2CCCN2C(=O)CCc2cn[nH]c2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187741 952910409 /nfs/dbraw/zinc/91/04/09/952910409.db2.gz BKQVTWCJGHCCGS-CQSZACIVSA-N 0 1 381.444 0.751 20 0 GCADMN Cc1cc(NC[C@@]2(C)CCN(C(=O)c3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187988 952911377 /nfs/dbraw/zinc/91/13/77/952911377.db2.gz FDZPMSNYLODWQF-GOSISDBHSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571187978 952911672 /nfs/dbraw/zinc/91/16/72/952911672.db2.gz DZRHKFAFSJEHHL-ZDUSSCGKSA-N 0 1 381.444 0.669 20 0 GCADMN C[C@H](CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)S(C)(=O)=O ZINC001571188491 952915841 /nfs/dbraw/zinc/91/58/41/952915841.db2.gz BUWSYIRUMDZKTG-SNVBAGLBSA-N 0 1 381.462 0.287 20 0 GCADMN Cc1cc(N[C@H]2CCC[C@H](NC(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188574 952916739 /nfs/dbraw/zinc/91/67/39/952916739.db2.gz LIJZVMXHENEQLR-KBPBESRZSA-N 0 1 381.444 0.728 20 0 GCADMN Cn1nncc1C(=O)NC[C@@H]1CCCCN1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571188782 952919348 /nfs/dbraw/zinc/91/93/48/952919348.db2.gz JEGNHVMWPQEQSX-HNNXBMFYSA-N 0 1 381.444 0.780 20 0 GCADMN Cn1cncc1CC(=O)N[C@H]1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571188985 952922765 /nfs/dbraw/zinc/92/27/65/952922765.db2.gz LECBHLQERHGVON-WFASDCNBSA-N 0 1 381.444 0.357 20 0 GCADMN Cc1cc(C(=O)N[C@@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C)n(C)n1 ZINC001571189077 952923971 /nfs/dbraw/zinc/92/39/71/952923971.db2.gz RQNMCSYNAXMMEB-QMTHXVAHSA-N 0 1 381.444 0.867 20 0 GCADMN Cc1cc(NC[C@@H]2CN(C(=O)c3cn(C)cn3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189094 952924098 /nfs/dbraw/zinc/92/40/98/952924098.db2.gz RVWKEXPRFSEADG-DGCLKSJQSA-N 0 1 381.444 0.546 20 0 GCADMN Cn1nccc1CN1CC[C@@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@H]12 ZINC001571189151 952924860 /nfs/dbraw/zinc/92/48/60/952924860.db2.gz NFANYRLPRBJOLI-YJBOKZPZSA-N 0 1 381.444 0.855 20 0 GCADMN Cc1cnn(CC(=O)N[C@@H]2CCCN(c3ccncc3-c3nn[nH]n3)CC2)c1 ZINC001571189240 952927080 /nfs/dbraw/zinc/92/70/80/952927080.db2.gz TXCJTMPDZPFCDW-CQSZACIVSA-N 0 1 381.444 0.942 20 0 GCADMN Cn1nccc1CN1CC[C@@]2(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)CCC[C@@H]12 ZINC001571189405 952929484 /nfs/dbraw/zinc/92/94/84/952929484.db2.gz QZHPFYDTCNCTEV-QAPCUYQASA-N 0 1 381.444 0.855 20 0 GCADMN O=C(NCCn1cnc(-c2nn[nH]n2)n1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001571194008 952955730 /nfs/dbraw/zinc/95/57/30/952955730.db2.gz DVVGCBIGEWBSQL-JTQLQIEISA-N 0 1 382.306 0.327 20 0 GCADMN O=C(N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1(C(F)(F)F)CC1 ZINC001571194290 952960612 /nfs/dbraw/zinc/96/06/12/952960612.db2.gz JRLRKXBOGIXWPV-SECBINFHSA-N 0 1 382.350 0.682 20 0 GCADMN C[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)Cc1ccc(F)cc1 ZINC001571197310 952988092 /nfs/dbraw/zinc/98/80/92/952988092.db2.gz VXNGXTWIWDOVLN-SMDDNHRTSA-N 0 1 382.403 0.862 20 0 GCADMN C[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CN1C(=O)Cc1ccc(F)cc1 ZINC001571197308 952988529 /nfs/dbraw/zinc/98/85/29/952988529.db2.gz VXNGXTWIWDOVLN-FZMZJTMJSA-N 0 1 382.403 0.862 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1CN1CC[C@H](NC(=O)c2cn[nH]c2)[C@H]1C ZINC001571198750 952992335 /nfs/dbraw/zinc/99/23/35/952992335.db2.gz FPDXJHRWRZNJRS-ABAIWWIYSA-N 0 1 382.428 0.991 20 0 GCADMN CCOc1cccc(CN[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n1 ZINC001571198727 952992695 /nfs/dbraw/zinc/99/26/95/952992695.db2.gz DZDDFPWBZYFZLG-AWEZNQCLSA-N 0 1 382.428 0.993 20 0 GCADMN C[C@@H]1CN(C(=O)Cc2ccco2)CC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571202515 953026544 /nfs/dbraw/zinc/02/65/44/953026544.db2.gz ZSJSVYFKKBBNJS-CHWSQXEVSA-N 0 1 382.428 0.811 20 0 GCADMN CCc1cc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)[nH]n1 ZINC001571204611 953031172 /nfs/dbraw/zinc/03/11/72/953031172.db2.gz BMYUQNYWAIRHNQ-PWSUYJOCSA-N 0 1 382.432 0.730 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001571204596 953031321 /nfs/dbraw/zinc/03/13/21/953031321.db2.gz BKZWZHZKXWZTBE-QWHCGFSZSA-N 0 1 382.432 0.187 20 0 GCADMN Cc1ncc(CC(=O)N2CCC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571205083 953035099 /nfs/dbraw/zinc/03/50/99/953035099.db2.gz GGKYNFUEPBKCSX-ZDUSSCGKSA-N 0 1 382.428 0.873 20 0 GCADMN CCc1cc(C(=O)N2CCN(c3cc(-c4nn[nH]n4)nc(CC)n3)CC2)n[nH]1 ZINC001571205178 953035763 /nfs/dbraw/zinc/03/57/63/953035763.db2.gz GWRNQANWHXCIDZ-UHFFFAOYSA-N 0 1 382.432 0.467 20 0 GCADMN C[C@H](NC(=O)c1ncn(C)n1)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001571205190 953036163 /nfs/dbraw/zinc/03/61/63/953036163.db2.gz HCXMBIYJZZVETK-RYUDHWBXSA-N 0 1 382.432 0.425 20 0 GCADMN CCCn1nccc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571205448 953037892 /nfs/dbraw/zinc/03/78/92/953037892.db2.gz JDMZMKOBLOUBCN-NEPJUHHUSA-N 0 1 382.432 0.400 20 0 GCADMN CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571205376 953038168 /nfs/dbraw/zinc/03/81/68/953038168.db2.gz IKZUWYSSKYJRSF-SNVBAGLBSA-N 0 1 382.432 0.686 20 0 GCADMN CCc1cc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n(C)n1 ZINC001571205439 953038440 /nfs/dbraw/zinc/03/84/40/953038440.db2.gz ITLHGPHNEIXIPH-LBPRGKRZSA-N 0 1 382.432 0.091 20 0 GCADMN CCc1cc(C(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571205624 953040473 /nfs/dbraw/zinc/04/04/73/953040473.db2.gz LSOWORXKEOTURX-LBPRGKRZSA-N 0 1 382.432 0.471 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001571205656 953040692 /nfs/dbraw/zinc/04/06/92/953040692.db2.gz MOEGBGWBRVCVJS-NWDGAFQWSA-N 0 1 382.432 0.165 20 0 GCADMN CCC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)c2cnnn2C)CC1 ZINC001571205698 953041560 /nfs/dbraw/zinc/04/15/60/953041560.db2.gz NAIRVFFOFMSTDV-UHFFFAOYSA-N 0 1 382.432 0.309 20 0 GCADMN CC[C@H]1CN(C(=O)c2c[nH]c(C)n2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571206177 953048350 /nfs/dbraw/zinc/04/83/50/953048350.db2.gz RZWIXEFHTZQION-RYUDHWBXSA-N 0 1 382.432 0.463 20 0 GCADMN Cc1ncccc1C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571206374 953050156 /nfs/dbraw/zinc/05/01/56/953050156.db2.gz PBPJFPJMXQJWKZ-GDBMZVCRSA-N 0 1 382.428 0.263 20 0 GCADMN Cc1ncccc1CN1CC[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)[C@H](O)C1 ZINC001571206374 953050158 /nfs/dbraw/zinc/05/01/58/953050158.db2.gz PBPJFPJMXQJWKZ-GDBMZVCRSA-N 0 1 382.428 0.263 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571206327 953050404 /nfs/dbraw/zinc/05/04/04/953050404.db2.gz TYQBGYGOIUDZDO-NWDGAFQWSA-N 0 1 382.432 0.662 20 0 GCADMN CCc1cc(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571206673 953054251 /nfs/dbraw/zinc/05/42/51/953054251.db2.gz WBNIXADYHPNEKW-CMPLNLGQSA-N 0 1 382.432 0.375 20 0 GCADMN CCn1ccnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571207237 953061318 /nfs/dbraw/zinc/06/13/18/953061318.db2.gz OUHSBNZFIRMBSO-VXGBXAGGSA-N 0 1 382.432 0.660 20 0 GCADMN Cc1c(C(=O)N[C@H]2CC[C@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)cnn1C ZINC001571207312 953061892 /nfs/dbraw/zinc/06/18/92/953061892.db2.gz QIPVPHOWJXNOCF-JQWIXIFHSA-N 0 1 382.432 0.486 20 0 GCADMN CN(c1ncccc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)CCc2nc[nH]n2)C1 ZINC001571207316 953062162 /nfs/dbraw/zinc/06/21/62/953062162.db2.gz QLNHEZFCSJLFMQ-LBPRGKRZSA-N 0 1 382.432 0.440 20 0 GCADMN Cc1c(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cnn1C(C)C ZINC001571207501 953063854 /nfs/dbraw/zinc/06/38/54/953063854.db2.gz UZODESWKHOWEPP-LBPRGKRZSA-N 0 1 382.432 0.751 20 0 GCADMN O=C(CCc1c[nH]nn1)N1CCC(CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571209929 953068692 /nfs/dbraw/zinc/06/86/92/953068692.db2.gz IZNLGYAUESBMAP-UHFFFAOYSA-N 0 1 382.432 0.663 20 0 GCADMN O=C(CCc1cnn[nH]1)N1CCC(CNc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001571209929 953068694 /nfs/dbraw/zinc/06/86/94/953068694.db2.gz IZNLGYAUESBMAP-UHFFFAOYSA-N 0 1 382.432 0.663 20 0 GCADMN Cn1nncc1C(=O)N1CCC[C@H](CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001571209905 953069086 /nfs/dbraw/zinc/06/90/86/953069086.db2.gz IGOOJLMSLTUTDJ-GFCCVEGCSA-N 0 1 382.432 0.167 20 0 GCADMN O=C(Cn1cccn1)N1CCC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571210010 953069583 /nfs/dbraw/zinc/06/95/83/953069583.db2.gz LREIEISRTMHYGF-ZDUSSCGKSA-N 0 1 382.432 0.016 20 0 GCADMN Cc1cc(N(C)C[C@H]2CCCN2C(=O)Cn2cncn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211439 953076017 /nfs/dbraw/zinc/07/60/17/953076017.db2.gz ASBWBOCBFQZIMP-CYBMUJFWSA-N 0 1 382.432 0.289 20 0 GCADMN Cc1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[nH]n3)[C@@H](C)C2)n[nH]1 ZINC001571211609 953078340 /nfs/dbraw/zinc/07/83/40/953078340.db2.gz CCGNGEFACHOFTR-JQWIXIFHSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1n[nH]c(C)c1CC(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571211639 953079680 /nfs/dbraw/zinc/07/96/80/953079680.db2.gz DIFLQQJCIXSSPW-LBPRGKRZSA-N 0 1 382.432 0.276 20 0 GCADMN Cc1nc(C(=O)N2CC[C@H](C)[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)c[nH]1 ZINC001571211892 953082423 /nfs/dbraw/zinc/08/24/23/953082423.db2.gz IICRXOUIBICIPD-JQWIXIFHSA-N 0 1 382.432 0.320 20 0 GCADMN CN1CCC[C@@H]1C(=O)N[C@@H]1CC12CCN(c1ccc(-c3nn[nH]n3)cn1)CC2 ZINC001571212095 953083934 /nfs/dbraw/zinc/08/39/34/953083934.db2.gz IRAYYMXQHZBQRD-HUUCEWRRSA-N 0 1 382.472 0.831 20 0 GCADMN Cc1ncn(C)c1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571212118 953084052 /nfs/dbraw/zinc/08/40/52/953084052.db2.gz JCVGGEACEYRLIU-VXGBXAGGSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1ncn(C)c1C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1C ZINC001571213081 953092164 /nfs/dbraw/zinc/09/21/64/953092164.db2.gz QNTFBWOFPNNTHH-ZYHUDNBSSA-N 0 1 382.432 0.201 20 0 GCADMN Cn1cc(C(=O)N2CCCCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571213189 953093454 /nfs/dbraw/zinc/09/34/54/953093454.db2.gz RRTFLUQAQMUXFZ-ZDUSSCGKSA-N 0 1 382.432 0.309 20 0 GCADMN CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1N(c1ccc(-c3nn[nH]n3)nc1)CC2 ZINC001571213260 953093915 /nfs/dbraw/zinc/09/39/15/953093915.db2.gz QLAHIUAYKZFGIH-MDZRGWNJSA-N 0 1 382.472 0.974 20 0 GCADMN Cc1ccn([C@H](C)CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571213871 953098572 /nfs/dbraw/zinc/09/85/72/953098572.db2.gz YAFOUBNBSRJXJC-OLZOCXBDSA-N 0 1 382.432 0.248 20 0 GCADMN Cc1nc(N2CCC[C@H]([C@H](C)NC(=O)c3cnn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571213896 953098823 /nfs/dbraw/zinc/09/88/23/953098823.db2.gz YFTKFNISYUHAHP-JQWIXIFHSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1C ZINC001571214159 953100364 /nfs/dbraw/zinc/10/03/64/953100364.db2.gz YQINXURBIOUJOH-LBPRGKRZSA-N 0 1 382.432 0.488 20 0 GCADMN Cc1cc(NC[C@@H]2CC[C@H](NC(=O)c3cn(C)nn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214238 953100880 /nfs/dbraw/zinc/10/08/80/953100880.db2.gz ZQWAPWZXTIDGLP-NEPJUHHUSA-N 0 1 382.432 0.131 20 0 GCADMN O=C(N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1)C12CCC[NH+]1CCC2 ZINC001571217269 953106293 /nfs/dbraw/zinc/10/62/93/953106293.db2.gz DHGJYLIAAFLPGC-CQSZACIVSA-N 0 1 382.472 0.975 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571217864 953110977 /nfs/dbraw/zinc/11/09/77/953110977.db2.gz QZCMCIPQFHFFLI-MFKMUULPSA-N 0 1 383.391 0.978 20 0 GCADMN COCc1ccc(C(=O)N2C[C@@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571218617 953117450 /nfs/dbraw/zinc/11/74/50/953117450.db2.gz CIHUVHQABAPNIU-IAQYHMDHSA-N 0 1 383.412 0.996 20 0 GCADMN O=C(c1ccncc1F)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571218919 953120530 /nfs/dbraw/zinc/12/05/30/953120530.db2.gz HBHHFPOBDSVPBK-LLVKDONJSA-N 0 1 383.391 0.577 20 0 GCADMN COc1ccc(CN2CC[C@H](NC(=O)Cc3cnoc3)C2)cc1-c1nn[nH]n1 ZINC001571218979 953121615 /nfs/dbraw/zinc/12/16/15/953121615.db2.gz IPKNTWLQCPIZHA-AWEZNQCLSA-N 0 1 383.412 0.797 20 0 GCADMN O=C(N[C@@H]1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1cncc(F)c1 ZINC001571219173 953123391 /nfs/dbraw/zinc/12/33/91/953123391.db2.gz LBOUGSSENYZZNQ-ZWNOBZJWSA-N 0 1 383.391 0.623 20 0 GCADMN Cc1nn[nH]c1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(-c2nn[nH]n2)cc1F ZINC001571219687 953126489 /nfs/dbraw/zinc/12/64/89/953126489.db2.gz QCWSZORVSLWSPV-STQMWFEESA-N 0 1 383.391 0.531 20 0 GCADMN CCc1cc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)no1 ZINC001571222042 953130453 /nfs/dbraw/zinc/13/04/53/953130453.db2.gz ALBYKGJVPYDTFH-PWSUYJOCSA-N 0 1 383.416 0.592 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001571222071 953130582 /nfs/dbraw/zinc/13/05/82/953130582.db2.gz BEJZHYBSEDOPQL-DGCLKSJQSA-N 0 1 383.416 0.348 20 0 GCADMN Cc1cocc1C(=O)N1CCC[C@](CO)(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571222275 953133223 /nfs/dbraw/zinc/13/32/23/953133223.db2.gz FYIUEJXWLNBCLB-SFHVURJKSA-N 0 1 383.412 0.664 20 0 GCADMN COc1nn(C)cc1C(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571222646 953136508 /nfs/dbraw/zinc/13/65/08/953136508.db2.gz IFUUKMCDDSYFOZ-XYPYZODXSA-N 0 1 383.416 0.046 20 0 GCADMN CCc1nc(C(=O)N2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C)o1 ZINC001571223120 953141186 /nfs/dbraw/zinc/14/11/86/953141186.db2.gz NSKNIIFZAPTEDR-NSHDSACASA-N 0 1 383.416 0.654 20 0 GCADMN CCc1ocnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571223234 953142059 /nfs/dbraw/zinc/14/20/59/953142059.db2.gz QXTHCQUMLDDKBA-GHMZBOCLSA-N 0 1 383.416 0.994 20 0 GCADMN CCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2nocc2C)CC1 ZINC001571223167 953142075 /nfs/dbraw/zinc/14/20/75/953142075.db2.gz OXXXNYXYKBBJNZ-UHFFFAOYSA-N 0 1 383.416 0.872 20 0 GCADMN CCc1nc(C(=O)N[C@H]2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)CC2)co1 ZINC001571223187 953142146 /nfs/dbraw/zinc/14/21/46/953142146.db2.gz PHPWCNNCBCWLEB-XYPYZODXSA-N 0 1 383.416 0.782 20 0 GCADMN CC(C)c1cc(C(=O)N2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001571223503 953144030 /nfs/dbraw/zinc/14/40/30/953144030.db2.gz RRXHQSGBKSHPJI-NSHDSACASA-N 0 1 383.416 0.907 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571223417 953144229 /nfs/dbraw/zinc/14/42/29/953144229.db2.gz QZDWQJZUPRRROL-DGCLKSJQSA-N 0 1 383.416 0.348 20 0 GCADMN Cc1cc(N[C@]2(CO)CCCN(C(=O)c3ccoc3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571223688 953146572 /nfs/dbraw/zinc/14/65/72/953146572.db2.gz SPZIMNAOZZBGNZ-GOSISDBHSA-N 0 1 383.412 0.664 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@@H](NC(=O)C3=NC(=O)N(C)C3)C2)n1 ZINC001571224739 953150804 /nfs/dbraw/zinc/15/08/04/953150804.db2.gz FKFAYHNYOSJFMN-LLVKDONJSA-N 0 1 383.416 0.408 20 0 GCADMN Cc1nc(N[C@@H](C)[C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)ccc1-c1nn[nH]n1 ZINC001571225620 953153538 /nfs/dbraw/zinc/15/35/38/953153538.db2.gz LRUWSTGQEGDTRG-FZMZJTMJSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1nc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2(C)C)co1 ZINC001571225962 953155435 /nfs/dbraw/zinc/15/54/35/953155435.db2.gz PCJZQPCQWCMKMO-GFCCVEGCSA-N 0 1 383.416 0.988 20 0 GCADMN Cc1cc(CC(=O)N[C@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)[nH]n1 ZINC001571226663 953157075 /nfs/dbraw/zinc/15/70/75/953157075.db2.gz VKGURUXSPSMMFJ-GWCFXTLKSA-N 0 1 383.416 0.188 20 0 GCADMN Cc1cc(NC[C@H]2CCCN2C(=O)c2c[nH]c(=O)n2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571226975 953157559 /nfs/dbraw/zinc/15/75/59/953157559.db2.gz YDRJURDUXHYZDX-LLVKDONJSA-N 0 1 383.416 0.148 20 0 GCADMN Cc1ncc(CC(=O)N[C@@H]2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)o1 ZINC001571226982 953157851 /nfs/dbraw/zinc/15/78/51/953157851.db2.gz YGJFXTBPOWYYJQ-VXGBXAGGSA-N 0 1 383.416 0.457 20 0 GCADMN Cc1cnoc1C(=O)N[C@H](C)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571227104 953158333 /nfs/dbraw/zinc/15/83/33/953158333.db2.gz YPKLOYGLPWQGMC-VXGBXAGGSA-N 0 1 383.416 0.988 20 0 GCADMN Cc1ncc(C(=O)N2CCC[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@H]2C)[nH]1 ZINC001571226991 953158340 /nfs/dbraw/zinc/15/83/40/953158340.db2.gz YJERIPJGHVRJBJ-SKDRFNHKSA-N 0 1 383.416 0.649 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571228202 953163071 /nfs/dbraw/zinc/16/30/71/953163071.db2.gz KPKYESWTAYUKPS-GXFFZTMASA-N 0 1 383.416 0.267 20 0 GCADMN CCCn1cc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)nn1 ZINC001571228880 953167440 /nfs/dbraw/zinc/16/74/40/953167440.db2.gz XNEKXECXXBKAPF-LLVKDONJSA-N 0 1 383.420 0.009 20 0 GCADMN Cn1c(C(=O)NC2(C)CCN(c3ccncc3-c3nn[nH]n3)CC2)c[nH]c1=O ZINC001571229033 953168073 /nfs/dbraw/zinc/16/80/73/953168073.db2.gz YTQQLKDULZTCPT-UHFFFAOYSA-N 0 1 383.416 0.490 20 0 GCADMN C[C@@]1(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCNC(=O)C1 ZINC001571231086 953182417 /nfs/dbraw/zinc/18/24/17/953182417.db2.gz RXZMYUZNEYVNST-DNVCBOLYSA-N 0 1 383.456 0.474 20 0 GCADMN CN(C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001571231167 953183569 /nfs/dbraw/zinc/18/35/69/953183569.db2.gz URFDYTAPQNUGTI-HZPDHXFCSA-N 0 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Cc1cc(N2C[C@@H](NC(=O)[C@@H]3CCCC34CC4)[C@@H](O)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233253 953190796 /nfs/dbraw/zinc/19/07/96/953190796.db2.gz QCQFSCUGXQISEN-LZWOXQAQSA-N 0 1 383.456 0.816 20 0 GCADMN Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)C2CCC(O)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233400 953192557 /nfs/dbraw/zinc/19/25/57/953192557.db2.gz UKYZZRYYVHXVLH-GQKFXUNGSA-N 0 1 383.456 0.911 20 0 GCADMN C[C@@H]1C[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571233599 953193740 /nfs/dbraw/zinc/19/37/40/953193740.db2.gz YJDHIEYATQJRHJ-CHWSQXEVSA-N 0 1 383.460 0.544 20 0 GCADMN C[C@@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001571233599 953193744 /nfs/dbraw/zinc/19/37/44/953193744.db2.gz YJDHIEYATQJRHJ-CHWSQXEVSA-N 0 1 383.460 0.544 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CC[N@@H+]1C ZINC001571233705 953195220 /nfs/dbraw/zinc/19/52/20/953195220.db2.gz BIDKZKDLOZJDCH-XUXIUFHCSA-N 0 1 383.460 0.177 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nnn[n-]3)nn2)CC[N@H+]1C ZINC001571233705 953195222 /nfs/dbraw/zinc/19/52/22/953195222.db2.gz BIDKZKDLOZJDCH-XUXIUFHCSA-N 0 1 383.460 0.177 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)CC[N@@H+]1C ZINC001571233705 953195223 /nfs/dbraw/zinc/19/52/23/953195223.db2.gz BIDKZKDLOZJDCH-XUXIUFHCSA-N 0 1 383.460 0.177 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3c2ccc(-c3nn[n-]n3)nn2)CC[N@H+]1C ZINC001571233705 953195226 /nfs/dbraw/zinc/19/52/26/953195226.db2.gz BIDKZKDLOZJDCH-XUXIUFHCSA-N 0 1 383.460 0.177 20 0 GCADMN CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571233997 953197515 /nfs/dbraw/zinc/19/75/15/953197515.db2.gz KEGSBAAFIXXUGG-KGLIPLIRSA-N 0 1 383.460 0.036 20 0 GCADMN CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571233997 953197516 /nfs/dbraw/zinc/19/75/16/953197516.db2.gz KEGSBAAFIXXUGG-KGLIPLIRSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[nH]n4)n3)C[C@H]2C1 ZINC001571234130 953198791 /nfs/dbraw/zinc/19/87/91/953198791.db2.gz NXAAWEMKBFPNJW-VNHYZAJKSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571234130 953198792 /nfs/dbraw/zinc/19/87/92/953198792.db2.gz NXAAWEMKBFPNJW-VNHYZAJKSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(c3cncc(-c4nn[n-]n4)n3)C[C@H]2C1 ZINC001571234130 953198795 /nfs/dbraw/zinc/19/87/95/953198795.db2.gz NXAAWEMKBFPNJW-VNHYZAJKSA-N 0 1 383.460 0.036 20 0 GCADMN O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1 ZINC001571234085 953199359 /nfs/dbraw/zinc/19/93/59/953199359.db2.gz MWQZHZCOIZIJCZ-UONOGXRCSA-N 0 1 383.460 0.401 20 0 GCADMN O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1 ZINC001571234085 953199360 /nfs/dbraw/zinc/19/93/60/953199360.db2.gz MWQZHZCOIZIJCZ-UONOGXRCSA-N 0 1 383.460 0.401 20 0 GCADMN 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C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21 ZINC001328399342 969709619 /nfs/dbraw/zinc/70/96/19/969709619.db2.gz AOGQNUNFLKDJTJ-AAEUAGOBSA-N 0 1 381.454 0.408 20 0 GCADMN C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@@H]1C(=O)[O-] ZINC001329041114 969711581 /nfs/dbraw/zinc/71/15/81/969711581.db2.gz JWXVSXRCLFDNNW-HOTGVXAUSA-N 0 1 390.488 0.741 20 0 GCADMN C[C@](O)(CNC(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)[O-] ZINC001609955940 970619382 /nfs/dbraw/zinc/61/93/82/970619382.db2.gz WZHATJWHINMVNB-IBGZPJMESA-N 0 1 390.440 0.931 20 0 GCADMN C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC001605018579 972619963 /nfs/dbraw/zinc/61/99/63/972619963.db2.gz NZXOQJFDTHVLGX-KUHUBIRLSA-N 0 1 381.473 0.174 20 0 GCADMN Cn1cc([C@@H]2C[N@@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCCCN(CC(=O)[O-])C2=O)cn1 ZINC001604203224 972664129 /nfs/dbraw/zinc/66/41/29/972664129.db2.gz ONCIXLLPEPMSME-HRCADAONSA-N 0 1 391.472 0.037 20 0 GCADMN 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COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC001604828893 974071063 /nfs/dbraw/zinc/07/10/63/974071063.db2.gz DGQUPINESYPIHW-WDEREUQCSA-N 0 1 385.442 0.466 20 0 GCADMN Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000546957074 974431148 /nfs/dbraw/zinc/43/11/48/974431148.db2.gz QFGYAYXCLBQVFT-LBPRGKRZSA-N 0 1 387.458 0.507 20 0 GCADMN Cc1oc(C(=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000546957074 974431152 /nfs/dbraw/zinc/43/11/52/974431152.db2.gz QFGYAYXCLBQVFT-LBPRGKRZSA-N 0 1 387.458 0.507 20 0 GCADMN CCn1c(=O)[nH]c2cc(C(=O)OCC[N@H+]3CCC[C@@H]3C(=O)[O-])ccc2c1=O ZINC001604003287 974508173 /nfs/dbraw/zinc/50/81/73/974508173.db2.gz VTTLUHGOFDZRMF-CQSZACIVSA-N 0 1 375.381 0.828 20 0 GCADMN O=C([O-])[C@@H]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000647593027 975369312 /nfs/dbraw/zinc/36/93/12/975369312.db2.gz YPWPDZYWAVMGKX-BDXSIMOUSA-N 0 1 385.464 0.946 20 0 GCADMN CC(C)Oc1ncccc1NC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C ZINC001591814797 976053685 /nfs/dbraw/zinc/05/36/85/976053685.db2.gz NRVORRVUIUHCTB-ZDUSSCGKSA-N 0 1 378.429 0.815 20 0 GCADMN CC(C)Oc1ncccc1NC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C ZINC001591814797 976053698 /nfs/dbraw/zinc/05/36/98/976053698.db2.gz NRVORRVUIUHCTB-ZDUSSCGKSA-N 0 1 378.429 0.815 20 0 GCADMN CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC[N@@H+]1C ZINC001591907323 976309842 /nfs/dbraw/zinc/30/98/42/976309842.db2.gz MEMGBUGAGCVGAT-UARSRXHTSA-N 0 1 381.473 0.314 20 0 GCADMN CC(C)[C@H]1CN(C(=O)C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)CC[N@H+]1C ZINC001591907323 976309855 /nfs/dbraw/zinc/30/98/55/976309855.db2.gz MEMGBUGAGCVGAT-UARSRXHTSA-N 0 1 381.473 0.314 20 0 GCADMN O=C([O-])c1ncsc1S(=O)(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702603716 977097222 /nfs/dbraw/zinc/09/72/22/977097222.db2.gz CFKSKVHVJJIOGZ-MRXNPFEDSA-N 0 1 397.478 0.757 20 0 GCADMN C[C@@H](CC(=O)[O-])CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001592381968 977922270 /nfs/dbraw/zinc/92/22/70/977922270.db2.gz SGTSWQWTRGPLLL-NVXWUHKLSA-N 0 1 375.469 0.989 20 0 GCADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2nc3c(s2)CCCC3)CC1 ZINC001592406151 977981378 /nfs/dbraw/zinc/98/13/78/977981378.db2.gz NIMBMCXXCJGTIB-NSHDSACASA-N 0 1 380.470 0.968 20 0 GCADMN C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001592514449 978358388 /nfs/dbraw/zinc/35/83/88/978358388.db2.gz VSLPQBLYSJQDJL-GFCCVEGCSA-N 0 1 380.420 0.605 20 0 GCADMN CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2nnc(CCC(=O)[O-])s2)CC1=O ZINC000737114433 978379672 /nfs/dbraw/zinc/37/96/72/978379672.db2.gz JDNYRUDRMHHJHG-NEPJUHHUSA-N 0 1 395.485 0.827 20 0 GCADMN C[NH+]1CCN(c2cc(C(=O)Nc3nnc(CCC(=O)[O-])s3)ccn2)CC1 ZINC000737528544 978413500 /nfs/dbraw/zinc/41/35/00/978413500.db2.gz HKMVEZGLIFCYGR-UHFFFAOYSA-N 0 1 376.442 0.954 20 0 GCADMN COCC[N@@H+]1CCN(CC(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)C[C@H]1C 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ACLUZHVUBXOWDX-UHFFFAOYSA-N 0 1 381.454 0.839 20 0 GCADMN O=C([O-])C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000819344598 597102540 /nfs/dbraw/zinc/10/25/40/597102540.db2.gz SLBQEVVONLMEHV-JKSUJKDBSA-N 0 1 381.473 0.413 20 0 GCADMN O=C(CC[NH+](CCO)CCO)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000737839859 599241988 /nfs/dbraw/zinc/24/19/88/599241988.db2.gz VKRUBDWKZYMVTB-UHFFFAOYSA-N 0 1 394.501 0.812 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N1CC[C@@H](N2CC=CC2)C1 ZINC000738144923 599244321 /nfs/dbraw/zinc/24/43/21/599244321.db2.gz OVQZAYYJKDMSGL-GFCCVEGCSA-N 0 1 387.831 0.931 20 0 GCADMN C[C@@H](NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[O-] ZINC000818022197 597322836 /nfs/dbraw/zinc/32/28/36/597322836.db2.gz FDGNNLABDSTYLR-HIFRSBDPSA-N 0 1 385.424 0.858 20 0 GCADMN O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1cccc(N2CCCS2(=O)=O)c1 ZINC000819513254 597454457 /nfs/dbraw/zinc/45/44/57/597454457.db2.gz IBXFWSYSHXYUPD-HNNXBMFYSA-N 0 1 382.438 0.932 20 0 GCADMN 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CCc1nc([C@@H]2CN(C(=O)CNc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736697209 599286947 /nfs/dbraw/zinc/28/69/47/599286947.db2.gz ATZJJEVXFJPFCY-ZDUSSCGKSA-N 0 1 383.416 0.559 20 0 GCADMN CCc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000736699229 599287302 /nfs/dbraw/zinc/28/73/02/599287302.db2.gz LPLYSSAHRQPQPP-SMDDNHRTSA-N 0 1 398.427 0.915 20 0 GCADMN Cc1nc([C@H]2CN(C(=O)[C@H](C)Oc3ccccc3-c3nn[nH]n3)CCO2)n[nH]1 ZINC000737453929 599288113 /nfs/dbraw/zinc/28/81/13/599288113.db2.gz TUDDKNDZOKNDQT-IINYFYTJSA-N 0 1 384.400 0.661 20 0 GCADMN Cc1nc([C@@H]2CN(C(=O)[C@H](C)Oc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000737453560 599288164 /nfs/dbraw/zinc/28/81/64/599288164.db2.gz PPZLNCDOBOHPDB-HZMBPMFUSA-N 0 1 384.400 0.661 20 0 GCADMN CCCc1nc([C@H]2CN(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000736494817 599291896 /nfs/dbraw/zinc/29/18/96/599291896.db2.gz HLOKTOHSISJVAA-CQSZACIVSA-N 0 1 397.443 0.949 20 0 GCADMN CCCc1n[nH]c([C@H]2CN(CC(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)n1 ZINC000736494817 599291899 /nfs/dbraw/zinc/29/18/99/599291899.db2.gz HLOKTOHSISJVAA-CQSZACIVSA-N 0 1 397.443 0.949 20 0 GCADMN CC(C)[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)CC(=O)[O-] ZINC000580085433 598078366 /nfs/dbraw/zinc/07/83/66/598078366.db2.gz SHZBNXQGODUVJB-UHFFFAOYSA-N 0 1 386.470 0.881 20 0 GCADMN CC(C)([NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)C(=O)NCC1CCCC1 ZINC000819987829 607335065 /nfs/dbraw/zinc/33/50/65/607335065.db2.gz NOAKEHQLUCZMQL-ZDUSSCGKSA-N 0 1 387.492 0.780 20 0 GCADMN O=C([O-])Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000821538383 598170955 /nfs/dbraw/zinc/17/09/55/598170955.db2.gz OXLHXJYCRRXDIO-JKSUJKDBSA-N 0 1 375.425 0.310 20 0 GCADMN Cc1cc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1C(=O)[O-] ZINC000820991829 598171066 /nfs/dbraw/zinc/17/10/66/598171066.db2.gz RKUMOLAHFIKBAJ-HZPDHXFCSA-N 0 1 375.425 0.689 20 0 GCADMN C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820251781 598191206 /nfs/dbraw/zinc/19/12/06/598191206.db2.gz JMISWCHOWFLAKW-CRAIPNDOSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820251781 598191207 /nfs/dbraw/zinc/19/12/07/598191207.db2.gz JMISWCHOWFLAKW-CRAIPNDOSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820251781 598191208 /nfs/dbraw/zinc/19/12/08/598191208.db2.gz JMISWCHOWFLAKW-CRAIPNDOSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000820251781 598191209 /nfs/dbraw/zinc/19/12/09/598191209.db2.gz JMISWCHOWFLAKW-CRAIPNDOSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@]1(c2cccc(-c3nn[nH]n3)c2)NC(=O)N(CN2CCN(C3CC3)CC2)C1=O ZINC000736225409 598234722 /nfs/dbraw/zinc/23/47/22/598234722.db2.gz YBXFOHKEPPDPNR-LJQANCHMSA-N 0 1 396.455 0.371 20 0 GCADMN CN(C[C@@H]1CCN(C)C1)C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736847333 598238022 /nfs/dbraw/zinc/23/80/22/598238022.db2.gz GHXAAVHNDSCTBC-CQSZACIVSA-N 0 1 392.485 0.192 20 0 GCADMN CC1(C)NC(=O)N(CCCN2CCN(c3ccccc3-c3nn[nH]n3)CC2)C1=O ZINC000736214861 598251257 /nfs/dbraw/zinc/25/12/57/598251257.db2.gz RCHDVACTKCETFV-UHFFFAOYSA-N 0 1 398.471 0.709 20 0 GCADMN O=C(CCN1CCN(c2cccnn2)CC1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737845249 598258760 /nfs/dbraw/zinc/25/87/60/598258760.db2.gz YKIFLQWTWDYNSL-UHFFFAOYSA-N 0 1 379.428 0.808 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)cc1-c1nn[nH]n1 ZINC000737186908 598262486 /nfs/dbraw/zinc/26/24/86/598262486.db2.gz LNVNYRYDKQZWCK-VHSXEESVSA-N 0 1 393.473 0.528 20 0 GCADMN CCOCCS(=O)(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736624962 598270874 /nfs/dbraw/zinc/27/08/74/598270874.db2.gz GJZSGRWMBJRNEV-UHFFFAOYSA-N 0 1 382.490 0.597 20 0 GCADMN O=C(NCc1ccc(-c2nn[nH]n2)cc1F)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000738100562 598327067 /nfs/dbraw/zinc/32/70/67/598327067.db2.gz REJNCHGISWTRSG-CVEARBPZSA-N 0 1 389.435 0.746 20 0 GCADMN O=C1CN(CN2CCN(C3CC3)CC2)C(=O)N1Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738306472 598335605 /nfs/dbraw/zinc/33/56/05/598335605.db2.gz JELJSVIPLGWIMI-UHFFFAOYSA-N 0 1 396.455 0.368 20 0 GCADMN CC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CCN1C[C@@H](C)O ZINC000736411608 598343333 /nfs/dbraw/zinc/34/33/33/598343333.db2.gz QVUWQICAZLOEOZ-JKIFEVAISA-N 0 1 387.488 0.971 20 0 GCADMN Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)N1CC[NH+](C[C@H](C)O)CC1 ZINC000737198570 598346888 /nfs/dbraw/zinc/34/68/88/598346888.db2.gz BBPUUAGMXYKHFB-NSHDSACASA-N 0 1 389.460 0.042 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCCc2cccc(C(N)=O)c2)cc1-c1nn[nH]n1 ZINC000737188131 598359312 /nfs/dbraw/zinc/35/93/12/598359312.db2.gz ZXCMAXAMGWWCNT-UHFFFAOYSA-N 0 1 399.436 0.761 20 0 GCADMN O=C(NCCn1cncn1)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738094414 598362232 /nfs/dbraw/zinc/36/22/32/598362232.db2.gz GETDYQPFQDJTTC-UHFFFAOYSA-N 0 1 396.459 0.376 20 0 GCADMN C[C@H](O)CN1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1C ZINC000736145594 598363970 /nfs/dbraw/zinc/36/39/70/598363970.db2.gz CVFFLQMKUZGEJN-JKIFEVAISA-N 0 1 385.472 0.359 20 0 GCADMN C[C@H](O)CN1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736150137 598364893 /nfs/dbraw/zinc/36/48/93/598364893.db2.gz WNEDFPQBPSIYRT-RYUDHWBXSA-N 0 1 393.879 0.846 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735476707 598365730 /nfs/dbraw/zinc/36/57/30/598365730.db2.gz WLVRAMKAWWKJNG-UHFFFAOYSA-N 0 1 385.472 0.816 20 0 GCADMN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737849825 598380471 /nfs/dbraw/zinc/38/04/71/598380471.db2.gz HVZOPMHJRLIGMQ-UHFFFAOYSA-N 0 1 398.448 0.975 20 0 GCADMN C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000736002041 598401167 /nfs/dbraw/zinc/40/11/67/598401167.db2.gz OHLQZIUKQHSEDU-YJBOKZPZSA-N 0 1 398.515 0.588 20 0 GCADMN CN(C)[C@@H](Cc1ccccc1)C(=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000736757755 598409041 /nfs/dbraw/zinc/40/90/41/598409041.db2.gz CETPXPVMGKWELZ-INIZCTEOSA-N 0 1 380.456 0.963 20 0 GCADMN NC(=O)CC[C@H]1CCCN([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737746619 598422754 /nfs/dbraw/zinc/42/27/54/598422754.db2.gz JPPVUCYXHBBRRK-CJNGLKHVSA-N 0 1 383.456 0.950 20 0 GCADMN Cc1ccc(-n2nc(CCCNC(=O)CN(C)C)c(-c3nn[nH]n3)c2N)cc1 ZINC000737306835 598454213 /nfs/dbraw/zinc/45/42/13/598454213.db2.gz UCTMNNZQWAVILL-UHFFFAOYSA-N 0 1 383.460 0.553 20 0 GCADMN COC(=O)NCCC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736936657 598459666 /nfs/dbraw/zinc/45/96/66/598459666.db2.gz FYVQZIACNRHERI-UHFFFAOYSA-N 0 1 390.404 0.127 20 0 GCADMN O=C([C@H]1CCCCN1CCOc1cccc(-c2nn[nH]n2)c1)N1CCOCC1 ZINC000737791234 598463209 /nfs/dbraw/zinc/46/32/09/598463209.db2.gz ISLOYQHJWVUVKF-QGZVFWFLSA-N 0 1 386.456 0.959 20 0 GCADMN COCC[N@H+]1CC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nnn[n-]3)c2C)C1 ZINC000737008004 598466340 /nfs/dbraw/zinc/46/63/40/598466340.db2.gz RPDCGSKIWKDQFN-CYBMUJFWSA-N 0 1 389.460 0.354 20 0 GCADMN COCC[N@@H+]1CC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737008004 598466341 /nfs/dbraw/zinc/46/63/41/598466341.db2.gz RPDCGSKIWKDQFN-CYBMUJFWSA-N 0 1 389.460 0.354 20 0 GCADMN COCC[N@H+]1CC[C@@H](NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[n-]n3)c2C)C1 ZINC000737008004 598466342 /nfs/dbraw/zinc/46/63/42/598466342.db2.gz RPDCGSKIWKDQFN-CYBMUJFWSA-N 0 1 389.460 0.354 20 0 GCADMN c1nn2cc(C[NH2+]CCc3nnc4n3CCCCC4)cnc2c1-c1nnn[n-]1 ZINC000738451048 598494080 /nfs/dbraw/zinc/49/40/80/598494080.db2.gz AWIVOQUOYPDFCW-UHFFFAOYSA-N 0 1 379.432 0.560 20 0 GCADMN c1nn2cc(C[NH2+]CCc3nnc4n3CCCCC4)cnc2c1-c1nn[n-]n1 ZINC000738451048 598494081 /nfs/dbraw/zinc/49/40/81/598494081.db2.gz AWIVOQUOYPDFCW-UHFFFAOYSA-N 0 1 379.432 0.560 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000737488137 598498272 /nfs/dbraw/zinc/49/82/72/598498272.db2.gz PJTBPVQNYSPBGJ-AWEZNQCLSA-N 0 1 397.487 0.917 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000737488137 598498274 /nfs/dbraw/zinc/49/82/74/598498274.db2.gz PJTBPVQNYSPBGJ-AWEZNQCLSA-N 0 1 397.487 0.917 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000737488137 598498276 /nfs/dbraw/zinc/49/82/76/598498276.db2.gz PJTBPVQNYSPBGJ-AWEZNQCLSA-N 0 1 397.487 0.917 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000737488137 598498277 /nfs/dbraw/zinc/49/82/77/598498277.db2.gz PJTBPVQNYSPBGJ-AWEZNQCLSA-N 0 1 397.487 0.917 20 0 GCADMN O=C(C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1)Nc1ccc(Cl)cc1 ZINC000737894657 598524812 /nfs/dbraw/zinc/52/48/12/598524812.db2.gz ISQCKSSEOJNVTM-JTQLQIEISA-N 0 1 387.835 0.987 20 0 GCADMN O=C1[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1Cc1ccccc1 ZINC000738288102 598528467 /nfs/dbraw/zinc/52/84/67/598528467.db2.gz AQPMEKNGOGVQHN-GDBMZVCRSA-N 0 1 393.455 0.496 20 0 GCADMN CC(C)C(=O)N1CCCN(C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735684603 598532656 /nfs/dbraw/zinc/53/26/56/598532656.db2.gz PVAFXOQWEIUYLA-MRXNPFEDSA-N 0 1 388.472 0.797 20 0 GCADMN CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)C[C@@H]1CCOC1 ZINC000736768671 598595190 /nfs/dbraw/zinc/59/51/90/598595190.db2.gz HNBIKHMCARDNAC-OAHLLOKOSA-N 0 1 394.501 0.597 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000737488353 598623380 /nfs/dbraw/zinc/62/33/80/598623380.db2.gz SRZLDESPKSOHOH-CYBMUJFWSA-N 0 1 383.460 0.527 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000737488353 598623382 /nfs/dbraw/zinc/62/33/82/598623382.db2.gz SRZLDESPKSOHOH-CYBMUJFWSA-N 0 1 383.460 0.527 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000737488353 598623384 /nfs/dbraw/zinc/62/33/84/598623384.db2.gz SRZLDESPKSOHOH-CYBMUJFWSA-N 0 1 383.460 0.527 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000737488353 598623386 /nfs/dbraw/zinc/62/33/86/598623386.db2.gz SRZLDESPKSOHOH-CYBMUJFWSA-N 0 1 383.460 0.527 20 0 GCADMN O=C(CSCc1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000737932127 598623507 /nfs/dbraw/zinc/62/35/07/598623507.db2.gz JPNOOSLZKMOKBC-GFCCVEGCSA-N 0 1 387.429 0.213 20 0 GCADMN CCc1nn(CC(=O)NC2CC[NH+](CC)CC2)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736705704 598641842 /nfs/dbraw/zinc/64/18/42/598641842.db2.gz NWCQWRBKCKXISZ-UHFFFAOYSA-N 0 1 388.476 0.149 20 0 GCADMN CCCN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)CC1 ZINC000736479752 598668717 /nfs/dbraw/zinc/66/87/17/598668717.db2.gz GGIYTNGVQFXQFX-UHFFFAOYSA-N 0 1 381.444 0.802 20 0 GCADMN O=S(=O)(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738342836 598693943 /nfs/dbraw/zinc/69/39/43/598693943.db2.gz LWNSCSFPBPSCRC-GHMZBOCLSA-N 0 1 382.421 0.147 20 0 GCADMN O=S(=O)(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738342840 598693983 /nfs/dbraw/zinc/69/39/83/598693983.db2.gz LWNSCSFPBPSCRC-QWRGUYRKSA-N 0 1 382.421 0.147 20 0 GCADMN CC(C)[C@@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000735736678 598695446 /nfs/dbraw/zinc/69/54/46/598695446.db2.gz VHYQSCFYXPBIDV-RHSMWYFYSA-N 0 1 387.488 0.632 20 0 GCADMN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@H]1CN(C)CCN1C ZINC000735736682 598695472 /nfs/dbraw/zinc/69/54/72/598695472.db2.gz VHYQSCFYXPBIDV-YOEHRIQHSA-N 0 1 387.488 0.632 20 0 GCADMN CN1CCN(C)[C@H](CNC(=O)[C@@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736855563 598696314 /nfs/dbraw/zinc/69/63/14/598696314.db2.gz DSXDHNKNGQYHDP-SJORKVTESA-N 0 1 384.488 0.198 20 0 GCADMN CN1CCN(C[C@H]2CN(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)CCO2)CC1 ZINC000736864564 598715963 /nfs/dbraw/zinc/71/59/63/598715963.db2.gz SAKWXXCKLAZCEO-INIZCTEOSA-N 0 1 386.460 0.347 20 0 GCADMN COCCN(CCCS(=O)(=O)N(C)C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736994493 598716857 /nfs/dbraw/zinc/71/68/57/598716857.db2.gz IYJVMPMFECHUJB-UHFFFAOYSA-N 0 1 382.490 0.597 20 0 GCADMN COC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736892944 598719195 /nfs/dbraw/zinc/71/91/95/598719195.db2.gz QMJMPMHRNLCYOQ-AWEZNQCLSA-N 0 1 398.423 0.886 20 0 GCADMN CCCNC(=O)CN(C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736484383 598719680 /nfs/dbraw/zinc/71/96/80/598719680.db2.gz XXWQKXLFZJEYOD-UHFFFAOYSA-N 0 1 383.412 0.166 20 0 GCADMN CCN(CC(=O)NC(C)C)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736512420 598720678 /nfs/dbraw/zinc/72/06/78/598720678.db2.gz ZQHWBTNBJQWPCU-UHFFFAOYSA-N 0 1 397.439 0.555 20 0 GCADMN CCNC(=O)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736575248 598720883 /nfs/dbraw/zinc/72/08/83/598720883.db2.gz DCGIWZACVSGNNO-UHFFFAOYSA-N 0 1 375.776 0.681 20 0 GCADMN COCCCNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21 ZINC000736984726 598721375 /nfs/dbraw/zinc/72/13/75/598721375.db2.gz ALPAADDXGFZVKS-UHFFFAOYSA-N 0 1 376.804 0.988 20 0 GCADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2cc(Cl)ccc21)NC(=O)NC1CC1 ZINC000737981037 598722159 /nfs/dbraw/zinc/72/21/59/598722159.db2.gz HQXQZULSODRRCT-UHFFFAOYSA-N 0 1 387.787 0.823 20 0 GCADMN 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QWQCBZVHPPNPLD-AWEZNQCLSA-N 0 1 391.424 0.269 20 0 GCADMN CNC(=O)[C@H](C)C[N@H+](C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000830974859 601379283 /nfs/dbraw/zinc/37/92/83/601379283.db2.gz FJMLQXHAQSOMBG-MRVPVSSYSA-N 0 1 385.442 0.794 20 0 GCADMN CNC(=O)[C@H](C)C[N@@H+](C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000830974859 601379284 /nfs/dbraw/zinc/37/92/84/601379284.db2.gz FJMLQXHAQSOMBG-MRVPVSSYSA-N 0 1 385.442 0.794 20 0 GCADMN CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000830974860 601379591 /nfs/dbraw/zinc/37/95/91/601379591.db2.gz FJMLQXHAQSOMBG-QMMMGPOBSA-N 0 1 385.442 0.794 20 0 GCADMN CNC(=O)[C@@H](C)C[N@@H+](C)CC(=O)Nc1sc(C(=O)[O-])c(C)c1C(=O)OC ZINC000830974860 601379593 /nfs/dbraw/zinc/37/95/93/601379593.db2.gz FJMLQXHAQSOMBG-QMMMGPOBSA-N 0 1 385.442 0.794 20 0 GCADMN CNC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)[O-] ZINC000830974448 601379718 /nfs/dbraw/zinc/37/97/18/601379718.db2.gz AEWLYOMYELUSPH-GHMZBOCLSA-N 0 1 379.413 0.812 20 0 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CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC(=O)[O-])CC1 ZINC000818378634 601467211 /nfs/dbraw/zinc/46/72/11/601467211.db2.gz XOAUAHXJNLMRSX-UHFFFAOYSA-N 0 1 376.457 0.394 20 0 GCADMN C[N@H+]1CCCN(c2ccc(NC(=O)C(=O)N3CC[C@@](F)(C(=O)[O-])C3)cc2)CC1 ZINC000830946007 601482161 /nfs/dbraw/zinc/48/21/61/601482161.db2.gz DRGKFKYGZZAYOI-IBGZPJMESA-N 0 1 392.431 0.792 20 0 GCADMN O=C([O-])[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000833156637 601483357 /nfs/dbraw/zinc/48/33/57/601483357.db2.gz BTNXGGDHDHBREY-IBGZPJMESA-N 0 1 393.415 0.525 20 0 GCADMN Cc1oc(C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)cc1S(=O)(=O)N(C)C ZINC000833024528 601504072 /nfs/dbraw/zinc/50/40/72/601504072.db2.gz JNCDSAQJQSBOEJ-LLVKDONJSA-N 0 1 387.458 0.459 20 0 GCADMN C[C@@H]1C[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C(=O)[O-] ZINC000828450563 601507606 /nfs/dbraw/zinc/50/76/06/601507606.db2.gz QKPBNTCLAIEJJP-DOMZBBRYSA-N 0 1 383.470 0.035 20 0 GCADMN 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COC(=O)c1cc(NC(=O)C[NH+]2CCC3(CNC(=O)C3)CC2)cc(C(=O)[O-])c1 ZINC000831268729 601548511 /nfs/dbraw/zinc/54/85/11/601548511.db2.gz DRZXTVLSCBBTRN-UHFFFAOYSA-N 0 1 389.408 0.712 20 0 GCADMN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H](O)C1 ZINC000831231283 601556996 /nfs/dbraw/zinc/55/69/96/601556996.db2.gz YDIUHJLXURTMHC-AOOOYVTPSA-N 0 1 386.426 0.297 20 0 GCADMN C[N@H+]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC000830941255 601577063 /nfs/dbraw/zinc/57/70/63/601577063.db2.gz VPHMFMBDBNUSDP-LBPRGKRZSA-N 0 1 388.515 0.632 20 0 GCADMN COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000832189671 601580354 /nfs/dbraw/zinc/58/03/54/601580354.db2.gz HNKVPYDHNACVOL-ZDUSSCGKSA-N 0 1 384.454 0.736 20 0 GCADMN O=C([O-])c1nc(Cl)ccc1S(=O)(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000833344278 601584593 /nfs/dbraw/zinc/58/45/93/601584593.db2.gz JRMMUHHTVFQELR-LLVKDONJSA-N 0 1 389.861 0.776 20 0 GCADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@@H](C)C(=O)NCC(=O)[O-])CC2)cs1 ZINC000831500733 601611097 /nfs/dbraw/zinc/61/10/97/601611097.db2.gz LZDOMVJCVIDFKK-STQMWFEESA-N 0 1 384.502 0.948 20 0 GCADMN CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@@H](C)C(=O)NCC(=O)[O-])CC2)cs1 ZINC000831500733 601611100 /nfs/dbraw/zinc/61/11/00/601611100.db2.gz LZDOMVJCVIDFKK-STQMWFEESA-N 0 1 384.502 0.948 20 0 GCADMN CO[C@@H](C)c1nc(CN2CCC[N@@H+]([C@H](C)C(=O)NCC(=O)[O-])CC2)cs1 ZINC000831500729 601611150 /nfs/dbraw/zinc/61/11/50/601611150.db2.gz LZDOMVJCVIDFKK-OLZOCXBDSA-N 0 1 384.502 0.948 20 0 GCADMN CO[C@@H](C)c1nc(CN2CCC[N@H+]([C@H](C)C(=O)NCC(=O)[O-])CC2)cs1 ZINC000831500729 601611151 /nfs/dbraw/zinc/61/11/51/601611151.db2.gz LZDOMVJCVIDFKK-OLZOCXBDSA-N 0 1 384.502 0.948 20 0 GCADMN C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C(=O)[O-] ZINC000828354425 601644071 /nfs/dbraw/zinc/64/40/71/601644071.db2.gz KQMIPFIKRMEPJL-GJZGRUSLSA-N 0 1 376.461 0.351 20 0 GCADMN C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C(=O)[O-] ZINC000828353981 601655614 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KHCOTPFVMUAFTN-SWLSCSKDSA-N 0 1 390.440 0.284 20 0 GCADMN COC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C(=O)[O-] ZINC000831394422 601768775 /nfs/dbraw/zinc/76/87/75/601768775.db2.gz SDDWVYRFVJKEHX-IAQYHMDHSA-N 0 1 391.424 0.955 20 0 GCADMN COC(=O)c1ccc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1C(=O)[O-] ZINC000831394421 601768857 /nfs/dbraw/zinc/76/88/57/601768857.db2.gz SDDWVYRFVJKEHX-ABAIWWIYSA-N 0 1 391.424 0.955 20 0 GCADMN Nc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833089911 601776903 /nfs/dbraw/zinc/77/69/03/601776903.db2.gz GIWACLQKTGAMJC-SFHVURJKSA-N 0 1 387.396 0.319 20 0 GCADMN O=C(CCN1CCOCC1)N[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC000833100049 601777118 /nfs/dbraw/zinc/77/71/18/601777118.db2.gz MPLZYJXAPGTKGF-FQEVSTJZSA-N 0 1 375.469 0.944 20 0 GCADMN CCN1CCN(CC(=O)N[C@@]2(C(=O)[O-])CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000829776324 601777774 /nfs/dbraw/zinc/77/77/74/601777774.db2.gz MPNWJJWDHNRTHR-NRFANRHFSA-N 0 1 388.512 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20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000823125716 607211863 /nfs/dbraw/zinc/21/18/63/607211863.db2.gz BVZFUSWJEOWRGJ-HNNXBMFYSA-N 0 1 381.444 0.629 20 0 GCADMN COC(=O)[C@H](C)CN(Cc1ccccc1)C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000821638954 607212180 /nfs/dbraw/zinc/21/21/80/607212180.db2.gz LXMQAMVRZUWEDW-GFCCVEGCSA-N 0 1 384.400 0.296 20 0 GCADMN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000819933048 607212468 /nfs/dbraw/zinc/21/24/68/607212468.db2.gz DEMWTZOKDMTMOG-NSHDSACASA-N 0 1 391.436 0.222 20 0 GCADMN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C1 ZINC000821571957 607212531 /nfs/dbraw/zinc/21/25/31/607212531.db2.gz MKMURDQPBLONEG-NSHDSACASA-N 0 1 391.436 0.316 20 0 GCADMN Cc1ccc(-c2nc(CCNC(=O)Cn3cnc(-c4nn[nH]n4)n3)co2)cc1 ZINC000822213888 607212674 /nfs/dbraw/zinc/21/26/74/607212674.db2.gz FRMCZVCNGHWTJF-UHFFFAOYSA-N 0 1 379.384 0.781 20 0 GCADMN COc1ccc(CC2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)cc1 ZINC000821790898 607212737 /nfs/dbraw/zinc/21/27/37/607212737.db2.gz WFWZQDJSKGAHPT-UHFFFAOYSA-N 0 1 382.428 0.948 20 0 GCADMN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000822361948 607212810 /nfs/dbraw/zinc/21/28/10/607212810.db2.gz LJCIQOGJNIBEGZ-LBPRGKRZSA-N 0 1 399.440 0.307 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCCc1nc(-c2ccncc2)cs1 ZINC000823131265 607213838 /nfs/dbraw/zinc/21/38/38/607213838.db2.gz DWCZKIAAZQOUFH-UHFFFAOYSA-N 0 1 396.440 0.726 20 0 GCADMN CC(C)N(CCCNC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OC(C)(C)C ZINC000820116595 607214112 /nfs/dbraw/zinc/21/41/12/607214112.db2.gz KMSOEQJTHBAFFW-UHFFFAOYSA-N 0 1 393.452 0.610 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCOc1ccccc1C(F)(F)F ZINC000823131984 607215717 /nfs/dbraw/zinc/21/57/17/607215717.db2.gz UBDZWAGJHSDHMB-UHFFFAOYSA-N 0 1 382.306 0.672 20 0 GCADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821268606 607215944 /nfs/dbraw/zinc/21/59/44/607215944.db2.gz YHJDCNLKQVRMCW-HNNXBMFYSA-N 0 1 396.459 0.366 20 0 GCADMN CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821268606 607215945 /nfs/dbraw/zinc/21/59/45/607215945.db2.gz YHJDCNLKQVRMCW-HNNXBMFYSA-N 0 1 396.459 0.366 20 0 GCADMN CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821268606 607215946 /nfs/dbraw/zinc/21/59/46/607215946.db2.gz YHJDCNLKQVRMCW-HNNXBMFYSA-N 0 1 396.459 0.366 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000823127298 607216183 /nfs/dbraw/zinc/21/61/83/607216183.db2.gz ZFLHRWMZOYDRJU-JTQLQIEISA-N 0 1 387.791 0.033 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000823127299 607216354 /nfs/dbraw/zinc/21/63/54/607216354.db2.gz ZFLHRWMZOYDRJU-SNVBAGLBSA-N 0 1 387.791 0.033 20 0 GCADMN CC(=O)N(Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1)C(C)C ZINC000819789177 607217244 /nfs/dbraw/zinc/21/72/44/607217244.db2.gz KAXKITDNVUDHSC-UHFFFAOYSA-N 0 1 383.416 0.854 20 0 GCADMN CC(C)OC(=O)NCc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000820142729 607217375 /nfs/dbraw/zinc/21/73/75/607217375.db2.gz SUNGCGDGBGNZPB-UHFFFAOYSA-N 0 1 385.388 0.732 20 0 GCADMN CCNC(=O)N1CCc2ccc(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)cc21 ZINC000821286330 607218703 /nfs/dbraw/zinc/21/87/03/607218703.db2.gz PZLJTJSVBQPGOD-UHFFFAOYSA-N 0 1 382.388 0.189 20 0 GCADMN Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[nH]n4)n3)C2=O)cc1 ZINC000822241510 607219723 /nfs/dbraw/zinc/21/97/23/607219723.db2.gz YFBAPFDMEDAZJQ-ZDUSSCGKSA-N 0 1 381.400 0.078 20 0 GCADMN COC(=O)C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(Cl)c1 ZINC000821657104 607221029 /nfs/dbraw/zinc/22/10/29/607221029.db2.gz HURJPRZBTZHLFW-NSHDSACASA-N 0 1 390.791 0.532 20 0 GCADMN C[NH+](C)[C@H](CNC(=O)Cn1cnc(-c2nn[n-]n2)n1)c1ccc(Cl)cc1 ZINC000821579826 607221043 /nfs/dbraw/zinc/22/10/43/607221043.db2.gz PLTWZUGCFPMNAC-GFCCVEGCSA-N 0 1 375.824 0.531 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655782 607221690 /nfs/dbraw/zinc/22/16/90/607221690.db2.gz CEAUIQBTBONEIP-UKRRQHHQSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655782 607221691 /nfs/dbraw/zinc/22/16/91/607221691.db2.gz CEAUIQBTBONEIP-UKRRQHHQSA-N 0 1 381.444 0.628 20 0 GCADMN C[C@@H]1C[C@H](NC(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655782 607221692 /nfs/dbraw/zinc/22/16/92/607221692.db2.gz CEAUIQBTBONEIP-UKRRQHHQSA-N 0 1 381.444 0.628 20 0 GCADMN CC(C)C1CCC([NH+]2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)CC1 ZINC000820038235 607221777 /nfs/dbraw/zinc/22/17/77/607221777.db2.gz LZOBOLCTWREEBU-UHFFFAOYSA-N 0 1 387.492 0.817 20 0 GCADMN O=C(C[C@@H]1COCCN1C(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccs1 ZINC000822946076 607222290 /nfs/dbraw/zinc/22/22/90/607222290.db2.gz UOXVKYJNPFBZPJ-SNVBAGLBSA-N 0 1 388.413 0.020 20 0 GCADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(OC[C@@H]2CCCO2)c1 ZINC000822237353 607223239 /nfs/dbraw/zinc/22/32/39/607223239.db2.gz QBFGUWQMXKJGKU-AWEZNQCLSA-N 0 1 398.427 0.641 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1ccccc1OC(F)(F)F ZINC000823131421 607223385 /nfs/dbraw/zinc/22/33/85/607223385.db2.gz HAOHYVHOSWOAAY-UHFFFAOYSA-N 0 1 382.306 0.716 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1cccn(Cc2ccccc2)c1=O ZINC000823136133 607223416 /nfs/dbraw/zinc/22/34/16/607223416.db2.gz LKDXXZDFZFOMCZ-UHFFFAOYSA-N 0 1 377.368 0.307 20 0 GCADMN COc1ccccc1[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccco1 ZINC000821882944 607251419 /nfs/dbraw/zinc/25/14/19/607251419.db2.gz OABLCJQZGYGTCP-OAHLLOKOSA-N 0 1 380.368 0.966 20 0 GCADMN Cc1nnccc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826338506 607805038 /nfs/dbraw/zinc/80/50/38/607805038.db2.gz XXDYIJAZJGWCJH-UHFFFAOYSA-N 0 1 381.400 0.793 20 0 GCADMN C[C@H]1CN2CCC[C@@H]2CN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825000463 607815933 /nfs/dbraw/zinc/81/59/33/607815933.db2.gz QVGIFKBYHASRQY-DZGCQCFKSA-N 0 1 376.486 0.809 20 0 GCADMN C[C@H]1CN2CCC[C@H]2CN1CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825000466 607816037 /nfs/dbraw/zinc/81/60/37/607816037.db2.gz QVGIFKBYHASRQY-ZFWWWQNUSA-N 0 1 376.486 0.809 20 0 GCADMN CCN1C(=O)N=NC1SCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825797149 607816762 /nfs/dbraw/zinc/81/67/62/607816762.db2.gz WBXLVWUDKIXBQR-UHFFFAOYSA-N 0 1 381.443 0.750 20 0 GCADMN O=S(=O)(CCN1CC[C@@H]([C@H]2CCOC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484373 607829985 /nfs/dbraw/zinc/82/99/85/607829985.db2.gz ARQHQEMEUISJEQ-CABCVRRESA-N 0 1 377.470 0.999 20 0 GCADMN O=S(=O)(CCN1CC[C@H]([C@@H]2CCOC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000826484376 607830168 /nfs/dbraw/zinc/83/01/68/607830168.db2.gz ARQHQEMEUISJEQ-LSDHHAIUSA-N 0 1 377.470 0.999 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)CS[C@H]3CCO[C@H]3C)CC2)o1 ZINC000826322833 607845732 /nfs/dbraw/zinc/84/57/32/607845732.db2.gz DDERPSQLDYKKAU-JQWIXIFHSA-N 0 1 393.473 0.722 20 0 GCADMN CC(=O)N1CC[C@@H](CN(C)[C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000823975156 607857834 /nfs/dbraw/zinc/85/78/34/607857834.db2.gz VFOUEOFYDLSGDI-GXTWGEPZSA-N 0 1 389.485 0.834 20 0 GCADMN CNS(=O)(=O)C[C@H]1CCCN1Cc1cccc(C(=O)OC)c1-c1nn[nH]n1 ZINC000826090527 607925448 /nfs/dbraw/zinc/92/54/48/607925448.db2.gz IITRERSBIFSIDP-GFCCVEGCSA-N 0 1 394.457 0.167 20 0 GCADMN CS[C@H](CO)[C@H](C)NS(=O)(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826227850 608001127 /nfs/dbraw/zinc/00/11/27/608001127.db2.gz YPIVWWJIDKUGGM-QUBYGPBYSA-N 0 1 379.414 0.536 20 0 GCADMN C[C@H](CNS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)N1CCN(C)CC1 ZINC000824429839 608002236 /nfs/dbraw/zinc/00/22/36/608002236.db2.gz ZGRCPVIHIPRFTC-GFCCVEGCSA-N 0 1 397.480 0.061 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826073181 608020368 /nfs/dbraw/zinc/02/03/68/608020368.db2.gz IPDBMXPYGJYBSD-SECBINFHSA-N 0 1 393.452 0.594 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826073181 608020369 /nfs/dbraw/zinc/02/03/69/608020369.db2.gz IPDBMXPYGJYBSD-SECBINFHSA-N 0 1 393.452 0.594 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c(C)nn(C)c2C)c1-c1nnn[n-]1 ZINC000826077756 608020618 /nfs/dbraw/zinc/02/06/18/608020618.db2.gz UBHYYQOHSGKFMG-UHFFFAOYSA-N 0 1 386.464 0.663 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCc2c(C)nn(C)c2C)c1-c1nn[n-]n1 ZINC000826077756 608020619 /nfs/dbraw/zinc/02/06/19/608020619.db2.gz UBHYYQOHSGKFMG-UHFFFAOYSA-N 0 1 386.464 0.663 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2COc3ccccc3O2)c1-c1nnn[n-]1 ZINC000826077342 608021142 /nfs/dbraw/zinc/02/11/42/608021142.db2.gz DUOLYJFYGSGCJX-CYBMUJFWSA-N 0 1 384.400 0.520 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2COc3ccccc3O2)c1-c1nn[n-]n1 ZINC000826077342 608021143 /nfs/dbraw/zinc/02/11/43/608021143.db2.gz DUOLYJFYGSGCJX-CYBMUJFWSA-N 0 1 384.400 0.520 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cccn3)nc2)c1-c1nnn[n-]1 ZINC000826083037 608022007 /nfs/dbraw/zinc/02/20/07/608022007.db2.gz GNHPLUYZPMEZJK-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cccn3)nc2)c1-c1nn[n-]n1 ZINC000826083037 608022008 /nfs/dbraw/zinc/02/20/08/608022008.db2.gz GNHPLUYZPMEZJK-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(-n2ccnc2)nc1 ZINC000825934726 608035945 /nfs/dbraw/zinc/03/59/45/608035945.db2.gz QUWHEDGGTFQCRD-UHFFFAOYSA-N 0 1 379.432 0.817 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)Cc1ccc(-n2ccnc2)nc1 ZINC000825934726 608035946 /nfs/dbraw/zinc/03/59/46/608035946.db2.gz QUWHEDGGTFQCRD-UHFFFAOYSA-N 0 1 379.432 0.817 20 0 GCADMN Cc1ccc(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826292108 608036343 /nfs/dbraw/zinc/03/63/43/608036343.db2.gz IMRCVBGWODUGIT-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826292108 608036344 /nfs/dbraw/zinc/03/63/44/608036344.db2.gz IMRCVBGWODUGIT-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccc(OC[C@@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826292108 608036345 /nfs/dbraw/zinc/03/63/45/608036345.db2.gz IMRCVBGWODUGIT-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccc(OC[C@@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826292108 608036346 /nfs/dbraw/zinc/03/63/46/608036346.db2.gz IMRCVBGWODUGIT-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)CN1CCC(O)(C(F)(F)F)CC1 ZINC000826503870 608039854 /nfs/dbraw/zinc/03/98/54/608039854.db2.gz IHURTJMBHQZACF-GFCCVEGCSA-N 0 1 387.362 0.996 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826229970 608042245 /nfs/dbraw/zinc/04/22/45/608042245.db2.gz YOEKLYHBXWTQAG-NSHDSACASA-N 0 1 378.336 0.732 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NC[C@](C)(O)C(F)(F)F)cc1-c1nn[nH]n1 ZINC000826229970 608042246 /nfs/dbraw/zinc/04/22/46/608042246.db2.gz YOEKLYHBXWTQAG-NSHDSACASA-N 0 1 378.336 0.732 20 0 GCADMN CC(C)(C)OC(=O)N1CC(CN[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824104760 608098472 /nfs/dbraw/zinc/09/84/72/608098472.db2.gz XUSBCQXRIOBCLJ-CQSZACIVSA-N 0 1 387.444 0.850 20 0 GCADMN CN(CC(=O)N1CCN(c2cc(-c3nn[nH]n3)ccn2)CC1)[C@@H]1CCSC1 ZINC000825892326 608113620 /nfs/dbraw/zinc/11/36/20/608113620.db2.gz JZYQAGIEBUJLGZ-CQSZACIVSA-N 0 1 388.501 0.348 20 0 GCADMN CN1C(=O)CC[C@H]1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826010283 608146359 /nfs/dbraw/zinc/14/63/59/608146359.db2.gz GZAWQHGNINLAPI-NSHDSACASA-N 0 1 386.416 0.002 20 0 GCADMN CCc1nn(C)cc1C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825759670 608148168 /nfs/dbraw/zinc/14/81/68/608148168.db2.gz MWDVSBWRZRNDAJ-UHFFFAOYSA-N 0 1 397.443 0.990 20 0 GCADMN NC(=O)CNC(=O)c1cccc(Oc2snc(Cl)c2-c2nn[nH]n2)c1 ZINC000826391306 608185140 /nfs/dbraw/zinc/18/51/40/608185140.db2.gz FPQMNFOZJAIDIG-UHFFFAOYSA-N 0 1 379.789 0.984 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H](OC(C)=O)C2)cc1-c1nn[nH]n1 ZINC000826229676 608200006 /nfs/dbraw/zinc/20/00/06/608200006.db2.gz MWGLENQKZMKOFK-VIFPVBQESA-N 0 1 378.414 0.857 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)NCCCNC(=O)C(C)C)cc1-c1nn[nH]n1 ZINC000826230004 608205826 /nfs/dbraw/zinc/20/58/26/608205826.db2.gz ZPANMKGDGSQYIF-UHFFFAOYSA-N 0 1 379.446 0.581 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1-c1nn[n-]n1 ZINC000826229633 608205842 /nfs/dbraw/zinc/20/58/42/608205842.db2.gz LHPVBMGRLCBIDQ-GHMZBOCLSA-N 0 1 395.514 0.807 20 0 GCADMN O=C(CNc1ccc(-c2nn[nH]n2)cn1)NC1CCN(Cc2ccccn2)CC1 ZINC000826413513 608219406 /nfs/dbraw/zinc/21/94/06/608219406.db2.gz IKIFDBZFMVPLQT-UHFFFAOYSA-N 0 1 393.455 0.849 20 0 GCADMN CN(C)Cc1ccc(C(N)=O)cc1NC(=O)CNc1ccc(-c2nn[nH]n2)cn1 ZINC000825870577 608224876 /nfs/dbraw/zinc/22/48/76/608224876.db2.gz SMDDTWKOIZLQEY-UHFFFAOYSA-N 0 1 395.427 0.473 20 0 GCADMN O=C(Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21)N1CCOC[C@H]1C1CC1 ZINC000826424360 608231233 /nfs/dbraw/zinc/23/12/33/608231233.db2.gz IXOZPBNUYZQQJZ-INIZCTEOSA-N 0 1 380.408 0.819 20 0 GCADMN O=S(=O)(CC1CCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826484839 608245224 /nfs/dbraw/zinc/24/52/24/608245224.db2.gz QVNDHKJRGBNWKH-UHFFFAOYSA-N 0 1 393.473 0.984 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000826452170 608277889 /nfs/dbraw/zinc/27/78/89/608277889.db2.gz JWEFPEYBMZNTNF-VIFPVBQESA-N 0 1 386.803 0.855 20 0 GCADMN CCC[C@H]1CN(C(=O)Nc2nn(C)cc2-c2nn[nH]n2)CCN1CCOC ZINC000825254779 608306485 /nfs/dbraw/zinc/30/64/85/608306485.db2.gz URACLGROVQPULH-LBPRGKRZSA-N 0 1 377.453 0.565 20 0 GCADMN CCc1cc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)n[nH]1 ZINC000825700856 608353460 /nfs/dbraw/zinc/35/34/60/608353460.db2.gz WOZQLPFNSHLIAA-UHFFFAOYSA-N 0 1 386.420 0.359 20 0 GCADMN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C1 ZINC000825860862 608353823 /nfs/dbraw/zinc/35/38/23/608353823.db2.gz ZOVNAHFYWVSSHY-LLVKDONJSA-N 0 1 389.464 0.167 20 0 GCADMN C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C1 ZINC000825860862 608353826 /nfs/dbraw/zinc/35/38/26/608353826.db2.gz ZOVNAHFYWVSSHY-LLVKDONJSA-N 0 1 389.464 0.167 20 0 GCADMN CCC[C@@H]1CN([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CCN1CCOC ZINC000825254168 608375733 /nfs/dbraw/zinc/37/57/33/608375733.db2.gz QRYJYIIAHMFMNM-SJORKVTESA-N 0 1 387.488 0.826 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](C)C3)CC2)o1 ZINC000826323156 608377871 /nfs/dbraw/zinc/37/78/71/608377871.db2.gz SKGAAZSGSKXMEM-OLZOCXBDSA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@@H](C)C3)CC2)o1 ZINC000826323156 608377877 /nfs/dbraw/zinc/37/78/77/608377877.db2.gz SKGAAZSGSKXMEM-OLZOCXBDSA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](C)C3)CC2)o1 ZINC000826323156 608377880 /nfs/dbraw/zinc/37/78/80/608377880.db2.gz SKGAAZSGSKXMEM-OLZOCXBDSA-N 0 1 388.476 0.790 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2cccc(C)c2-c2nn[nH]n2)C[C@@H]1N(C)C ZINC000826226479 608443615 /nfs/dbraw/zinc/44/36/15/608443615.db2.gz AMHYIIWDLCISCG-RYUDHWBXSA-N 0 1 382.515 0.841 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1N(C)C ZINC000826227652 608443767 /nfs/dbraw/zinc/44/37/67/608443767.db2.gz VFCDVFOCFZGHKO-CHWSQXEVSA-N 0 1 386.478 0.672 20 0 GCADMN NC(=O)CCC1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000826391071 608469366 /nfs/dbraw/zinc/46/93/66/608469366.db2.gz WEKMBXMURCRWNC-MRXNPFEDSA-N 0 1 383.456 0.950 20 0 GCADMN CCN(C(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000825372328 608490069 /nfs/dbraw/zinc/49/00/69/608490069.db2.gz VRAUCHULGNWAOJ-WFASDCNBSA-N 0 1 392.485 0.553 20 0 GCADMN CC(C)[C@H](NCC(=O)NCc1ccc(-c2nn[nH]n2)cc1)C(=O)N1CCCC1 ZINC000824337800 608527274 /nfs/dbraw/zinc/52/72/74/608527274.db2.gz HVGIIEMZPDFDHK-KRWDZBQOSA-N 0 1 385.472 0.720 20 0 GCADMN O=C(NCCCO)C1CCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826436993 608530619 /nfs/dbraw/zinc/53/06/19/608530619.db2.gz RLTCZGRUBFWXKM-UHFFFAOYSA-N 0 1 384.444 0.225 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)CC1 ZINC000824297368 608558606 /nfs/dbraw/zinc/55/86/06/608558606.db2.gz VALYWGNSURGAON-UHFFFAOYSA-N 0 1 375.481 0.683 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)CC1 ZINC000824297368 608558607 /nfs/dbraw/zinc/55/86/07/608558607.db2.gz VALYWGNSURGAON-UHFFFAOYSA-N 0 1 375.481 0.683 20 0 GCADMN NS(=O)(=O)C[C@H]1CCCN(Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000826394199 608695164 /nfs/dbraw/zinc/69/51/64/608695164.db2.gz AWCXXNPUFQRZQR-NSHDSACASA-N 0 1 376.446 0.015 20 0 GCADMN C[C@@H](CN1CCOCC1)C(=O)NCc1nc(-c2cccc(-c3nn[nH]n3)c2)c[nH]1 ZINC000824412651 608811971 /nfs/dbraw/zinc/81/19/71/608811971.db2.gz CTJZHAFRSDJABC-ZDUSSCGKSA-N 0 1 396.455 0.841 20 0 GCADMN CCC[C@H]1C(=O)NCCN1C(=O)c1cc(-c2nn[nH]n2)c(SC)[nH]c1=O ZINC000825248160 609165934 /nfs/dbraw/zinc/16/59/34/609165934.db2.gz PRXKFZDUWSUCKK-JTQLQIEISA-N 0 1 377.430 0.430 20 0 GCADMN CN1CCN(c2ccc(NC(=O)[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)cn2)CC1 ZINC000826045559 609190501 /nfs/dbraw/zinc/19/05/01/609190501.db2.gz ZDCLZZRJOPEIGA-KRWDZBQOSA-N 0 1 394.439 0.686 20 0 GCADMN O=C([C@@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000826397950 609215410 /nfs/dbraw/zinc/21/54/10/609215410.db2.gz NDBKTXGXLYSCCJ-IRXDYDNUSA-N 0 1 386.456 0.613 20 0 GCADMN O=C(N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826432611 609216559 /nfs/dbraw/zinc/21/65/59/609216559.db2.gz GKZPLFHJSQXLNW-PBHICJAKSA-N 0 1 381.440 0.808 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC000826229617 609301285 /nfs/dbraw/zinc/30/12/85/609301285.db2.gz KYAHRSBWHPXOSU-GMSGAONNSA-N 0 1 377.430 0.463 20 0 GCADMN C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[N@H+](C)C1CC1 ZINC000824420646 609302066 /nfs/dbraw/zinc/30/20/66/609302066.db2.gz NBJWADMLAGMNLQ-SNVBAGLBSA-N 0 1 376.469 0.229 20 0 GCADMN C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)[N@@H+](C)C1CC1 ZINC000824420646 609302068 /nfs/dbraw/zinc/30/20/68/609302068.db2.gz NBJWADMLAGMNLQ-SNVBAGLBSA-N 0 1 376.469 0.229 20 0 GCADMN C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[N@H+](C)C1CC1 ZINC000824420646 609302070 /nfs/dbraw/zinc/30/20/70/609302070.db2.gz NBJWADMLAGMNLQ-SNVBAGLBSA-N 0 1 376.469 0.229 20 0 GCADMN C[C@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)[N@@H+](C)C1CC1 ZINC000824420646 609302072 /nfs/dbraw/zinc/30/20/72/609302072.db2.gz NBJWADMLAGMNLQ-SNVBAGLBSA-N 0 1 376.469 0.229 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000826356717 609406085 /nfs/dbraw/zinc/40/60/85/609406085.db2.gz CKZQSUXFKWPIMI-CQSZACIVSA-N 0 1 397.443 0.489 20 0 GCADMN Cn1cc(-c2nn[n-]n2)c(NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000826356717 609406086 /nfs/dbraw/zinc/40/60/86/609406086.db2.gz CKZQSUXFKWPIMI-CQSZACIVSA-N 0 1 397.443 0.489 20 0 GCADMN O=S(=O)(NC1CCN(CCO)CC1)c1ccc(-c2nn[nH]n2)cc1Cl ZINC000826488724 609550512 /nfs/dbraw/zinc/55/05/12/609550512.db2.gz XMBNPBIRLVOIMB-UHFFFAOYSA-N 0 1 386.865 0.255 20 0 GCADMN O=C1C[C@@H](CNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)CN1C1CC1 ZINC000826479328 609585912 /nfs/dbraw/zinc/58/59/12/609585912.db2.gz WQZRPFBHPZNIOC-QMMMGPOBSA-N 0 1 398.395 0.434 20 0 GCADMN COCCn1cc(CN[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cn1 ZINC000826163673 609601757 /nfs/dbraw/zinc/60/17/57/609601757.db2.gz FVWSITOCQJTDIU-QGZVFWFLSA-N 0 1 396.455 0.995 20 0 GCADMN Cc1cc(CNC(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)n[nH]1 ZINC000826267259 609605144 /nfs/dbraw/zinc/60/51/44/609605144.db2.gz YAOPNUQDNAPAAE-HNNXBMFYSA-N 0 1 395.427 0.893 20 0 GCADMN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC[S@](=O)C(C)(C)C ZINC000806196824 638450930 /nfs/dbraw/zinc/45/09/30/638450930.db2.gz PTDGQBBWDQJPIV-PWECECGKSA-N 0 1 375.535 0.219 20 0 GCADMN C[C@@](CO)(Cc1ccc(Br)cc1)NCC(=O)N1CCNC(=O)C1 ZINC000933436680 638501279 /nfs/dbraw/zinc/50/12/79/638501279.db2.gz FSTQCZOTQWSLCJ-INIZCTEOSA-N 0 1 384.274 0.291 20 0 GCADMN C[C@](CO)(Cc1ccc(Br)cc1)NCC(=O)N1CCNC(=O)C1 ZINC000933436681 638501421 /nfs/dbraw/zinc/50/14/21/638501421.db2.gz FSTQCZOTQWSLCJ-MRXNPFEDSA-N 0 1 384.274 0.291 20 0 GCADMN C[C@@H]1CN(C(=O)C2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCN1C ZINC000933559506 638505508 /nfs/dbraw/zinc/50/55/08/638505508.db2.gz OTAYKTQMKMETJG-CHWSQXEVSA-N 0 1 375.491 0.183 20 0 GCADMN 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PEMOTDHBXSEIAS-HNNXBMFYSA-N 0 1 375.535 0.664 20 0 GCADMN C[N@@H+](CCO)CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000892209905 638534415 /nfs/dbraw/zinc/53/44/15/638534415.db2.gz MCKDGWXIETYBEB-UHFFFAOYSA-N 0 1 395.257 0.976 20 0 GCADMN CN(CCO)CCNC(=O)C(=O)Nc1cnc2ccccc2c1Br ZINC000892209905 638534424 /nfs/dbraw/zinc/53/44/24/638534424.db2.gz MCKDGWXIETYBEB-UHFFFAOYSA-N 0 1 395.257 0.976 20 0 GCADMN Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCO)cc(F)c1Br ZINC000892213640 638534523 /nfs/dbraw/zinc/53/45/23/638534523.db2.gz FUYNDUOJZRKKDP-UHFFFAOYSA-N 0 1 376.226 0.875 20 0 GCADMN Cc1cc(NC(=O)C(=O)NCCN(C)CCO)cc(F)c1Br ZINC000892213640 638534533 /nfs/dbraw/zinc/53/45/33/638534533.db2.gz FUYNDUOJZRKKDP-UHFFFAOYSA-N 0 1 376.226 0.875 20 0 GCADMN CCOc1ccc(NC(=O)C(=O)NCCN(C)CCO)cc1Br ZINC000892219588 638535158 /nfs/dbraw/zinc/53/51/58/638535158.db2.gz QAAROGQHQJDFFA-UHFFFAOYSA-N 0 1 388.262 0.827 20 0 GCADMN CN1CCN(C)CCN(C(=O)c2nccn3c(Br)cnc23)CC1 ZINC000888987799 638557722 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C[N@@H+](CC(=O)[O-])[C@@H]1CN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1O ZINC000455766653 1197572957 /nfs/dbraw/zinc/57/29/57/1197572957.db2.gz HLCXASDGEDQERN-HZPDHXFCSA-N 0 1 391.468 0.302 20 0 GCADMN O=C(c1ccns1)N1C[C@H]2CN(C(=O)[C@H]3CC4CCN3CC4)C[C@@H](C1)O2 ZINC001272190950 1197575626 /nfs/dbraw/zinc/57/56/26/1197575626.db2.gz DSNSWELBWZGGTQ-QLFBSQMISA-N 0 1 376.482 0.679 20 0 GCADMN CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000428699442 1197575908 /nfs/dbraw/zinc/57/59/08/1197575908.db2.gz HMKQIASBPYMIHI-NRFANRHFSA-N 0 1 398.463 0.612 20 0 GCADMN CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000428699442 1197575911 /nfs/dbraw/zinc/57/59/11/1197575911.db2.gz HMKQIASBPYMIHI-NRFANRHFSA-N 0 1 398.463 0.612 20 0 GCADMN O=C(NCCN1CCN(Cc2ccccc2)CC1)NCCn1ccccc1=O ZINC000533889965 1197579073 /nfs/dbraw/zinc/57/90/73/1197579073.db2.gz ZEXJJUDWWCBSIU-UHFFFAOYSA-N 0 1 383.496 0.965 20 0 GCADMN Cc1[nH]c(S(=O)(=O)CC(=O)N[C@@H](C)C(=O)N(C)C)nc1Cc1ccccc1 ZINC000476021820 1197585304 /nfs/dbraw/zinc/58/53/04/1197585304.db2.gz LMGKZHSEWDQDPH-ZDUSSCGKSA-N 0 1 392.481 0.676 20 0 GCADMN CC(=O)Nc1cc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2ccn[nH]2)ccn1 ZINC000999609779 1198956485 /nfs/dbraw/zinc/95/64/85/1198956485.db2.gz YBTDHDFSQDTSEV-PMPSAXMXSA-N 0 1 382.424 0.868 20 0 GCADMN O=C(CCc1nc[nH]n1)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc3ncccn3n1)C2 ZINC000999633044 1198958619 /nfs/dbraw/zinc/95/86/19/1198958619.db2.gz WACLEQSFEDVINN-DYEKYZERSA-N 0 1 380.412 0.342 20 0 GCADMN CN1CCN(Cc2ccc(C(=O)NCC3(OCCO)CCOCC3)cc2)CC1 ZINC000282298303 1198963474 /nfs/dbraw/zinc/96/34/74/1198963474.db2.gz ZSJUMHWQURQUBD-UHFFFAOYSA-N 0 1 391.512 0.722 20 0 GCADMN CC1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@@H]2CCNC2=O)CC1 ZINC000999713290 1198965493 /nfs/dbraw/zinc/96/54/93/1198965493.db2.gz ZXYXHDJOHZKGRQ-YVSFHVDLSA-N 0 1 376.501 0.493 20 0 GCADMN Cc1nonc1CC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CN1CCC(C)CC1)C2 ZINC000999711189 1198968479 /nfs/dbraw/zinc/96/84/79/1198968479.db2.gz JXIFKYOPCMSLOT-PVAVHDDUSA-N 0 1 375.473 0.901 20 0 GCADMN CC1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CO[C@@H]2CCOC2)CC1 ZINC000999709741 1198968569 /nfs/dbraw/zinc/96/85/69/1198968569.db2.gz CKSNXRDARMMVRT-BDXSIMOUSA-N 0 1 379.501 0.772 20 0 GCADMN CC1CCN(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[C@H]2COC(=O)C2)CC1 ZINC000999710466 1198968652 /nfs/dbraw/zinc/96/86/52/1198968652.db2.gz GQGAFTYCOHUSGK-NCOADZHNSA-N 0 1 377.485 0.920 20 0 GCADMN Nc1nccnc1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCc3n[nH]nc31)C2 ZINC000999806330 1198973554 /nfs/dbraw/zinc/97/35/54/1198973554.db2.gz ICFWYTCOSNGKMM-AAXDQBDMSA-N 0 1 382.428 0.159 20 0 GCADMN Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCc4n[nH]nc42)C3)cnn1 ZINC000999806872 1198973557 /nfs/dbraw/zinc/97/35/57/1198973557.db2.gz LJVRVEISTKALCU-VRKREXBASA-N 0 1 381.440 0.885 20 0 GCADMN Cc1c(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CNC(=O)N2)C3)ccc2cncn21 ZINC000999852273 1198981042 /nfs/dbraw/zinc/98/10/42/1198981042.db2.gz LWJMHKMLBBJUIV-CAPXZKIUSA-N 0 1 382.424 0.186 20 0 GCADMN CS(=O)(=O)Nc1ccc(C(=O)NCCC(=O)NCc2cccnc2)cn1 ZINC000624731803 1198994254 /nfs/dbraw/zinc/99/42/54/1198994254.db2.gz ATJFIYTWSPUEJA-UHFFFAOYSA-N 0 1 377.426 0.284 20 0 GCADMN COCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000672003665 1198996911 /nfs/dbraw/zinc/99/69/11/1198996911.db2.gz STTQHKLVGVRLCU-KRWDZBQOSA-N 0 1 376.501 0.414 20 0 GCADMN CCN1C[C@H](CN(C)C(=O)C(=O)NCCN(C)CCOC)Oc2ccccc21 ZINC000672002399 1198996936 /nfs/dbraw/zinc/99/69/36/1198996936.db2.gz JOBZXTJYRAKVIT-INIZCTEOSA-N 0 1 392.500 0.427 20 0 GCADMN COC(=O)c1cc(CNC(=O)CN(C)c2ncnc3[nH]cnc32)ccc1OC ZINC000056108451 1199005795 /nfs/dbraw/zinc/00/57/95/1199005795.db2.gz CDFUCGABTPBSGP-UHFFFAOYSA-N 0 1 384.396 0.901 20 0 GCADMN CCN1CCN([C@@H]2CCN(C(=O)NCc3ccc4c(c3)C(=O)NCC4)C2)CC1 ZINC000542738581 1199020642 /nfs/dbraw/zinc/02/06/42/1199020642.db2.gz SOPSOKMDLYCARY-GOSISDBHSA-N 0 1 385.512 0.894 20 0 GCADMN Cc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000624742221 1199026224 /nfs/dbraw/zinc/02/62/24/1199026224.db2.gz BYCXKQNRHAHZRF-HNNXBMFYSA-N 0 1 381.498 0.969 20 0 GCADMN CN1CCN(c2ncccc2CNC(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000542759118 1199027448 /nfs/dbraw/zinc/02/74/48/1199027448.db2.gz PEHPPXMDLVMXFT-HNNXBMFYSA-N 0 1 381.502 0.210 20 0 GCADMN CN(C)C(=O)[C@H]1COCCC12CN(C(=O)CSc1n[nH]c(=S)s1)C2 ZINC001272864791 1199037864 /nfs/dbraw/zinc/03/78/64/1199037864.db2.gz KZHSUJUQVLEDIJ-SECBINFHSA-N 0 1 388.540 0.872 20 0 GCADMN O=C(CSc1n[nH]c(=S)s1)N1CC[C@H]2C[C@]21C(=O)Nc1nnco1 ZINC001272864640 1199037922 /nfs/dbraw/zinc/03/79/22/1199037922.db2.gz OCMFOKBPADMIMG-PWCHPLFNSA-N 0 1 384.468 0.932 20 0 GCADMN COCCN(C)C(=O)[C@H]1CC12CN(C(=O)CSc1n[nH]c(=S)s1)C2 ZINC001272864399 1199037939 /nfs/dbraw/zinc/03/79/39/1199037939.db2.gz DSPCWVFALWOKLR-SECBINFHSA-N 0 1 388.540 0.872 20 0 GCADMN C[C@@H]1Cc2nnc(C(N)=O)n2CCN1C(=O)CSc1n[nH]c(=S)s1 ZINC001272864151 1199039842 /nfs/dbraw/zinc/03/98/42/1199039842.db2.gz BGWXMAMOYKJWGM-ZCFIWIBFSA-N 0 1 385.500 0.083 20 0 GCADMN CN(C)C(=O)c1nnc2n1CCN(C(=O)CSc1n[nH]c(=S)s1)C2 ZINC001272864115 1199040116 /nfs/dbraw/zinc/04/01/16/1199040116.db2.gz ARBIZBIRDAZXCQ-UHFFFAOYSA-N 0 1 385.500 0.255 20 0 GCADMN CN1CCN(c2cccc(C(=O)N[C@@H]3CCS(=O)(=O)C(C)(C)C3)n2)CC1 ZINC000888386999 1199054084 /nfs/dbraw/zinc/05/40/84/1199054084.db2.gz LLLRUUGXRUWGMA-CQSZACIVSA-N 0 1 380.514 0.919 20 0 GCADMN Cc1nn2cc(CC(=O)N3CCN(C)C[C@]4(CCCC(=O)N4)C3)nc2s1 ZINC001272883920 1199055765 /nfs/dbraw/zinc/05/57/65/1199055765.db2.gz LIYCFZVBMMZXRA-QGZVFWFLSA-N 0 1 376.486 0.455 20 0 GCADMN CNC(=O)[C@H](C)N1CCC(C2(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)CC1 ZINC001000220934 1199059955 /nfs/dbraw/zinc/05/99/55/1199059955.db2.gz VTQRRSZPAZQRLQ-NXNVCVFFSA-N 0 1 379.501 0.533 20 0 GCADMN C[C@H](c1ccccc1)[C@@H](NCC(=O)N1CCN(c2cnccn2)CC1)C(N)=O ZINC000428835759 1199061746 /nfs/dbraw/zinc/06/17/46/1199061746.db2.gz RWAFJLVWHKDPFL-DNVCBOLYSA-N 0 1 382.468 0.372 20 0 GCADMN CN(C)C(=O)c1cccc(CNCCS(=O)(=O)NC[C@@H]2CCCCO2)c1 ZINC000921726042 1199070800 /nfs/dbraw/zinc/07/08/00/1199070800.db2.gz QIJZYDHYNBJPDJ-KRWDZBQOSA-N 0 1 383.514 0.967 20 0 GCADMN C[C@H](c1ccccc1)[C@H](NCC(=O)N1CCN(C(=O)c2ccco2)CC1)C(N)=O ZINC000428837429 1199074394 /nfs/dbraw/zinc/07/43/94/1199074394.db2.gz FHRJPZVUJQHEAZ-BEFAXECRSA-N 0 1 398.463 0.811 20 0 GCADMN CC(C)c1nnc2n1C[C@H](NC(=O)C(=O)N1CCN(C3CCCC3)CC1)CC2 ZINC000672084420 1199078112 /nfs/dbraw/zinc/07/81/12/1199078112.db2.gz UNWIHTOSGKBSNK-OAHLLOKOSA-N 0 1 388.516 0.919 20 0 GCADMN Cn1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)ccc1=O ZINC000542876152 1199086638 /nfs/dbraw/zinc/08/66/38/1199086638.db2.gz CDZNJKNUNNDPGG-DLBZAZTESA-N 0 1 384.436 0.075 20 0 GCADMN CCC(C)(C)N1CCN(C(=O)C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 ZINC000656080335 1199094558 /nfs/dbraw/zinc/09/45/58/1199094558.db2.gz SNUPDMNTWRUCET-HNNXBMFYSA-N 0 1 379.505 0.382 20 0 GCADMN COC(=O)CCN1CCN(CCC(=O)Nc2sccc2C(N)=O)[C@@H](C)C1 ZINC001168667525 1199107797 /nfs/dbraw/zinc/10/77/97/1199107797.db2.gz RNJOQIHAJSBRSW-LBPRGKRZSA-N 0 1 382.486 0.745 20 0 GCADMN Cc1noc(C)c1[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000672111391 1199111659 /nfs/dbraw/zinc/11/16/59/1199111659.db2.gz DKBPHDNPGYUJPG-DOMZBBRYSA-N 0 1 393.488 0.528 20 0 GCADMN CC(C)CC(=O)Nc1cccc(CNC(=O)C(=O)NC[C@H]2COCCN2)c1 ZINC000627302419 1199116544 /nfs/dbraw/zinc/11/65/44/1199116544.db2.gz LHBKJTBHXYANBI-INIZCTEOSA-N 0 1 376.457 0.392 20 0 GCADMN O=C(NCCCC1CCCC1)C(=O)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000627303220 1199119294 /nfs/dbraw/zinc/11/92/94/1199119294.db2.gz LBLIFOWPDQEFGL-UHFFFAOYSA-N 0 1 379.505 0.242 20 0 GCADMN CC(C)CCNC(=O)[C@@H](C)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 ZINC000061307034 1199123934 /nfs/dbraw/zinc/12/39/34/1199123934.db2.gz KNDOAWKUKZFSCK-OAHLLOKOSA-N 0 1 380.533 0.973 20 0 GCADMN COCCN(C)CCNC(=O)C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 ZINC000265755508 1199124580 /nfs/dbraw/zinc/12/45/80/1199124580.db2.gz GZDPKNPNTLLCCP-OAHLLOKOSA-N 0 1 378.473 0.545 20 0 GCADMN CCn1nncc1CNC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CCCO1 ZINC001078431216 1199128704 /nfs/dbraw/zinc/12/87/04/1199128704.db2.gz LHZLFFLBUYBPSY-ZXXIGWHRSA-N 0 1 375.473 0.429 20 0 GCADMN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N1CCCO[C@@H](CNCc2ccccn2)C1 ZINC001078434436 1199129279 /nfs/dbraw/zinc/12/92/79/1199129279.db2.gz GZJHJGDBGRMOJE-DSLXNQLJSA-N 0 1 375.469 0.840 20 0 GCADMN COc1ccc(CNC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CCCO2)nn1 ZINC001078475173 1199130635 /nfs/dbraw/zinc/13/06/35/1199130635.db2.gz GZXUEZVBQQOVIJ-VQHPVUNQSA-N 0 1 376.457 0.760 20 0 GCADMN C[C@H](CCNCc1nnc2n1CCCC2)NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001272928288 1199132604 /nfs/dbraw/zinc/13/26/04/1199132604.db2.gz YQRSWJKBKVQXBS-LDDOYCOJSA-N 0 1 377.489 0.650 20 0 GCADMN CCN1C[C@H](C)N(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C[C@@H]1C ZINC000765939844 1199135237 /nfs/dbraw/zinc/13/52/37/1199135237.db2.gz JVCMQIWEFNJCAB-MELADBBJSA-N 0 1 384.502 0.093 20 0 GCADMN 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GCADMN C[NH+]1CCC(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571265039 945496578 /nfs/dbraw/zinc/49/65/78/945496578.db2.gz BEPIFCBJIGMIHZ-GOSISDBHSA-N 0 1 385.476 0.649 20 0 GCADMN C[NH+]1CCC(C(=O)N2CC[C@](C)(CNc3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571265039 945496586 /nfs/dbraw/zinc/49/65/86/945496586.db2.gz BEPIFCBJIGMIHZ-GOSISDBHSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(c3nccnc3-c3nnn[n-]3)C2)CC1 ZINC001571264971 945498168 /nfs/dbraw/zinc/49/81/68/945498168.db2.gz ADJXHZKWWIKOIS-CQSZACIVSA-N 0 1 385.476 0.472 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCN(c3nccnc3-c3nn[n-]n3)C2)CC1 ZINC001571264971 945498174 /nfs/dbraw/zinc/49/81/74/945498174.db2.gz ADJXHZKWWIKOIS-CQSZACIVSA-N 0 1 385.476 0.472 20 0 GCADMN CN(c1cnc(-c2nn[n-]n2)cn1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001571265087 945498744 /nfs/dbraw/zinc/49/87/44/945498744.db2.gz BUQBALJWWYMDMG-ZDUSSCGKSA-N 0 1 385.476 0.568 20 0 GCADMN CN(CC1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571265081 945499247 /nfs/dbraw/zinc/49/92/47/945499247.db2.gz BTMKGPZNCFEQCH-UHFFFAOYSA-N 0 1 385.476 0.427 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265116 945499418 /nfs/dbraw/zinc/49/94/18/945499418.db2.gz DFCFQXBMWLOJGC-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265116 945499424 /nfs/dbraw/zinc/49/94/24/945499424.db2.gz DFCFQXBMWLOJGC-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265116 945499426 /nfs/dbraw/zinc/49/94/26/945499426.db2.gz DFCFQXBMWLOJGC-UONOGXRCSA-N 0 1 385.476 0.616 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571265045 945500198 /nfs/dbraw/zinc/50/01/98/945500198.db2.gz CVRIERSMEOIGMJ-CQSZACIVSA-N 0 1 385.476 0.936 20 0 GCADMN O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](Nc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571265045 945500201 /nfs/dbraw/zinc/50/02/01/945500201.db2.gz CVRIERSMEOIGMJ-CQSZACIVSA-N 0 1 385.476 0.936 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC[N@@H+]1C ZINC001571265190 945501289 /nfs/dbraw/zinc/50/12/89/945501289.db2.gz GMXAOEOFPCVTKD-IHRRRGAJSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)CC[N@H+]1C ZINC001571265190 945501300 /nfs/dbraw/zinc/50/13/00/945501300.db2.gz GMXAOEOFPCVTKD-IHRRRGAJSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC[N@@H+]1C ZINC001571265190 945501308 /nfs/dbraw/zinc/50/13/08/945501308.db2.gz GMXAOEOFPCVTKD-IHRRRGAJSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571265190 945501317 /nfs/dbraw/zinc/50/13/17/945501317.db2.gz GMXAOEOFPCVTKD-IHRRRGAJSA-N 0 1 385.476 0.472 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571265166 945501460 /nfs/dbraw/zinc/50/14/60/945501460.db2.gz FMOFAJOWVXRCJO-HNNXBMFYSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N1CCC(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001571265166 945501464 /nfs/dbraw/zinc/50/14/64/945501464.db2.gz FMOFAJOWVXRCJO-HNNXBMFYSA-N 0 1 385.476 0.792 20 0 GCADMN CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001571265192 945501933 /nfs/dbraw/zinc/50/19/33/945501933.db2.gz GPJBKEVRMBTANK-KGLIPLIRSA-N 0 1 385.476 0.568 20 0 GCADMN CN(c1nccnc1-c1nn[n-]n1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001571265192 945501940 /nfs/dbraw/zinc/50/19/40/945501940.db2.gz GPJBKEVRMBTANK-KGLIPLIRSA-N 0 1 385.476 0.568 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265240 945503891 /nfs/dbraw/zinc/50/38/91/945503891.db2.gz DEVCQNYXYGJBRH-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265240 945503899 /nfs/dbraw/zinc/50/38/99/945503899.db2.gz DEVCQNYXYGJBRH-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265240 945503903 /nfs/dbraw/zinc/50/39/03/945503903.db2.gz DEVCQNYXYGJBRH-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265240 945503908 /nfs/dbraw/zinc/50/39/08/945503908.db2.gz DEVCQNYXYGJBRH-KGLIPLIRSA-N 0 1 385.476 0.792 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNc3ccnc(-c4nnn[n-]4)n3)C2)CC[N@H+]1C ZINC001571265278 945505212 /nfs/dbraw/zinc/50/52/12/945505212.db2.gz FTHRIUDGQRBDQJ-MELADBBJSA-N 0 1 385.476 0.069 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC[N@@H+]1C ZINC001571265278 945505218 /nfs/dbraw/zinc/50/52/18/945505218.db2.gz FTHRIUDGQRBDQJ-MELADBBJSA-N 0 1 385.476 0.069 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571265278 945505224 /nfs/dbraw/zinc/50/52/24/945505224.db2.gz FTHRIUDGQRBDQJ-MELADBBJSA-N 0 1 385.476 0.069 20 0 GCADMN C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265339 945507504 /nfs/dbraw/zinc/50/75/04/945507504.db2.gz HQIAHLJKOVFBHL-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](Nc2cnc(-c3nnn[n-]3)cn2)C1 ZINC001571265339 945507512 /nfs/dbraw/zinc/50/75/12/945507512.db2.gz HQIAHLJKOVFBHL-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265339 945507528 /nfs/dbraw/zinc/50/75/28/945507528.db2.gz HQIAHLJKOVFBHL-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[N@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265339 945507532 /nfs/dbraw/zinc/50/75/32/945507532.db2.gz HQIAHLJKOVFBHL-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265542 945514811 /nfs/dbraw/zinc/51/48/11/945514811.db2.gz HWLRKVSGFJXKHW-XUXIUFHCSA-N 0 1 385.476 0.836 20 0 GCADMN C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265542 945514813 /nfs/dbraw/zinc/51/48/13/945514813.db2.gz HWLRKVSGFJXKHW-XUXIUFHCSA-N 0 1 385.476 0.836 20 0 GCADMN C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265539 945514829 /nfs/dbraw/zinc/51/48/29/945514829.db2.gz HWLRKVSGFJXKHW-SYQHCUMBSA-N 0 1 385.476 0.836 20 0 GCADMN C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265539 945514843 /nfs/dbraw/zinc/51/48/43/945514843.db2.gz HWLRKVSGFJXKHW-SYQHCUMBSA-N 0 1 385.476 0.836 20 0 GCADMN C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001571265746 945517822 /nfs/dbraw/zinc/51/78/22/945517822.db2.gz JMLQZLDNPOOFNP-QWHCGFSZSA-N 0 1 385.476 0.932 20 0 GCADMN C[C@H]1C[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571265746 945517829 /nfs/dbraw/zinc/51/78/29/945517829.db2.gz JMLQZLDNPOOFNP-QWHCGFSZSA-N 0 1 385.476 0.932 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001571265732 945518393 /nfs/dbraw/zinc/51/83/93/945518393.db2.gz JGHRRNAUFQAMGX-QWHCGFSZSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001571265732 945518402 /nfs/dbraw/zinc/51/84/02/945518402.db2.gz JGHRRNAUFQAMGX-QWHCGFSZSA-N 0 1 385.476 0.790 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001571265712 945519551 /nfs/dbraw/zinc/51/95/51/945519551.db2.gz IXJAWGSTZBOFCO-HIFRSBDPSA-N 0 1 385.476 0.568 20 0 GCADMN CN(C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C)c1cncc(-c2nn[n-]n2)n1 ZINC001571265712 945519555 /nfs/dbraw/zinc/51/95/55/945519555.db2.gz IXJAWGSTZBOFCO-HIFRSBDPSA-N 0 1 385.476 0.568 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nnn[n-]2)CC1 ZINC001571265792 945521249 /nfs/dbraw/zinc/52/12/49/945521249.db2.gz KLVPPPBTZNSUAD-CQSZACIVSA-N 0 1 385.476 0.792 20 0 GCADMN CC1CC[NH+](CC(=O)N2CCC[C@@H]2CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571265792 945521256 /nfs/dbraw/zinc/52/12/56/945521256.db2.gz KLVPPPBTZNSUAD-CQSZACIVSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265904 945523711 /nfs/dbraw/zinc/52/37/11/945523711.db2.gz KQVNLVWKTRAQRO-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265904 945523717 /nfs/dbraw/zinc/52/37/17/945523717.db2.gz KQVNLVWKTRAQRO-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265897 945524633 /nfs/dbraw/zinc/52/46/33/945524633.db2.gz SGPDVKVTQUKSHZ-DZGCQCFKSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265897 945524640 /nfs/dbraw/zinc/52/46/40/945524640.db2.gz SGPDVKVTQUKSHZ-DZGCQCFKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nn2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001571265943 945525663 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CC(=O)N[C@](C)(C(=O)N(C)C[C@@H](C)Nc1ccncc1-c1nn[nH]n1)C(C)C ZINC001573454253 945871039 /nfs/dbraw/zinc/87/10/39/945871039.db2.gz VKCFOUZVPYGNGY-XIKOKIGWSA-N 0 1 388.476 0.493 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573455251 945879594 /nfs/dbraw/zinc/87/95/94/945879594.db2.gz AOLUSKLNVVUKGW-LBPRGKRZSA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573455251 945879607 /nfs/dbraw/zinc/87/96/07/945879607.db2.gz AOLUSKLNVVUKGW-LBPRGKRZSA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)[C@H](C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[n-]n3)n2)C1)[NH+](C)C ZINC001571283901 945893850 /nfs/dbraw/zinc/89/38/50/945893850.db2.gz KOGOSDYPHAWKCB-RDTXWAMCSA-N 0 1 387.492 0.315 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(N[C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)n1 ZINC001571284365 945899478 /nfs/dbraw/zinc/89/94/78/945899478.db2.gz OIWVVTDOHVDZEE-DZGCQCFKSA-N 0 1 387.492 0.954 20 0 GCADMN 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/nfs/dbraw/zinc/93/45/71/945934571.db2.gz DJUCCNXXGFIDME-LURJTMIESA-N 0 1 386.869 0.808 20 0 GCADMN CN(C(=O)C1=COCCO1)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571286111 945936890 /nfs/dbraw/zinc/93/68/90/945936890.db2.gz YDCCPPXKVVDVPW-CYBMUJFWSA-N 0 1 388.403 0.927 20 0 GCADMN NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)o2)C[C@H]1c1ccccc1 ZINC001571286616 945952397 /nfs/dbraw/zinc/95/23/97/945952397.db2.gz MKLTUUUZTCWMSJ-NWDGAFQWSA-N 0 1 388.409 0.349 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001573464975 945971154 /nfs/dbraw/zinc/97/11/54/945971154.db2.gz SYHCJPOLMZFOON-HUUCEWRRSA-N 0 1 386.460 0.438 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573467333 945976893 /nfs/dbraw/zinc/97/68/93/945976893.db2.gz BUTNMOYMTOHURL-OIKLOGQESA-N 0 1 377.474 0.532 20 0 GCADMN CC(=O)N[C@H](C)C(=O)N(C)C1CC([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573467333 945976897 /nfs/dbraw/zinc/97/68/97/945976897.db2.gz 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AJMXVJATDFPOKE-BQBZGAKWSA-N 0 1 386.869 0.665 20 0 GCADMN CN1CCC[C@H]1C(=O)NC[C@H]1CN(c2cccc(F)c2-c2nn[nH]n2)CCO1 ZINC001571293439 946106650 /nfs/dbraw/zinc/10/66/50/946106650.db2.gz ILNJHMKEWRFDMM-WFASDCNBSA-N 0 1 389.435 0.421 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@H]1CCN(c2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573476028 946111244 /nfs/dbraw/zinc/11/12/44/946111244.db2.gz CHVDSRYONPIGQB-XPUUQOCRSA-N 0 1 384.853 0.196 20 0 GCADMN CC(=O)N[C@@H](C)C(=O)N[C@H](CNc1cc(C)[nH+]cc1-c1nnn[n-]1)CC(C)C ZINC001573476156 946114544 /nfs/dbraw/zinc/11/45/44/946114544.db2.gz CWSBLSXDIQKUQB-JSGCOSHPSA-N 0 1 388.476 0.459 20 0 GCADMN CC(=O)N[C@H](C)C(=O)NC1CC2(C1)CC(Nc1ccncc1-c1nn[nH]n1)C2 ZINC001573476364 946116116 /nfs/dbraw/zinc/11/61/16/946116116.db2.gz FWHLBBVCBCIJLQ-IHUQTEBDSA-N 0 1 384.444 0.048 20 0 GCADMN CC[C@@H](F)C(=O)N1CCN([C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001571293831 946117609 /nfs/dbraw/zinc/11/76/09/946117609.db2.gz SUISTENYRGIHTP-QWHCGFSZSA-N 0 1 389.439 0.128 20 0 GCADMN 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CYESXSXTNMJBQB-SWLSCSKDSA-N 0 1 386.460 0.522 20 0 GCADMN Cc1onc(CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1-c1nnn[n-]1 ZINC000826344209 948001545 /nfs/dbraw/zinc/00/15/45/948001545.db2.gz AMOAMKHTCQLCGI-MRVWCRGKSA-N 0 1 375.433 0.416 20 0 GCADMN Cc1onc(CC(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1-c1nn[n-]n1 ZINC000826344209 948001551 /nfs/dbraw/zinc/00/15/51/948001551.db2.gz AMOAMKHTCQLCGI-MRVWCRGKSA-N 0 1 375.433 0.416 20 0 GCADMN Cc1onc(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1-c1nnn[n-]1 ZINC000826344206 948002326 /nfs/dbraw/zinc/00/23/26/948002326.db2.gz AMOAMKHTCQLCGI-FPMFFAJLSA-N 0 1 375.433 0.416 20 0 GCADMN Cc1onc(CC(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1-c1nn[n-]n1 ZINC000826344206 948002332 /nfs/dbraw/zinc/00/23/32/948002332.db2.gz AMOAMKHTCQLCGI-FPMFFAJLSA-N 0 1 375.433 0.416 20 0 GCADMN C[C@@H](C(=O)NC1(CNc2ccnc(-c3nn[nH]n3)n2)CCCC1)n1cccc1 ZINC001573658291 948009133 /nfs/dbraw/zinc/00/91/33/948009133.db2.gz RUCIBAVNUFTSIW-ZDUSSCGKSA-N 0 1 381.444 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ZINC001573405878 948049102 /nfs/dbraw/zinc/04/91/02/948049102.db2.gz XVCRFCVDPNVCMF-CQSZACIVSA-N 0 1 389.435 0.565 20 0 GCADMN CC(=O)N(C)CC(=O)N[C@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573406403 948051157 /nfs/dbraw/zinc/05/11/57/948051157.db2.gz FGBKDAIYQWEYQK-HDJSIYSDSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N(C)CC(=O)NC[C@H]1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573406612 948056368 /nfs/dbraw/zinc/05/63/68/948056368.db2.gz NSYHBNRGIRFJMG-UONOGXRCSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCCN(Cc2cccc(-c3nn[nH]n3)c2)C1)n1cncn1 ZINC001573664523 948056439 /nfs/dbraw/zinc/05/64/39/948056439.db2.gz FJXFUMINJPBFDO-CJNGLKHVSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@H](C(=O)NC1CC1)N(C)C[C@@H]1CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573664706 948059634 /nfs/dbraw/zinc/05/96/34/948059634.db2.gz XEOJUTFUHAJPKW-RISCZKNCSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573664901 948065570 /nfs/dbraw/zinc/06/55/70/948065570.db2.gz YXPSFAVUTSSMCX-UNXYVOJBSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573664901 948065579 /nfs/dbraw/zinc/06/55/79/948065579.db2.gz YXPSFAVUTSSMCX-UNXYVOJBSA-N 0 1 387.473 0.765 20 0 GCADMN CC(=O)N(C)c1ccc(CNS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)cc1 ZINC001573408477 948065596 /nfs/dbraw/zinc/06/55/96/948065596.db2.gz HBVHTDPZJMPZTE-UHFFFAOYSA-N 0 1 376.398 0.921 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573414017 948087468 /nfs/dbraw/zinc/08/74/68/948087468.db2.gz INYUCVKOHVKVRM-CYBMUJFWSA-N 0 1 389.485 0.487 20 0 GCADMN CC(=O)N1CC(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573414017 948087476 /nfs/dbraw/zinc/08/74/76/948087476.db2.gz INYUCVKOHVKVRM-CYBMUJFWSA-N 0 1 389.485 0.487 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573666479 948087549 /nfs/dbraw/zinc/08/75/49/948087549.db2.gz TYUWXORATLBPPF-STQMWFEESA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cccnc1 ZINC001573667138 948095380 /nfs/dbraw/zinc/09/53/80/948095380.db2.gz YEJVVBDPYDSLGB-OCCSQVGLSA-N 0 1 379.428 0.940 20 0 GCADMN Cn1c2ccc(S(=O)(=O)Nc3ccccc3-c3nn[nH]n3)cc2n(C)c1=O ZINC000826354551 948105951 /nfs/dbraw/zinc/10/59/51/948105951.db2.gz JWWJCKMGABUKIE-UHFFFAOYSA-N 0 1 385.409 0.858 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573671360 948106275 /nfs/dbraw/zinc/10/62/75/948106275.db2.gz FGPUUKQOKQDFLU-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)[C@H]2C)C1 ZINC001573415408 948109425 /nfs/dbraw/zinc/10/94/25/948109425.db2.gz ZTAAFFPIBTYEIS-YGRLFVJLSA-N 0 1 389.485 0.486 20 0 GCADMN CC(=O)N1CC(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)[C@H]2C)C1 ZINC001573415408 948109434 /nfs/dbraw/zinc/10/94/34/948109434.db2.gz ZTAAFFPIBTYEIS-YGRLFVJLSA-N 0 1 389.485 0.486 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@H](C)NCc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573417719 948112261 /nfs/dbraw/zinc/11/22/61/948112261.db2.gz AATSULBBPJCQQT-JTQLQIEISA-N 0 1 375.408 0.078 20 0 GCADMN Cn1cc([C@H](O)C[C@H]2CCCN2[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826359260 948114656 /nfs/dbraw/zinc/11/46/56/948114656.db2.gz AXUMBEAHBMRQTF-BRWVUGGUSA-N 0 1 396.455 0.715 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573419832 948129305 /nfs/dbraw/zinc/12/93/05/948129305.db2.gz TYROTJUTFSUZBJ-RYUDHWBXSA-N 0 1 386.460 0.166 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573419895 948130348 /nfs/dbraw/zinc/13/03/48/948130348.db2.gz VBLAKUUSACVUQQ-GHMZBOCLSA-N 0 1 391.501 0.779 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573419895 948130352 /nfs/dbraw/zinc/13/03/52/948130352.db2.gz VBLAKUUSACVUQQ-GHMZBOCLSA-N 0 1 391.501 0.779 20 0 GCADMN C[C@H](C(=O)NCC(=O)c1cc2c(s1)CCCC2)n1cnc(-c2nn[nH]n2)n1 ZINC001573677366 948136514 /nfs/dbraw/zinc/13/65/14/948136514.db2.gz CYGLFMCMUZORFL-SECBINFHSA-N 0 1 386.441 0.959 20 0 GCADMN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)n1cncn1 ZINC001573677482 948138542 /nfs/dbraw/zinc/13/85/42/948138542.db2.gz AXHXFWXMOJPZOP-ZWNOBZJWSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)n1cncn1 ZINC001573677482 948138548 /nfs/dbraw/zinc/13/85/48/948138548.db2.gz AXHXFWXMOJPZOP-ZWNOBZJWSA-N 0 1 387.473 0.765 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C2CC2)C1 ZINC001573421473 948138631 /nfs/dbraw/zinc/13/86/31/948138631.db2.gz GJNCEQPAGKIPQS-AWEZNQCLSA-N 0 1 389.485 0.391 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C2CC2)C1 ZINC001573421473 948138636 /nfs/dbraw/zinc/13/86/36/948138636.db2.gz GJNCEQPAGKIPQS-AWEZNQCLSA-N 0 1 389.485 0.391 20 0 GCADMN C[C@H](C(=O)N[C@H]1CCN(c2cnc(-c3nn[n-]n3)cn2)C1)[NH+]1CCCCCC1 ZINC001573677552 948140163 /nfs/dbraw/zinc/14/01/63/948140163.db2.gz XRAUQMCLMJYEHO-KGLIPLIRSA-N 0 1 385.476 0.616 20 0 GCADMN CC(=O)N1CC(C(=O)NCC2(Nc3ccncc3-c3nn[nH]n3)CCCC2)C1 ZINC001573422411 948141681 /nfs/dbraw/zinc/14/16/81/948141681.db2.gz LBOGDCHTUOLXLH-UHFFFAOYSA-N 0 1 384.444 0.003 20 0 GCADMN CC(=O)N1CC(C(=O)NCCCNc2nc(-c3nn[nH]n3)c(Cl)s2)C1 ZINC001573423911 948145580 /nfs/dbraw/zinc/14/55/80/948145580.db2.gz RDJKZZKJQKFMDU-UHFFFAOYSA-N 0 1 384.853 0.373 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C)n1cccn1 ZINC001573678398 948150717 /nfs/dbraw/zinc/15/07/17/948150717.db2.gz HLLZAGHQRLCEFO-RYUDHWBXSA-N 0 1 382.432 0.445 20 0 GCADMN C[C@H](C(=O)NC[C@H](C)N(C)c1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCCCC1 ZINC001573679226 948160007 /nfs/dbraw/zinc/16/00/07/948160007.db2.gz JZGZIKNNAHBYGO-UONOGXRCSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001573679225 948160074 /nfs/dbraw/zinc/16/00/74/948160074.db2.gz JZGZIKNNAHBYGO-KGLIPLIRSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@H](C(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCCCC1 ZINC001573679193 948160118 /nfs/dbraw/zinc/16/01/18/948160118.db2.gz JUCPYEWCYMDOLO-UONOGXRCSA-N 0 1 387.492 0.862 20 0 GCADMN CC(=O)N1CCC(C(=O)NC[C@@H](C)CNc2ccncc2-c2nn[nH]n2)CC1 ZINC001573429713 948172503 /nfs/dbraw/zinc/17/25/03/948172503.db2.gz LAFUSOMQDFALSO-LBPRGKRZSA-N 0 1 386.460 0.106 20 0 GCADMN CC(=O)N1CCC(C(=O)N[C@H]2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CC1 ZINC001573430511 948176150 /nfs/dbraw/zinc/17/61/50/948176150.db2.gz PJRXGOVMWQPZEB-OKILXGFUSA-N 0 1 384.444 0.001 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573432882 948195275 /nfs/dbraw/zinc/19/52/75/948195275.db2.gz HWWPBIBRCKYRJY-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573432882 948195279 /nfs/dbraw/zinc/19/52/79/948195279.db2.gz HWWPBIBRCKYRJY-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN CC(C)[C@H](CNC(=O)[C@@H](C)c1cnn(C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001573681378 948201751 /nfs/dbraw/zinc/20/17/51/948201751.db2.gz VESUNGVANIPMLD-AAEUAGOBSA-N 0 1 384.448 0.169 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)N(C)[C@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573433416 948201950 /nfs/dbraw/zinc/20/19/50/948201950.db2.gz KXAIBADGVBHSPN-KZULUSFZSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N1CC[C@@](C)(C(=O)NC[C@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573434179 948210060 /nfs/dbraw/zinc/21/00/60/948210060.db2.gz ORFCQTYWZCTVCJ-KZULUSFZSA-N 0 1 386.460 0.106 20 0 GCADMN C[C@H](C(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)c1cccnc1 ZINC001573681865 948215250 /nfs/dbraw/zinc/21/52/50/948215250.db2.gz YFVIUJMIVWVDLO-FZMZJTMJSA-N 0 1 379.428 0.584 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573434658 948216525 /nfs/dbraw/zinc/21/65/25/948216525.db2.gz SBAXLAKRZZNMPJ-XIKOKIGWSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@@H](C(=O)NCC1(NC(=O)OC(C)(C)C)CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573690305 948225276 /nfs/dbraw/zinc/22/52/76/948225276.db2.gz CVCLXIZXWHMXTQ-VIFPVBQESA-N 0 1 377.409 0.193 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)n1cccn1 ZINC001573690786 948229935 /nfs/dbraw/zinc/22/99/35/948229935.db2.gz BHTGDIOYAMVYGL-GFCCVEGCSA-N 0 1 382.432 0.377 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@@H](C)CCNc2ccncc2-c2nn[nH]n2)C1 ZINC001573435528 948230881 /nfs/dbraw/zinc/23/08/81/948230881.db2.gz YCAMAWIIHMXTBA-SGTLLEGYSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)n1cncn1 ZINC001573692290 948261060 /nfs/dbraw/zinc/26/10/60/948261060.db2.gz NUCRHKHPBFTFEY-GFCCVEGCSA-N 0 1 382.432 0.377 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000826425202 948274420 /nfs/dbraw/zinc/27/44/20/948274420.db2.gz UBXVVZCTZRZZBO-JOYOIKCWSA-N 0 1 376.327 0.071 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573441810 948277378 /nfs/dbraw/zinc/27/73/78/948277378.db2.gz CAXBAYXLKCRZPF-GXTWGEPZSA-N 0 1 386.460 0.167 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCCC1)n1cccc1 ZINC001573693303 948280756 /nfs/dbraw/zinc/28/07/56/948280756.db2.gz WFQRYWXBKZLHTO-ZDUSSCGKSA-N 0 1 381.444 0.982 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573693406 948281951 /nfs/dbraw/zinc/28/19/51/948281951.db2.gz XMWJCYGUPNFETC-DGCLKSJQSA-N 0 1 384.444 0.049 20 0 GCADMN C[C@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCC1)[C@H]1CCC(=O)N1 ZINC001573693407 948282369 /nfs/dbraw/zinc/28/23/69/948282369.db2.gz XMWJCYGUPNFETC-WCQYABFASA-N 0 1 384.444 0.049 20 0 GCADMN CC(=O)N1CCCC[C@@H]1CNC(=O)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573442307 948291698 /nfs/dbraw/zinc/29/16/98/948291698.db2.gz VGCONAYDKWZBGX-CQSZACIVSA-N 0 1 386.460 0.311 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NCCN(C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573442490 948294258 /nfs/dbraw/zinc/29/42/58/948294258.db2.gz IHXRVBITTAHMAT-QGZVFWFLSA-N 0 1 385.472 0.673 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001573444139 948313640 /nfs/dbraw/zinc/31/36/40/948313640.db2.gz RRCKFCBPZSSWSQ-WCQYABFASA-N 0 1 391.501 0.781 20 0 GCADMN CC(=O)N1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001573444139 948313649 /nfs/dbraw/zinc/31/36/49/948313649.db2.gz RRCKFCBPZSSWSQ-WCQYABFASA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nnn[n-]2)CC1)[NH+]1CCCCCC1 ZINC001573696109 948315074 /nfs/dbraw/zinc/31/50/74/948315074.db2.gz LFWVPXAOAOGPII-ZDUSSCGKSA-N 0 1 385.476 0.982 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2nccnc2-c2nn[n-]n2)CC1)[NH+]1CCCCCC1 ZINC001573696109 948315089 /nfs/dbraw/zinc/31/50/89/948315089.db2.gz LFWVPXAOAOGPII-ZDUSSCGKSA-N 0 1 385.476 0.982 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1cccnc1 ZINC001573696185 948318306 /nfs/dbraw/zinc/31/83/06/948318306.db2.gz LVFUVFKLOBUVKG-CYUUQNCZSA-N 0 1 391.439 0.654 20 0 GCADMN C[C@@H](C(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1ccco1 ZINC001573696209 948320211 /nfs/dbraw/zinc/32/02/11/948320211.db2.gz MCCMTTRXJLWPNU-DIFFPNOSSA-N 0 1 384.400 0.111 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NCC[C@@H](C)Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573445257 948321164 /nfs/dbraw/zinc/32/11/64/948321164.db2.gz ZBKNLOTYTWOMNX-OCCSQVGLSA-N 0 1 386.460 0.249 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)NC[C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573445289 948323624 /nfs/dbraw/zinc/32/36/24/948323624.db2.gz ZNHYLERJUOYPPI-OCCSQVGLSA-N 0 1 386.460 0.167 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573446279 948327185 /nfs/dbraw/zinc/32/71/85/948327185.db2.gz CNSACVBLWOQGHB-HZPDHXFCSA-N 0 1 384.444 0.001 20 0 GCADMN CC(=O)NCC[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)[O-] ZINC001602758099 971474945 /nfs/dbraw/zinc/47/49/45/971474945.db2.gz VVFWWTRMTYDUSR-HNNXBMFYSA-N 0 1 391.472 0.032 20 0 GCADMN O=C1[C@H](N2CC[C@@H](N3CCOCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476586 948383877 /nfs/dbraw/zinc/38/38/77/948383877.db2.gz KSQBWGFNLZCIIS-QZTJIDSGSA-N 0 1 397.483 0.769 20 0 GCADMN O=C1[C@@H](N2CC[C@@H](N3CCOCC3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476585 948383947 /nfs/dbraw/zinc/38/39/47/948383947.db2.gz KSQBWGFNLZCIIS-MSOLQXFVSA-N 0 1 397.483 0.769 20 0 GCADMN C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001573704974 948386373 /nfs/dbraw/zinc/38/63/73/948386373.db2.gz FMJYWLOFOKMPEY-OCCSQVGLSA-N 0 1 386.460 0.804 20 0 GCADMN O=C1[C@H](N2CCC(OCCO)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477146 948387452 /nfs/dbraw/zinc/38/74/52/948387452.db2.gz WLYNSSNMLFYYMG-QGZVFWFLSA-N 0 1 386.456 0.835 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCCN1c1ccnc(-c2nn[nH]n2)n1)c1cccnc1 ZINC001573705018 948388907 /nfs/dbraw/zinc/38/89/07/948388907.db2.gz VEFFPATZVABKDY-GXTWGEPZSA-N 0 1 379.428 0.940 20 0 GCADMN C[C@@H](C(=O)NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573706933 948426511 /nfs/dbraw/zinc/42/65/11/948426511.db2.gz MOPJASSMLLRVOB-LBPRGKRZSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C(C)(F)F ZINC001573707593 948437916 /nfs/dbraw/zinc/43/79/16/948437916.db2.gz OULJBSPSFARIEC-VHSXEESVSA-N 0 1 382.375 0.269 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)n1cccc1 ZINC001573708103 948443149 /nfs/dbraw/zinc/44/31/49/948443149.db2.gz RPNIOPHGCQSZJY-OLZOCXBDSA-N 0 1 383.416 0.041 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C(F)(F)F ZINC001573708260 948447177 /nfs/dbraw/zinc/44/71/77/948447177.db2.gz SHKSOTFALUTQQF-RKDXNWHRSA-N 0 1 386.338 0.177 20 0 GCADMN C[C@@H](C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)n1cnc(-c2nn[nH]n2)n1 ZINC001573708669 948455884 /nfs/dbraw/zinc/45/58/84/948455884.db2.gz XAKXDNKLODNUCZ-JTQLQIEISA-N 0 1 393.452 0.829 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccco1 ZINC001573708852 948459957 /nfs/dbraw/zinc/45/99/57/948459957.db2.gz XWCHRFYMTUDFKG-VXGBXAGGSA-N 0 1 384.400 0.375 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573729411 948567086 /nfs/dbraw/zinc/56/70/86/948567086.db2.gz SIUJICWNZUSJEF-RWMBFGLXSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573729934 948574192 /nfs/dbraw/zinc/57/41/92/948574192.db2.gz WVYCJJTWXPQMHZ-FRRDWIJNSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccncc1-c1nn[nH]n1)n1cncn1 ZINC001573736225 948612679 /nfs/dbraw/zinc/61/26/79/948612679.db2.gz JIYVALFVIBJRKD-KCPJHIHWSA-N 0 1 382.432 0.376 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573736479 948616262 /nfs/dbraw/zinc/61/62/62/948616262.db2.gz XFBDETAVAWTYAE-YNEHKIRRSA-N 0 1 382.432 0.376 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573739803 948624263 /nfs/dbraw/zinc/62/42/63/948624263.db2.gz HTPAYPKAZMGPPB-LOWDOPEQSA-N 0 1 380.416 0.340 20 0 GCADMN 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C[C@@H](C(=O)N[C@H]1C[C@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCCC1 ZINC001573752294 948712114 /nfs/dbraw/zinc/71/21/14/948712114.db2.gz MODAIBGBZFKECM-IHRRRGAJSA-N 0 1 385.476 0.980 20 0 GCADMN C[C@@H](C(=O)Nc1ccccc1S(=O)(=O)C1CC1)n1cnc(-c2nn[nH]n2)n1 ZINC001573754740 948746605 /nfs/dbraw/zinc/74/66/05/948746605.db2.gz JOFGOMVNRGHIRM-VIFPVBQESA-N 0 1 388.413 0.594 20 0 GCADMN CC(C)c1ccc(C(=O)NC[C@@H](O)CNc2ccnc(-c3nn[nH]n3)n2)cc1 ZINC001574416397 948746782 /nfs/dbraw/zinc/74/67/82/948746782.db2.gz UETNZBIBOWAYQQ-AWEZNQCLSA-N 0 1 382.428 0.405 20 0 GCADMN CC(C)[C@@H](F)C(=O)N1CCCO[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574075855 948750275 /nfs/dbraw/zinc/75/02/75/948750275.db2.gz ZOIASBJVMIHTJT-DGCLKSJQSA-N 0 1 378.412 0.102 20 0 GCADMN C[C@H](C(N)=O)N1CCC2(C[C@H](C)N(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573754990 948754097 /nfs/dbraw/zinc/75/40/97/948754097.db2.gz MHQLBAPRZZDQAA-NWDGAFQWSA-N 0 1 386.460 0.385 20 0 GCADMN CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1nc2cc(-c3nn[nH]n3)ccc2[nH]1 ZINC001574078705 948760927 /nfs/dbraw/zinc/76/09/27/948760927.db2.gz GTHWNPUFLUVQMC-NSHDSACASA-N 0 1 378.418 0.255 20 0 GCADMN CC(F)(F)C1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CC1 ZINC001575223296 948761103 /nfs/dbraw/zinc/76/11/03/948761103.db2.gz NGCNWVPWBCHERB-PHIMTYICSA-N 0 1 390.398 0.987 20 0 GCADMN CC(F)(F)C1(C(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575224368 948784924 /nfs/dbraw/zinc/78/49/24/948784924.db2.gz VLGQJXLQPHGNLB-UHFFFAOYSA-N 0 1 378.387 0.821 20 0 GCADMN CC(C)c1ccoc1C(=O)N(CCO)CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001574421554 948819959 /nfs/dbraw/zinc/81/99/59/948819959.db2.gz MCUABESVKDJRBO-UHFFFAOYSA-N 0 1 386.416 0.342 20 0 GCADMN CC(F)(F)C1(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)CC1 ZINC001575226952 948821508 /nfs/dbraw/zinc/82/15/08/948821508.db2.gz QEXUSEJZHPRCMQ-JZYVYDRUSA-N 0 1 376.371 0.643 20 0 GCADMN C[C@H](CNC(=O)CCc1ccn(C)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917516 948822131 /nfs/dbraw/zinc/82/21/31/948822131.db2.gz ZFQDLSILZZTCMU-GFCCVEGCSA-N 0 1 386.435 0.966 20 0 GCADMN CC(C)c1ccoc1C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574422203 948831873 /nfs/dbraw/zinc/83/18/73/948831873.db2.gz XESURBVUSKCAQW-LBPRGKRZSA-N 0 1 385.428 0.945 20 0 GCADMN CC(C)(C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001573762003 948848086 /nfs/dbraw/zinc/84/80/86/948848086.db2.gz OAZSKHUAKKXBSD-UHFFFAOYSA-N 0 1 388.476 0.369 20 0 GCADMN CC(C)(C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001573762063 948851342 /nfs/dbraw/zinc/85/13/42/948851342.db2.gz QTBYYUGAAMARJP-UHFFFAOYSA-N 0 1 387.366 0.505 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCC1 ZINC001573762294 948851698 /nfs/dbraw/zinc/85/16/98/948851698.db2.gz RVIRUOXKPTZNBB-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573762294 948851719 /nfs/dbraw/zinc/85/17/19/948851719.db2.gz RVIRUOXKPTZNBB-ZDUSSCGKSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684377 948864307 /nfs/dbraw/zinc/86/43/07/948864307.db2.gz DZHWLTQWTMJMHS-BQBZGAKWSA-N 0 1 384.853 0.562 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1COC(=O)N1 ZINC001574684400 948864897 /nfs/dbraw/zinc/86/48/97/948864897.db2.gz FRQJWYSNINQIIE-PHDIDXHHSA-N 0 1 386.825 0.392 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684402 948864938 /nfs/dbraw/zinc/86/49/38/948864938.db2.gz FRQJWYSNINQIIE-WDSKDSINSA-N 0 1 386.825 0.392 20 0 GCADMN CC(C)c1nc(CN2CCC[C@H]2CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n[nH]1 ZINC001574425528 948874527 /nfs/dbraw/zinc/87/45/27/948874527.db2.gz HYVIYRHEDJNPOQ-LBPRGKRZSA-N 0 1 384.448 0.831 20 0 GCADMN C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CCc1nc[nH]n1 ZINC001574684605 948878668 /nfs/dbraw/zinc/87/86/68/948878668.db2.gz ISNOOELIBBYDQF-VIFPVBQESA-N 0 1 390.839 0.973 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H]1CNc1cnc(-c2nn[n-]n2)cn1)[NH+]1CCCC1 ZINC001573763963 948881582 /nfs/dbraw/zinc/88/15/82/948881582.db2.gz JJTPTIGSBHGDLM-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)c1nc(CN2CC[C@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001574425773 948884422 /nfs/dbraw/zinc/88/44/22/948884422.db2.gz NJYFVGJPVLDUCT-LLVKDONJSA-N 0 1 384.448 0.688 20 0 GCADMN CC(C)(C(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573764370 948888731 /nfs/dbraw/zinc/88/87/31/948888731.db2.gz OEJDCGUXQFAXEH-SFHVURJKSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CCc1c[nH]nn1 ZINC001574684928 948894365 /nfs/dbraw/zinc/89/43/65/948894365.db2.gz PFZKMKKTQCYBRW-SECBINFHSA-N 0 1 390.839 0.973 20 0 GCADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)CCc1cnn[nH]1 ZINC001574684928 948894385 /nfs/dbraw/zinc/89/43/85/948894385.db2.gz PFZKMKKTQCYBRW-SECBINFHSA-N 0 1 390.839 0.973 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573765053 948899614 /nfs/dbraw/zinc/89/96/14/948899614.db2.gz VBSJDVWQTOKZRY-ZDUSSCGKSA-N 0 1 385.476 0.356 20 0 GCADMN CC(C)(C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCCO1 ZINC001573765344 948906271 /nfs/dbraw/zinc/90/62/71/948906271.db2.gz ZAQNOUIMONUZOB-STQMWFEESA-N 0 1 386.460 0.687 20 0 GCADMN CC(C)(C(=O)N1CCCN(c2cnc(-c3nn[n-]n3)cn2)CC1)[NH+]1CCCC1 ZINC001573765481 948914324 /nfs/dbraw/zinc/91/43/24/948914324.db2.gz JRXINAZOPGTRND-UHFFFAOYSA-N 0 1 385.476 0.570 20 0 GCADMN CC(C)(C(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1)C(F)F ZINC001573765589 948916050 /nfs/dbraw/zinc/91/60/50/948916050.db2.gz PMQICBAUHVZAEP-SNVBAGLBSA-N 0 1 381.387 0.614 20 0 GCADMN CC(C)c1ncncc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574431779 948924694 /nfs/dbraw/zinc/92/46/94/948924694.db2.gz BJOICPSYMFWWAC-NSHDSACASA-N 0 1 382.432 0.565 20 0 GCADMN CC(F)(F)CC(=O)NC[C@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001575235624 948924905 /nfs/dbraw/zinc/92/49/05/948924905.db2.gz XAUFTIHBEHEXJL-CQSZACIVSA-N 0 1 382.375 0.414 20 0 GCADMN CC(F)(F)CC(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001575235623 948925904 /nfs/dbraw/zinc/92/59/04/948925904.db2.gz XAUFTIHBEHEXJL-AWEZNQCLSA-N 0 1 382.375 0.414 20 0 GCADMN CC(F)(F)CC(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001575235612 948926013 /nfs/dbraw/zinc/92/60/13/948926013.db2.gz WNUFHNKIHPRAJZ-UONOGXRCSA-N 0 1 380.399 0.963 20 0 GCADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)C1=NC(=O)N(C)C1 ZINC001574686378 948932394 /nfs/dbraw/zinc/93/23/94/948932394.db2.gz HOJLMTUKMAKZCS-MRVPVSSYSA-N 0 1 375.368 0.460 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574432753 948939303 /nfs/dbraw/zinc/93/93/03/948939303.db2.gz CZGIHVUAMZNKJP-HAQNSBGRSA-N 0 1 381.444 0.913 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001574433288 948950493 /nfs/dbraw/zinc/95/04/93/948950493.db2.gz SEMWBOBVZVIWFG-YPMHNXCESA-N 0 1 394.443 0.967 20 0 GCADMN C[C@H](CNC(=O)CCn1ccnn1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574923591 948955405 /nfs/dbraw/zinc/95/54/05/948955405.db2.gz PUNPAMPTAUYXNV-SSDOTTSWSA-N 0 1 382.841 0.575 20 0 GCADMN CC(C)c1ncncc1C(=O)N[C@H](C)[C@@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433592 948961040 /nfs/dbraw/zinc/96/10/40/948961040.db2.gz XVRIAUSGLRRJFS-GHMZBOCLSA-N 0 1 382.432 0.611 20 0 GCADMN C[C@@H](CNC(=O)CN(C)C(=O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574923934 948963828 /nfs/dbraw/zinc/96/38/28/948963828.db2.gz UKZFGXVQKQNQSC-NSHDSACASA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)CCNc1ncccc1-c1nn[nH]n1 ZINC001574688810 948971319 /nfs/dbraw/zinc/97/13/19/948971319.db2.gz ZOZUGWSRVWKDNU-KGLIPLIRSA-N 0 1 388.476 0.537 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001573773093 948972973 /nfs/dbraw/zinc/97/29/73/948972973.db2.gz GPOXRXSBMFROEJ-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCNC1=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574925467 948973387 /nfs/dbraw/zinc/97/33/87/948973387.db2.gz ADLYEQIAFGRCPE-NSHDSACASA-N 0 1 392.489 0.280 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCNC1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574925467 948973394 /nfs/dbraw/zinc/97/33/94/948973394.db2.gz ADLYEQIAFGRCPE-NSHDSACASA-N 0 1 392.489 0.280 20 0 GCADMN C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926188 948991455 /nfs/dbraw/zinc/99/14/55/948991455.db2.gz KFJBRAQWGILMJQ-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1ccc(-c2nn[n-]n2)nn1 ZINC001574926188 948991465 /nfs/dbraw/zinc/99/14/65/948991465.db2.gz KFJBRAQWGILMJQ-GFCCVEGCSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](F)CC[N@@H+](CCO)[C@H]1CCCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575243120 948992981 /nfs/dbraw/zinc/99/29/81/948992981.db2.gz NJLNTHPZJLMRBK-OCCSQVGLSA-N 0 1 379.440 0.842 20 0 GCADMN CC(C)c1nnc(CNC[C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)o1 ZINC001574435438 948993115 /nfs/dbraw/zinc/99/31/15/948993115.db2.gz VFWNLIVXWZFMNU-NSHDSACASA-N 0 1 385.432 0.953 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCCCC1=O)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574926477 949004543 /nfs/dbraw/zinc/00/45/43/949004543.db2.gz RVQXRPJFBMGMCU-ZDUSSCGKSA-N 0 1 386.460 0.605 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)Oc1cccnc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575501378 949010822 /nfs/dbraw/zinc/01/08/22/949010822.db2.gz HIJWLWCCKCFPJM-VXGBXAGGSA-N 0 1 383.416 0.460 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575501396 949011419 /nfs/dbraw/zinc/01/14/19/949011419.db2.gz HMDQOARYYSOWLX-NEPJUHHUSA-N 0 1 383.416 0.200 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H](C)Oc1cccnc1 ZINC001575501401 949013796 /nfs/dbraw/zinc/01/37/96/949013796.db2.gz HMDQOARYYSOWLX-RYUDHWBXSA-N 0 1 383.416 0.200 20 0 GCADMN C[C@H](CNC(=O)CN1CCCC1=O)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926681 949016973 /nfs/dbraw/zinc/01/69/73/949016973.db2.gz UZQYKLQZKRYQAO-LLVKDONJSA-N 0 1 377.474 0.487 20 0 GCADMN C[C@H](CNC(=O)CN1CCCC1=O)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574926681 949016990 /nfs/dbraw/zinc/01/69/90/949016990.db2.gz UZQYKLQZKRYQAO-LLVKDONJSA-N 0 1 377.474 0.487 20 0 GCADMN CC(C)c1nnsc1C(=O)N(C)[C@@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574440112 949020767 /nfs/dbraw/zinc/02/07/67/949020767.db2.gz NSHLBMVHHYUQFS-VIFPVBQESA-N 0 1 388.461 0.626 20 0 GCADMN CC(C)c1nnsc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574440129 949023096 /nfs/dbraw/zinc/02/30/96/949023096.db2.gz OASOKOZKHRKRCW-VIFPVBQESA-N 0 1 386.445 0.640 20 0 GCADMN CC(C)(C(=O)NC[C@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCCO1 ZINC001573774817 949023298 /nfs/dbraw/zinc/02/32/98/949023298.db2.gz WYHIRKJFOXWJAB-DOMZBBRYSA-N 0 1 389.460 0.168 20 0 GCADMN C[C@@H](CNC(=O)CNC(=O)C1CC1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574926964 949033224 /nfs/dbraw/zinc/03/32/24/949033224.db2.gz DNKADNVEESLAIL-LURJTMIESA-N 0 1 384.853 0.419 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602786477 971535129 /nfs/dbraw/zinc/53/51/29/971535129.db2.gz UABBZGPXYADDLX-CJXDPKRBSA-N 0 1 390.436 0.706 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574441034 949047186 /nfs/dbraw/zinc/04/71/86/949047186.db2.gz AHHPSKLMILACLI-SNVBAGLBSA-N 0 1 391.457 0.920 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574441034 949047209 /nfs/dbraw/zinc/04/72/09/949047209.db2.gz AHHPSKLMILACLI-SNVBAGLBSA-N 0 1 391.457 0.920 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)CC(C)(C)C)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574927929 949048351 /nfs/dbraw/zinc/04/83/51/949048351.db2.gz MNSKVYBMDHGXDE-LLVKDONJSA-N 0 1 389.464 0.150 20 0 GCADMN CC(C)c1nocc1C(=O)NC[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574441278 949055837 /nfs/dbraw/zinc/05/58/37/949055837.db2.gz JAUFVNZVCCWJOG-XYPYZODXSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2cncc(-c3nnn[n-]3)n2)CCC1)[NH+]1CCCC1 ZINC001573779435 949059111 /nfs/dbraw/zinc/05/91/11/949059111.db2.gz HVOLUPCHXGQEQT-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2cncc(-c3nn[n-]n3)n2)CCC1)[NH+]1CCCC1 ZINC001573779435 949059128 /nfs/dbraw/zinc/05/91/28/949059128.db2.gz HVOLUPCHXGQEQT-UHFFFAOYSA-N 0 1 385.476 0.982 20 0 GCADMN C[C@@H](CN(C)C(=O)C(=O)NCC(F)F)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574693790 949061091 /nfs/dbraw/zinc/06/10/91/949061091.db2.gz JIXSBAOSUIKISE-QMMMGPOBSA-N 0 1 387.416 0.246 20 0 GCADMN C[C@@H](CN(C)C(=O)C(=O)NCC(F)F)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574693790 949061109 /nfs/dbraw/zinc/06/11/09/949061109.db2.gz JIXSBAOSUIKISE-QMMMGPOBSA-N 0 1 387.416 0.246 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N[C@@H]1[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]21 ZINC001575504099 949062500 /nfs/dbraw/zinc/06/25/00/949062500.db2.gz SHFHTBBCUZUVIF-LCSDZXHASA-N 0 1 392.423 0.675 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCC1 ZINC001573779464 949063603 /nfs/dbraw/zinc/06/36/03/949063603.db2.gz IVMBAWHWNRDYFH-ZDUSSCGKSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001573779464 949063623 /nfs/dbraw/zinc/06/36/23/949063623.db2.gz IVMBAWHWNRDYFH-ZDUSSCGKSA-N 0 1 385.476 0.474 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nnn[n-]1)[NH+]1CCCC1 ZINC001573779500 949064793 /nfs/dbraw/zinc/06/47/93/949064793.db2.gz KDCZGRZSEGMMTO-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCCN1c1nccnc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC001573779500 949064815 /nfs/dbraw/zinc/06/48/15/949064815.db2.gz KDCZGRZSEGMMTO-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCNC1=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574929118 949077855 /nfs/dbraw/zinc/07/78/55/949077855.db2.gz YPZFGHNOBPKHTQ-NSHDSACASA-N 0 1 390.423 0.015 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C1CC1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574929122 949078212 /nfs/dbraw/zinc/07/82/12/949078212.db2.gz YSMAFLFBGVROCD-SNVBAGLBSA-N 0 1 375.408 0.126 20 0 GCADMN CC(C)(C(=O)NC[C@H]1CCCN1c1ccc(-c2nn[n-]n2)nn1)[NH+]1CCCC1 ZINC001573780207 949078936 /nfs/dbraw/zinc/07/89/36/949078936.db2.gz SNJUWMJDKGRSSD-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)(C(=O)NCC1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573780117 949082519 /nfs/dbraw/zinc/08/25/19/949082519.db2.gz RXUILIOZPLEGGT-UHFFFAOYSA-N 0 1 385.476 0.260 20 0 GCADMN C[C@@H](NC(=O)C(C)(C)C)C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001575249564 949102687 /nfs/dbraw/zinc/10/26/87/949102687.db2.gz ZBDSIHKRJRSQCZ-LLVKDONJSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001573782364 949121421 /nfs/dbraw/zinc/12/14/21/949121421.db2.gz SWGCZKNZJWCBQX-DTORHVGOSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@@H](c1ccccc1)[C@H](NS(=O)(=O)c1ccsc1-c1nn[nH]n1)C(N)=O ZINC001575510128 949121648 /nfs/dbraw/zinc/12/16/48/949121648.db2.gz GJFCMNLHBZNCGJ-CABZTGNLSA-N 0 1 392.466 0.864 20 0 GCADMN CC(C)[C@@H]1C[C@H]1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001574094118 949129639 /nfs/dbraw/zinc/12/96/39/949129639.db2.gz XLZFATUVHHEERZ-QWHCGFSZSA-N 0 1 386.460 0.448 20 0 GCADMN CC(C)c1ocnc1C(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574446596 949132973 /nfs/dbraw/zinc/13/29/73/949132973.db2.gz SHWMNGZZXYXDHN-LLVKDONJSA-N 0 1 386.416 0.340 20 0 GCADMN CC(C)(C(=O)NCCNCc1ccc(-c2nn[nH]n2)cc1F)N1CCOCC1 ZINC001573782957 949136516 /nfs/dbraw/zinc/13/65/16/949136516.db2.gz ZIUDWFZPFCYUQF-UHFFFAOYSA-N 0 1 391.451 0.322 20 0 GCADMN CC(C)[C@H]1C[C@@H](C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001574094442 949137151 /nfs/dbraw/zinc/13/71/51/949137151.db2.gz WBXLXWFGUWTEBR-UONOGXRCSA-N 0 1 386.460 0.757 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573786769 949146601 /nfs/dbraw/zinc/14/66/01/949146601.db2.gz ABZPAJFEKPIMSI-XYPYZODXSA-N 0 1 382.432 0.086 20 0 GCADMN C[C@@H](CNC(=O)COc1cc(F)cc(F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574934034 949146854 /nfs/dbraw/zinc/14/68/54/949146854.db2.gz ASNCFSPBVREYFM-VIFPVBQESA-N 0 1 390.354 0.352 20 0 GCADMN CC(C)[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCO1 ZINC001574095447 949151470 /nfs/dbraw/zinc/15/14/70/949151470.db2.gz YNNPZAFBJWMKMJ-AAVRWANBSA-N 0 1 386.460 0.589 20 0 GCADMN CC(C)c1ocnc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574447152 949152818 /nfs/dbraw/zinc/15/28/18/949152818.db2.gz IQCPCPLTFWGUPT-PHIMTYICSA-N 0 1 383.416 0.811 20 0 GCADMN CC(C)[C@@H]1C[C@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCO1 ZINC001574095449 949153182 /nfs/dbraw/zinc/15/31/82/949153182.db2.gz YNNPZAFBJWMKMJ-SYQHCUMBSA-N 0 1 386.460 0.589 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)Cc1cnc[nH]1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574697754 949158035 /nfs/dbraw/zinc/15/80/35/949158035.db2.gz BOOVUXHUQGRMHS-GHMZBOCLSA-N 0 1 385.432 0.373 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H](F)Cc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574697958 949166270 /nfs/dbraw/zinc/16/62/70/949166270.db2.gz DNKLDWNSCATNAM-JSGCOSHPSA-N 0 1 384.419 0.918 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574697910 949166888 /nfs/dbraw/zinc/16/68/88/949166888.db2.gz DCFALJWAIDLCGT-WDEREUQCSA-N 0 1 385.432 0.373 20 0 GCADMN CC(C)c1ocnc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574447716 949171575 /nfs/dbraw/zinc/17/15/75/949171575.db2.gz YOWPLQHWFHLMTE-UHFFFAOYSA-N 0 1 383.416 0.955 20 0 GCADMN CC(C)(C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)[C@H]1CCCCO1 ZINC001573787308 949174503 /nfs/dbraw/zinc/17/45/03/949174503.db2.gz SLWINPRZNLZGRR-JHJVBQTASA-N 0 1 386.460 0.733 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698111 949175949 /nfs/dbraw/zinc/17/59/49/949175949.db2.gz GDVFWRDRCJDUHK-GHMZBOCLSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698111 949175964 /nfs/dbraw/zinc/17/59/64/949175964.db2.gz GDVFWRDRCJDUHK-GHMZBOCLSA-N 0 1 375.462 0.717 20 0 GCADMN C[C@@H](c1cnccn1)N1C[C@@H]2[C@@H](CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)[C@@H]2C1 ZINC001575515084 949181321 /nfs/dbraw/zinc/18/13/21/949181321.db2.gz FXVANBHJCKFLNL-DOERSZECSA-N 0 1 379.428 0.654 20 0 GCADMN CC(C)(C(N)=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573787774 949186116 /nfs/dbraw/zinc/18/61/16/949186116.db2.gz ALFSOHSELCUQSM-VXGBXAGGSA-N 0 1 391.501 0.957 20 0 GCADMN CC(C)(C(N)=O)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573787774 949186131 /nfs/dbraw/zinc/18/61/31/949186131.db2.gz ALFSOHSELCUQSM-VXGBXAGGSA-N 0 1 391.501 0.957 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698324 949187882 /nfs/dbraw/zinc/18/78/82/949187882.db2.gz JBEHXCMEVSJHKK-UWVGGRQHSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)S(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698324 949187899 /nfs/dbraw/zinc/18/78/99/949187899.db2.gz JBEHXCMEVSJHKK-UWVGGRQHSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)S(C)(=O)=O ZINC001574698325 949188302 /nfs/dbraw/zinc/18/83/02/949188302.db2.gz JBEHXCMEVSJHKK-VHSXEESVSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)S(C)(=O)=O ZINC001574698325 949188315 /nfs/dbraw/zinc/18/83/15/949188315.db2.gz JBEHXCMEVSJHKK-VHSXEESVSA-N 0 1 386.503 0.298 20 0 GCADMN CC(C)CC(=O)N1C[C@@H](C)O[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001574102892 949213803 /nfs/dbraw/zinc/21/38/03/949213803.db2.gz FSUCTUXCPAVGGK-ACJLOTCBSA-N 0 1 386.460 0.899 20 0 GCADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)[C@H]2C[C@@]23CCOC3)CC1 ZINC001575853885 949226332 /nfs/dbraw/zinc/22/63/32/949226332.db2.gz OIHUSQFLDHCJGP-AUUYWEPGSA-N 0 1 383.456 0.903 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)CC(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574699201 949232880 /nfs/dbraw/zinc/23/28/80/949232880.db2.gz UASIQWYBVPVLQI-WDEREUQCSA-N 0 1 377.424 0.454 20 0 GCADMN CC(C)c1oncc1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCC1 ZINC001574451676 949235678 /nfs/dbraw/zinc/23/56/78/949235678.db2.gz TYPKRULNASDZKN-UHFFFAOYSA-N 0 1 383.416 0.955 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)CC(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574699197 949235823 /nfs/dbraw/zinc/23/58/23/949235823.db2.gz UASIQWYBVPVLQI-GHMZBOCLSA-N 0 1 377.424 0.454 20 0 GCADMN C[C@H]1CCC[C@H](OCC(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001576151918 949236648 /nfs/dbraw/zinc/23/66/48/949236648.db2.gz GRJCJCUGRHZMKB-XUXIUFHCSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@@H](CNC(=O)Cc1c(F)cccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574938498 949247462 /nfs/dbraw/zinc/24/74/62/949247462.db2.gz XCOODSQKNHHKOG-SNVBAGLBSA-N 0 1 388.382 0.764 20 0 GCADMN C[C@@H](Oc1cccnc1)C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574700013 949248482 /nfs/dbraw/zinc/24/84/82/949248482.db2.gz XUGVMYDBFPGAQN-NWDGAFQWSA-N 0 1 383.416 0.200 20 0 GCADMN CC(C)n1cc(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)cn1 ZINC001574452497 949264543 /nfs/dbraw/zinc/26/45/43/949264543.db2.gz LFLQHELAIAFFMQ-ZDUSSCGKSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)cn1 ZINC001574453158 949280728 /nfs/dbraw/zinc/28/07/28/949280728.db2.gz XLUDJJUXUVCIHM-LBPRGKRZSA-N 0 1 390.473 0.586 20 0 GCADMN CC(C)n1cc(C(=O)NC[C@@H](O)C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)cn1 ZINC001574453158 949280749 /nfs/dbraw/zinc/28/07/49/949280749.db2.gz XLUDJJUXUVCIHM-LBPRGKRZSA-N 0 1 390.473 0.586 20 0 GCADMN CC(C)n1cc(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)cn1 ZINC001574454760 949292149 /nfs/dbraw/zinc/29/21/49/949292149.db2.gz CPSCYNAEZODCOL-DGCLKSJQSA-N 0 1 382.432 0.689 20 0 GCADMN CC(C)n1cc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574455654 949312753 /nfs/dbraw/zinc/31/27/53/949312753.db2.gz ULGUYNIIBWATPC-GXTWGEPZSA-N 0 1 396.459 0.867 20 0 GCADMN CC(C)n1ccc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574457131 949315503 /nfs/dbraw/zinc/31/55/03/949315503.db2.gz AJIPHHFJLZCDEI-UHFFFAOYSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)n1cc(CNCC2CC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)nn1 ZINC001574455789 949315996 /nfs/dbraw/zinc/31/59/96/949315996.db2.gz YRJRVAPZEYVFAR-UHFFFAOYSA-N 0 1 384.448 0.665 20 0 GCADMN CC(C)n1ccc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574457233 949318462 /nfs/dbraw/zinc/31/84/62/949318462.db2.gz CXNMCETUYPEWGK-GFCCVEGCSA-N 0 1 382.432 0.785 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)n1 ZINC001574457322 949322478 /nfs/dbraw/zinc/32/24/78/949322478.db2.gz GIVFPMQDWGHWSH-ZDUSSCGKSA-N 0 1 382.432 0.477 20 0 GCADMN CC(C)n1cccc1C(=O)N(CCO)CCNc1ccncc1-c1nn[nH]n1 ZINC001574459470 949356090 /nfs/dbraw/zinc/35/60/90/949356090.db2.gz HZGBLLJPKTVQPB-UHFFFAOYSA-N 0 1 384.444 0.613 20 0 GCADMN CC(C)n1ccc(CC(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001574459869 949366442 /nfs/dbraw/zinc/36/64/42/949366442.db2.gz NCKKDZJCEYTMGW-CQSZACIVSA-N 0 1 381.444 0.717 20 0 GCADMN C[C@@H]1CCCC[C@@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cnon1 ZINC001576154824 949366985 /nfs/dbraw/zinc/36/69/85/949366985.db2.gz FMVACIAFZGGPLB-HWPZZCPQSA-N 0 1 384.404 0.252 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574704348 949383917 /nfs/dbraw/zinc/38/39/17/949383917.db2.gz MTTMBIDALVPBGV-MNOVXSKESA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(C)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574704348 949383928 /nfs/dbraw/zinc/38/39/28/949383928.db2.gz MTTMBIDALVPBGV-MNOVXSKESA-N 0 1 377.474 0.343 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573799973 949384950 /nfs/dbraw/zinc/38/49/50/949384950.db2.gz SDUBIVGJOIEXPZ-UHFFFAOYSA-N 0 1 386.460 0.153 20 0 GCADMN CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001575263574 949402833 /nfs/dbraw/zinc/40/28/33/949402833.db2.gz ICSZTOSRXOYENN-OLZOCXBDSA-N 0 1 387.492 0.504 20 0 GCADMN C[C@@H](CNC(=O)Cc1n[nH]c2ccccc12)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574944809 949403331 /nfs/dbraw/zinc/40/33/31/949403331.db2.gz GRMTWRGRHCFBMC-LLVKDONJSA-N 0 1 392.427 0.362 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1CCCc2n[nH]cc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574704947 949412871 /nfs/dbraw/zinc/41/28/71/949412871.db2.gz GHHHQGNVAANVMO-NEPJUHHUSA-N 0 1 381.444 0.786 20 0 GCADMN CC(C)n1cnc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574465032 949424975 /nfs/dbraw/zinc/42/49/75/949424975.db2.gz TZQGHZAHMITHLA-QWHCGFSZSA-N 0 1 396.459 0.867 20 0 GCADMN CC(C)n1cnc(C(=O)N2CC[C@@H](N(C)c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001574465544 949438188 /nfs/dbraw/zinc/43/81/88/949438188.db2.gz ZZSMPZHEIHOJIC-GFCCVEGCSA-N 0 1 382.432 0.785 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCC(=O)NC1 ZINC001575536017 949462378 /nfs/dbraw/zinc/46/23/78/949462378.db2.gz DBONRSDFPBYCSG-APPDUMDISA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@]1(C(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCC(=O)NC1 ZINC001575536017 949462391 /nfs/dbraw/zinc/46/23/91/949462391.db2.gz DBONRSDFPBYCSG-APPDUMDISA-N 0 1 389.485 0.535 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)NC[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573804207 949466467 /nfs/dbraw/zinc/46/64/67/949466467.db2.gz TWHGPMXWPAFWPM-TXEJJXNPSA-N 0 1 386.460 0.153 20 0 GCADMN CC(C)n1ncc(C(=O)NCCN(C)c2ccnc(-c3nn[nH]n3)n2)c1Cl ZINC001574468807 949467992 /nfs/dbraw/zinc/46/79/92/949467992.db2.gz SBIFPFRFZSQOSI-UHFFFAOYSA-N 0 1 390.839 0.954 20 0 GCADMN C[C@@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574948778 949471039 /nfs/dbraw/zinc/47/10/39/949471039.db2.gz MOOPOBWUCYSKSH-JTQLQIEISA-N 0 1 375.824 0.753 20 0 GCADMN CC(C)n1nccc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574469121 949473681 /nfs/dbraw/zinc/47/36/81/949473681.db2.gz WWVCISHLXHLPAQ-LBPRGKRZSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2(C)CCOCC2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575869947 949480504 /nfs/dbraw/zinc/48/05/04/949480504.db2.gz SRXLCWMPYNKWLY-STQMWFEESA-N 0 1 386.460 0.947 20 0 GCADMN C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccncc1-c1nn[nH]n1 ZINC001574949126 949485571 /nfs/dbraw/zinc/48/55/71/949485571.db2.gz QXNONDZQSPYIMW-JTQLQIEISA-N 0 1 391.386 0.682 20 0 GCADMN C[C@H](CNC(=O)Cn1cccn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949139 949486817 /nfs/dbraw/zinc/48/68/17/949486817.db2.gz REBRPWRGLVRHLK-MRVPVSSYSA-N 0 1 381.853 0.814 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(Cl)cn1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574949400 949495989 /nfs/dbraw/zinc/49/59/89/949495989.db2.gz VRIPJGMUUVETOO-SECBINFHSA-N 0 1 376.812 0.148 20 0 GCADMN C[C@@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574949465 949499043 /nfs/dbraw/zinc/49/90/43/949499043.db2.gz XECUJQXFURNMHT-SECBINFHSA-N 0 1 392.374 0.077 20 0 GCADMN C[C@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1ccn[nH]1 ZINC001576158494 949499636 /nfs/dbraw/zinc/49/96/36/949499636.db2.gz TXAACAOXCHQUNB-APPDUMDISA-N 0 1 382.432 0.593 20 0 GCADMN CC(C)CC(=O)NCCC(=O)N[C@H](C)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574118990 949499709 /nfs/dbraw/zinc/49/97/09/949499709.db2.gz HHYIXIFKCLXODD-GFCCVEGCSA-N 0 1 389.464 0.150 20 0 GCADMN C[C@@H](NC(=O)C[C@@H]1CCNC1=O)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575268516 949522074 /nfs/dbraw/zinc/52/20/74/949522074.db2.gz NGHSKMRROOCLBP-DOMZBBRYSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCNC(=O)C1 ZINC001575538420 949522932 /nfs/dbraw/zinc/52/29/32/949522932.db2.gz GYOJKVKDMRASRY-KZULUSFZSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1COCCO1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574711151 949526329 /nfs/dbraw/zinc/52/63/29/949526329.db2.gz DSSIXDONTZYXOE-NHYWBVRUSA-N 0 1 378.408 0.358 20 0 GCADMN CC1(C(=O)N2CCC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575538675 949527642 /nfs/dbraw/zinc/52/76/42/949527642.db2.gz IOTUBFQGPGJRLR-ZDUSSCGKSA-N 0 1 386.460 0.546 20 0 GCADMN C[C@H]1CCCN(C(=O)CC2(O)CCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576163393 949532137 /nfs/dbraw/zinc/53/21/37/949532137.db2.gz ASGNGILJACCBLN-STQMWFEESA-N 0 1 386.460 0.423 20 0 GCADMN CC(C)n1ncnc1CN[C@H]1C[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001574471851 949539250 /nfs/dbraw/zinc/53/92/50/949539250.db2.gz NPUXXULYAQSLLA-HAQNSBGRSA-N 0 1 384.448 0.665 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CC2OCCCO2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575872316 949545043 /nfs/dbraw/zinc/54/50/43/949545043.db2.gz HOYNHOFCGAIVCU-VXGBXAGGSA-N 0 1 388.432 0.283 20 0 GCADMN C[C@@H]1CCCC[C@H]1OCC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001576163955 949546839 /nfs/dbraw/zinc/54/68/39/949546839.db2.gz DOWLXXOPPPKLBM-CHWSQXEVSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)CCC(=O)NC1 ZINC001575539399 949548787 /nfs/dbraw/zinc/54/87/87/949548787.db2.gz PQPNFTVTEXGUPA-SGTLLEGYSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@H](CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574472392 949550467 /nfs/dbraw/zinc/55/04/67/949550467.db2.gz UJJMZJMUCBGIMY-NXEZZACHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574472392 949550477 /nfs/dbraw/zinc/55/04/77/949550477.db2.gz UJJMZJMUCBGIMY-NXEZZACHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H](NC(=O)C[C@@H]1CCC(=O)N1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575269631 949557125 /nfs/dbraw/zinc/55/71/25/949557125.db2.gz VZXFWHNBGDEXRH-PWSUYJOCSA-N 0 1 389.485 0.533 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711945 949566368 /nfs/dbraw/zinc/56/63/68/949566368.db2.gz OIJUBZJTTGTERO-OCCSQVGLSA-N 0 1 378.440 0.752 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1Cc2cccnc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711946 949566501 /nfs/dbraw/zinc/56/65/01/949566501.db2.gz OIJUBZJTTGTERO-TZMCWYRMSA-N 0 1 378.440 0.752 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873023 949567170 /nfs/dbraw/zinc/56/71/70/949567170.db2.gz MSSABHCZWNACFL-QWHCGFSZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873023 949567182 /nfs/dbraw/zinc/56/71/82/949567182.db2.gz MSSABHCZWNACFL-QWHCGFSZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873021 949568095 /nfs/dbraw/zinc/56/80/95/949568095.db2.gz MSSABHCZWNACFL-CHWSQXEVSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873021 949568111 /nfs/dbraw/zinc/56/81/11/949568111.db2.gz MSSABHCZWNACFL-CHWSQXEVSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574955714 949568248 /nfs/dbraw/zinc/56/82/48/949568248.db2.gz CXMOUGHUKBEMIB-YGRLFVJLSA-N 0 1 390.423 0.143 20 0 GCADMN C[C@H](CC(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1)c1ccncc1 ZINC001574473249 949568379 /nfs/dbraw/zinc/56/83/79/949568379.db2.gz ZFGWLOZOYPRUTR-CHWSQXEVSA-N 0 1 381.444 0.926 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574955713 949568471 /nfs/dbraw/zinc/56/84/71/949568471.db2.gz CXMOUGHUKBEMIB-HZMBPMFUSA-N 0 1 390.423 0.143 20 0 GCADMN CC(C)CC(C)(C)C(=O)N(C)C[C@@H](O)CN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574124388 949572440 /nfs/dbraw/zinc/57/24/40/949572440.db2.gz GEFCTKQLKHFJMW-ZDUSSCGKSA-N 0 1 390.492 0.985 20 0 GCADMN C[C@H](NC(=O)CCNC(N)=O)C1CN(Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575270148 949578079 /nfs/dbraw/zinc/57/80/79/949578079.db2.gz BLZGEDCWYGGXJF-JTQLQIEISA-N 0 1 390.423 0.001 20 0 GCADMN C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)s1)NC(N)=O ZINC001574475850 949579069 /nfs/dbraw/zinc/57/90/69/949579069.db2.gz COKPXAAZXUPNSP-SNVBAGLBSA-N 0 1 380.478 0.265 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574475967 949584655 /nfs/dbraw/zinc/58/46/55/949584655.db2.gz DPXQRRBOKMCQBG-OLZOCXBDSA-N 0 1 390.492 0.772 20 0 GCADMN CC(C)(C)[C@H](CNCc1cnns1)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573811273 949595611 /nfs/dbraw/zinc/59/56/11/949595611.db2.gz IVZRVRDJWWDPCS-LBPRGKRZSA-N 0 1 375.462 0.981 20 0 GCADMN C[C@@]1(C(=O)N2CCCCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCOC1 ZINC001575545256 949595685 /nfs/dbraw/zinc/59/56/85/949595685.db2.gz JQKCSRWXPYOBGL-FZKQIMNGSA-N 0 1 386.460 0.688 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874236 949603876 /nfs/dbraw/zinc/60/38/76/949603876.db2.gz SKJALCLEHNHDDB-OLZOCXBDSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H](C)c1ccncc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574713719 949609663 /nfs/dbraw/zinc/60/96/63/949609663.db2.gz BOCWWHNJLMGFPM-QWHCGFSZSA-N 0 1 381.444 0.926 20 0 GCADMN C[C@H](CNC(=O)[C@@H]1CCCN1C(N)=O)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574957420 949611987 /nfs/dbraw/zinc/61/19/87/949611987.db2.gz XOQMKXKGSCWQJJ-YGRLFVJLSA-N 0 1 390.423 0.143 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2=COCCO2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576167577 949613682 /nfs/dbraw/zinc/61/36/82/949613682.db2.gz QXEDOQQRRWRXLG-IUODEOHRSA-N 0 1 385.428 0.611 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1)C(F)(F)F ZINC001574476695 949615076 /nfs/dbraw/zinc/61/50/76/949615076.db2.gz JEUKNRFQKPIPHP-ZJUUUORDSA-N 0 1 387.366 0.503 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H](O)CNc1ccncc1-c1nn[nH]n1)c1ccco1 ZINC001574476771 949619599 /nfs/dbraw/zinc/61/95/99/949619599.db2.gz JTTIRICGPTYKNE-QWHCGFSZSA-N 0 1 385.428 0.702 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574714111 949624486 /nfs/dbraw/zinc/62/44/86/949624486.db2.gz CEDKQOSWAOBTLJ-NXEZZACHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574714111 949624499 /nfs/dbraw/zinc/62/44/99/949624499.db2.gz CEDKQOSWAOBTLJ-NXEZZACHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2c[nH]nn2)CCCN1c1ncccc1-c1nn[nH]n1 ZINC001575875212 949629701 /nfs/dbraw/zinc/62/97/01/949629701.db2.gz HPLVJEVXTUFYMO-BXUZGUMPSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@@H](Nc1nc(-c2nn[nH]n2)c(Cl)s1)[C@H](C)NC(=O)CCCC(N)=O ZINC001575272143 949636848 /nfs/dbraw/zinc/63/68/48/949636848.db2.gz NZNTVEIIUUNIJK-NKWVEPMBSA-N 0 1 386.869 0.937 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cncn1C)N(C)c1ccncc1-c1nn[nH]n1 ZINC001574957826 949638920 /nfs/dbraw/zinc/63/89/20/949638920.db2.gz AGJAEXIAGRPNSQ-YNEHKIRRSA-N 0 1 381.444 0.740 20 0 GCADMN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cnc(-c2nnn[n-]2)cn1 ZINC001575876145 949643424 /nfs/dbraw/zinc/64/34/24/949643424.db2.gz WZOCBUUTFMMSCD-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575876145 949643438 /nfs/dbraw/zinc/64/34/38/949643438.db2.gz WZOCBUUTFMMSCD-QWHCGFSZSA-N 0 1 383.460 0.226 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575876069 949643568 /nfs/dbraw/zinc/64/35/68/949643568.db2.gz IVPMKRVWBAPCEY-TZMCWYRMSA-N 0 1 386.460 0.400 20 0 GCADMN C[C@H](CC(=O)N(C)C1CCN(c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574477230 949647713 /nfs/dbraw/zinc/64/77/13/949647713.db2.gz PELJAAHZJFQGOA-LLVKDONJSA-N 0 1 387.448 0.136 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@@H]1CCC(C)(C)CO1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574715607 949655212 /nfs/dbraw/zinc/65/52/12/949655212.db2.gz JKERSAIRZWCHJY-OLZOCXBDSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2nc[nH]n2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575877106 949658919 /nfs/dbraw/zinc/65/89/19/949658919.db2.gz KURXSTVEQKDEIU-WCQYABFASA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001576169048 949661687 /nfs/dbraw/zinc/66/16/87/949661687.db2.gz XCLKPYIIWTXVEK-VXGBXAGGSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169117 949665820 /nfs/dbraw/zinc/66/58/20/949665820.db2.gz FJZREXCKTQSDCO-ZIAGYGMSSA-N 0 1 387.492 0.459 20 0 GCADMN C[C@H](CC(=O)N(C)CCN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(N)=O ZINC001574477668 949669328 /nfs/dbraw/zinc/66/93/28/949669328.db2.gz UEKDQOWOTZZAEF-LLVKDONJSA-N 0 1 392.439 0.343 20 0 GCADMN C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575273787 949672482 /nfs/dbraw/zinc/67/24/82/949672482.db2.gz YBZZVVKNEDCZBG-KBPBESRZSA-N 0 1 387.492 0.720 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCCN1c1ccc(-c2nnn[n-]2)nn1 ZINC001575878139 949673052 /nfs/dbraw/zinc/67/30/52/949673052.db2.gz NLGPEFDULDQUJJ-UONOGXRCSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575878139 949673061 /nfs/dbraw/zinc/67/30/61/949673061.db2.gz NLGPEFDULDQUJJ-UONOGXRCSA-N 0 1 387.492 0.862 20 0 GCADMN C[C@]1(C(=O)N2C[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCCOC1 ZINC001575552142 949673389 /nfs/dbraw/zinc/67/33/89/949673389.db2.gz AEUGQEDANCVYKV-JCGVRSQUSA-N 0 1 384.444 0.368 20 0 GCADMN C[C@H]1[C@H](NC(=O)CN2CCCC2)CCCN1c1ncc(-c2nn[nH]n2)cc1F ZINC001575878264 949676900 /nfs/dbraw/zinc/67/69/00/949676900.db2.gz OEXGJPYXKIZPCU-SWLSCSKDSA-N 0 1 388.451 0.970 20 0 GCADMN C[C@H]1[C@H](NC(=O)CCc2ccon2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575878807 949681808 /nfs/dbraw/zinc/68/18/08/949681808.db2.gz PGKWKHJAHGJGJM-WCQYABFASA-N 0 1 383.416 0.751 20 0 GCADMN CC1(C(=O)N2C[C@@H](C(F)(F)F)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575552956 949690053 /nfs/dbraw/zinc/69/00/53/949690053.db2.gz LHSKTVVGDYKMLD-RKDXNWHRSA-N 0 1 382.350 0.680 20 0 GCADMN C[C@H]1[C@@H](NC(=O)COCC(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880584 949703165 /nfs/dbraw/zinc/70/31/65/949703165.db2.gz UPFBCHZWORQXDF-UWVGGRQHSA-N 0 1 382.375 0.412 20 0 GCADMN C[C@H]1CCCN(C(=O)COC(C)(C)C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576170052 949706093 /nfs/dbraw/zinc/70/60/93/949706093.db2.gz IWXUSKKNLZKTFI-STQMWFEESA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1ccnc(-c2nnn[n-]2)n1 ZINC001575881275 949711517 /nfs/dbraw/zinc/71/15/17/949711517.db2.gz XAMBGHSCNXUBMM-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881275 949711529 /nfs/dbraw/zinc/71/15/29/949711529.db2.gz XAMBGHSCNXUBMM-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575881275 949711549 /nfs/dbraw/zinc/71/15/49/949711549.db2.gz XAMBGHSCNXUBMM-TZMCWYRMSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574716952 949719162 /nfs/dbraw/zinc/71/91/62/949719162.db2.gz MSDPQJQZMXYHKW-NWDGAFQWSA-N 0 1 390.419 0.896 20 0 GCADMN C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574960791 949729232 /nfs/dbraw/zinc/72/92/32/949729232.db2.gz XSZFMOOQHHDHQU-WCFLWFBJSA-N 0 1 382.432 0.135 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cscn1 ZINC001573818690 949741203 /nfs/dbraw/zinc/74/12/03/949741203.db2.gz OEWGSIXGNWWQIB-NSHDSACASA-N 0 1 387.473 0.721 20 0 GCADMN CC(C)(C)[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573818983 949747128 /nfs/dbraw/zinc/74/71/28/949747128.db2.gz QEWXDGKQECCLOQ-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)(C)[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001573818983 949747139 /nfs/dbraw/zinc/74/71/39/949747139.db2.gz QEWXDGKQECCLOQ-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC1(C(=O)N[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC(F)(F)C1 ZINC001575558879 949747588 /nfs/dbraw/zinc/74/75/88/949747588.db2.gz SWGJBTKGRLDMDU-SNVBAGLBSA-N 0 1 378.387 0.821 20 0 GCADMN C[C@H](NC(=O)CCc1cnc[nH]1)C1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001575277518 949751582 /nfs/dbraw/zinc/75/15/82/949751582.db2.gz QPNUSBSLGZZLDY-JTQLQIEISA-N 0 1 383.416 0.127 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@@H]1COC(=O)C1 ZINC001573819802 949757292 /nfs/dbraw/zinc/75/72/92/949757292.db2.gz VOTJHIWLBZVBPL-FZMZJTMJSA-N 0 1 387.444 0.580 20 0 GCADMN C[C@H]1[C@H](NC(=O)Cc2cscn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882296 949762806 /nfs/dbraw/zinc/76/28/06/949762806.db2.gz ILMQHANWZOLQCO-CMPLNLGQSA-N 0 1 385.457 0.829 20 0 GCADMN C[C@@]1(C(=O)N2C[C@H]3CCN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]3C2)CCCOC1 ZINC001575559882 949766096 /nfs/dbraw/zinc/76/60/96/949766096.db2.gz YUWQVGNYUSCZEN-BIENJYKASA-N 0 1 398.471 0.758 20 0 GCADMN C[C@@H](CC(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccc1 ZINC001574481171 949769802 /nfs/dbraw/zinc/76/98/02/949769802.db2.gz MZECCBOCQNBBII-ZDUSSCGKSA-N 0 1 381.444 0.934 20 0 GCADMN CC(C)(C)[C@H](CNc1ncc(-c2nn[nH]n2)cc1F)NC(=O)Cc1nnc[nH]1 ZINC001573821368 949773549 /nfs/dbraw/zinc/77/35/49/949773549.db2.gz AVSRKXLFEDOSDB-NSHDSACASA-N 0 1 388.411 0.704 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574481383 949776791 /nfs/dbraw/zinc/77/67/91/949776791.db2.gz PAMFORQMTGTWTD-ZIAGYGMSSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574718444 949783381 /nfs/dbraw/zinc/78/33/81/949783381.db2.gz XIIZTVHOASGACD-WDEREUQCSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574718444 949783405 /nfs/dbraw/zinc/78/34/05/949783405.db2.gz XIIZTVHOASGACD-WDEREUQCSA-N 0 1 378.458 0.818 20 0 GCADMN CC1(C(=O)N[C@@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575561899 949818229 /nfs/dbraw/zinc/81/82/29/949818229.db2.gz DKJJBAJNRNLNFE-QWHCGFSZSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](CNC(=O)[C@H]1C[C@H]1C(N)=O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574965960 949826344 /nfs/dbraw/zinc/82/63/44/949826344.db2.gz PYCSDXVQAIRCLK-QYNIQEEDSA-N 0 1 384.853 0.262 20 0 GCADMN CC(C)C[C@H](C)CC(=O)NC[C@@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574142189 949859682 /nfs/dbraw/zinc/85/96/82/949859682.db2.gz XALQNUBALIVDGZ-UGSOOPFHSA-N 0 1 388.476 0.786 20 0 GCADMN CC(C)(C)C1CC(C(=O)N[C@@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@@H]2O)C1 ZINC001573825175 949861552 /nfs/dbraw/zinc/86/15/52/949861552.db2.gz LLLSZJOZWNFJRU-TUUUFIMRSA-N 0 1 386.460 0.395 20 0 GCADMN C[C@H]1CCCN(C(=O)c2csnn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177883 949867746 /nfs/dbraw/zinc/86/77/46/949867746.db2.gz CWWJTCLAPMCUFA-GXSJLCMTSA-N 0 1 386.445 0.283 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574484228 949870970 /nfs/dbraw/zinc/87/09/70/949870970.db2.gz FXLGZRCKLBDZSJ-WDEREUQCSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574484228 949870987 /nfs/dbraw/zinc/87/09/87/949870987.db2.gz FXLGZRCKLBDZSJ-WDEREUQCSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576177997 949871609 /nfs/dbraw/zinc/87/16/09/949871609.db2.gz AITMVEFHYBWSNW-AAEUAGOBSA-N 0 1 380.416 0.221 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccon2)[C@@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178013 949874363 /nfs/dbraw/zinc/87/43/63/949874363.db2.gz AMJYELFXAQJVCZ-DGCLKSJQSA-N 0 1 383.416 0.810 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574724841 949876754 /nfs/dbraw/zinc/87/67/54/949876754.db2.gz KMAJFVXOGAAMCL-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574724841 949876771 /nfs/dbraw/zinc/87/67/71/949876771.db2.gz KMAJFVXOGAAMCL-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CC(=O)N1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001574484594 949887539 /nfs/dbraw/zinc/88/75/39/949887539.db2.gz KLNDBESGJDRIDD-ZIAGYGMSSA-N 0 1 386.460 0.901 20 0 GCADMN C[C@H](NC(=O)COc1ccccc1F)[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575284005 949890356 /nfs/dbraw/zinc/89/03/56/949890356.db2.gz SLFDSXTUWDIGPO-QWRGUYRKSA-N 0 1 386.391 0.602 20 0 GCADMN C[C@H](CNC(=O)c1c2c(nn1C)CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574968398 949899360 /nfs/dbraw/zinc/89/93/60/949899360.db2.gz OYRLLVOUNZZYAL-LLVKDONJSA-N 0 1 381.444 0.526 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574725645 949903449 /nfs/dbraw/zinc/90/34/49/949903449.db2.gz UQRJFTLBSKSWPM-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001574725645 949903461 /nfs/dbraw/zinc/90/34/61/949903461.db2.gz UQRJFTLBSKSWPM-LBPRGKRZSA-N 0 1 375.481 0.893 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1ccnc(-c2nnn[n-]2)n1 ZINC001574725636 949903737 /nfs/dbraw/zinc/90/37/37/949903737.db2.gz UOCJZTPIAFLREY-GFCCVEGCSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725636 949903767 /nfs/dbraw/zinc/90/37/67/949903767.db2.gz UOCJZTPIAFLREY-GFCCVEGCSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@H](CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574725636 949903786 /nfs/dbraw/zinc/90/37/86/949903786.db2.gz UOCJZTPIAFLREY-GFCCVEGCSA-N 0 1 375.481 0.315 20 0 GCADMN C[C@@H](NC[C@H](C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)c1nnnn1C1CC1 ZINC001574968548 949903895 /nfs/dbraw/zinc/90/38/95/949903895.db2.gz PUAYUQSXNAWLIH-VHSXEESVSA-N 0 1 385.436 0.233 20 0 GCADMN CC(C)C[C@@H](C)OCCC(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574144518 949910795 /nfs/dbraw/zinc/91/07/95/949910795.db2.gz OIXKXBTXIAJTGO-KGLIPLIRSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574484959 949914359 /nfs/dbraw/zinc/91/43/59/949914359.db2.gz SJOHPFQOJNTLQV-GHMZBOCLSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574484959 949914372 /nfs/dbraw/zinc/91/43/72/949914372.db2.gz SJOHPFQOJNTLQV-GHMZBOCLSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccnnc2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576179233 949914246 /nfs/dbraw/zinc/91/42/46/949914246.db2.gz FAEMVAYTKSCQFV-WBMJQRKESA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575284913 949923302 /nfs/dbraw/zinc/92/33/02/949923302.db2.gz XBBQWPYSKRHYTD-VXGBXAGGSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575284913 949923317 /nfs/dbraw/zinc/92/33/17/949923317.db2.gz XBBQWPYSKRHYTD-VXGBXAGGSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ccoc2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576179697 949924377 /nfs/dbraw/zinc/92/43/77/949924377.db2.gz BVQOHCPVYPQDBN-OCCSQVGLSA-N 0 1 382.428 0.811 20 0 GCADMN CC(C)(C)/C=C/C(=O)N1CCC(O)(CNc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573828355 949935564 /nfs/dbraw/zinc/93/55/64/949935564.db2.gz RPQWXOFLHFXXHQ-GQCTYLIASA-N 0 1 386.460 0.446 20 0 GCADMN C[C@H](CC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1)n1cccn1 ZINC001574488096 949941922 /nfs/dbraw/zinc/94/19/22/949941922.db2.gz DIXNLJAKXVFWIA-WBMJQRKESA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H]1CCN(C(=O)Cc2ccn[nH]2)C[C@@H]1CNc1ccc(-c2nn[nH]n2)nn1 ZINC001576180193 949942544 /nfs/dbraw/zinc/94/25/44/949942544.db2.gz CRXBGUSYPMEYHL-RYUDHWBXSA-N 0 1 382.432 0.519 20 0 GCADMN C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574488071 949943508 /nfs/dbraw/zinc/94/35/08/949943508.db2.gz DBJYVHUNYKFJLO-OCCSQVGLSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H](NC(=O)CN1CCCC1)[C@@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001575285471 949946540 /nfs/dbraw/zinc/94/65/40/949946540.db2.gz NOYWBRHUEXUIOA-QWHCGFSZSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H](CC(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574488447 949952203 /nfs/dbraw/zinc/95/22/03/949952203.db2.gz GHLBQSLXSNIYOP-KXUCPTDWSA-N 0 1 384.366 0.926 20 0 GCADMN C[C@H](CC(=O)N[C@H](CNc1ccncc1-c1nn[nH]n1)C(C)(C)C)NC(N)=O ZINC001574488893 949952355 /nfs/dbraw/zinc/95/23/55/949952355.db2.gz HBOAHOGSFNALOC-ZWNOBZJWSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576180500 949961909 /nfs/dbraw/zinc/96/19/09/949961909.db2.gz DONSJODEILTLDF-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C1CC1)NC(N)=O ZINC001574489369 949962645 /nfs/dbraw/zinc/96/26/45/949962645.db2.gz JFEGLLHRVIFVPS-CABZTGNLSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C1CC1)NC(N)=O ZINC001574489369 949962667 /nfs/dbraw/zinc/96/26/67/949962667.db2.gz JFEGLLHRVIFVPS-CABZTGNLSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cnc(-c2nnn[n-]2)cn1 ZINC001574727317 949964100 /nfs/dbraw/zinc/96/41/00/949964100.db2.gz RWUONKHKIHISOK-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001574727317 949964115 /nfs/dbraw/zinc/96/41/15/949964115.db2.gz RWUONKHKIHISOK-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN CC(C)C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)CN1CCCC1 ZINC001574147964 949964536 /nfs/dbraw/zinc/96/45/36/949964536.db2.gz HJAHJJXJSPMFGF-CYBMUJFWSA-N 0 1 388.476 0.551 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575285987 949966193 /nfs/dbraw/zinc/96/61/93/949966193.db2.gz SAIGOAKFNJTMRZ-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nnn[n-]3)n2)C1 ZINC001575285987 949966206 /nfs/dbraw/zinc/96/62/06/949966206.db2.gz SAIGOAKFNJTMRZ-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575285987 949966223 /nfs/dbraw/zinc/96/62/23/949966223.db2.gz SAIGOAKFNJTMRZ-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cncc(-c3nn[n-]n3)n2)C1 ZINC001575285987 949966246 /nfs/dbraw/zinc/96/62/46/949966246.db2.gz SAIGOAKFNJTMRZ-UONOGXRCSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)CCc1cnc[nH]1 ZINC001575890891 949970564 /nfs/dbraw/zinc/97/05/64/949970564.db2.gz BDOWGYIEAPMRDI-CMPLNLGQSA-N 0 1 383.416 0.270 20 0 GCADMN CC(C)C[C@@H](CNC(=O)CN1CCCC1)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574148023 949973581 /nfs/dbraw/zinc/97/35/81/949973581.db2.gz IYCUIGMFGZCGHK-ZDUSSCGKSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CC(=O)N1C[C@@H]2C[C@H]1CN2c1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001574490025 949981533 /nfs/dbraw/zinc/98/15/33/949981533.db2.gz NEOXIVXWHBDWHB-RDBSUJKOSA-N 0 1 379.428 0.899 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H](C)NC(N)=O ZINC001574490312 949983357 /nfs/dbraw/zinc/98/33/57/949983357.db2.gz PPYUILSOXICFBT-WDEREUQCSA-N 0 1 392.439 0.389 20 0 GCADMN CC(C)C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@H]1CCCN1C ZINC001574148718 949989337 /nfs/dbraw/zinc/98/93/37/949989337.db2.gz PAXFAEQPVKGZQW-SWLSCSKDSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cn(C)nn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576181211 949991039 /nfs/dbraw/zinc/99/10/39/949991039.db2.gz KRBIIGNOZDQVEA-NHYWBVRUSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H](CN(C)C(=O)Cc1cnn(C)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574728601 949995184 /nfs/dbraw/zinc/99/51/84/949995184.db2.gz FALFOMQFDFDQIJ-GFCCVEGCSA-N 0 1 386.435 0.919 20 0 GCADMN C[C@@]1(C(=O)NC[C@H](CO)[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCCOC1 ZINC001575573519 949999701 /nfs/dbraw/zinc/99/97/01/949999701.db2.gz MSUVAMXRYWPZTH-BDJLRTHQSA-N 0 1 380.474 0.312 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2ccc(F)cn2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891520 950011641 /nfs/dbraw/zinc/01/16/41/950011641.db2.gz KSWQHCNBZMDESQ-JQWIXIFHSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccn(C)c2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576181783 950020798 /nfs/dbraw/zinc/02/07/98/950020798.db2.gz MQJXVNGNCHWJDM-JSGCOSHPSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccncc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182208 950039276 /nfs/dbraw/zinc/03/92/76/950039276.db2.gz NPCLNGMOPFPRTC-JSGCOSHPSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574731442 950046330 /nfs/dbraw/zinc/04/63/30/950046330.db2.gz DUFGDLJCKBSGBJ-JQWIXIFHSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574731442 950046352 /nfs/dbraw/zinc/04/63/52/950046352.db2.gz DUFGDLJCKBSGBJ-JQWIXIFHSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574731443 950048849 /nfs/dbraw/zinc/04/88/49/950048849.db2.gz DUFGDLJCKBSGBJ-PWSUYJOCSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574731443 950048865 /nfs/dbraw/zinc/04/88/65/950048865.db2.gz DUFGDLJCKBSGBJ-PWSUYJOCSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cncn2C)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576182595 950062673 /nfs/dbraw/zinc/06/26/73/950062673.db2.gz ORSNZGKOCAEHEG-RYUDHWBXSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H]1CCN(C(=O)CCCC(N)=O)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182871 950063904 /nfs/dbraw/zinc/06/39/04/950063904.db2.gz NSWUXCSRNBHKEZ-CHWSQXEVSA-N 0 1 386.460 0.236 20 0 GCADMN C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CNc1cnc(-c2nn[n-]n2)cn1 ZINC001576182841 950064648 /nfs/dbraw/zinc/06/46/48/950064648.db2.gz NCWSMAQWNFOJHP-UONOGXRCSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1ncnn1 ZINC001574151256 950065358 /nfs/dbraw/zinc/06/53/58/950065358.db2.gz OHTYCEQWXPPXDY-LLVKDONJSA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1ncnn1 ZINC001574151256 950065380 /nfs/dbraw/zinc/06/53/80/950065380.db2.gz OHTYCEQWXPPXDY-LLVKDONJSA-N 0 1 390.477 0.235 20 0 GCADMN C[C@H](CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574492201 950066971 /nfs/dbraw/zinc/06/69/71/950066971.db2.gz KXZMSPWVEPSNQJ-IYXRBSQSSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC001574976254 950066950 /nfs/dbraw/zinc/06/69/50/950066950.db2.gz OSJVXDAHGYVFMU-SNVBAGLBSA-N 0 1 386.464 0.861 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccns2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183388 950085951 /nfs/dbraw/zinc/08/59/51/950085951.db2.gz RAFMEEUZHZHNRM-MNOVXSKESA-N 0 1 385.457 0.888 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1cc(C2CC2)nn1)Nc1ccncc1-c1nn[nH]n1 ZINC001574732978 950088299 /nfs/dbraw/zinc/08/82/99/950088299.db2.gz OMXCILKJPVRDAA-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@]1(C(=O)NCC2([NH2+]Cc3ccc(-c4nnn[n-]4)s3)CC2)CCNC(=O)C1 ZINC001575577928 950089497 /nfs/dbraw/zinc/08/94/97/950089497.db2.gz YKARNKYQLJGMTJ-INIZCTEOSA-N 0 1 389.485 0.583 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183451 950090838 /nfs/dbraw/zinc/09/08/38/950090838.db2.gz SCCWPWCRZKYZAE-GWCFXTLKSA-N 0 1 385.407 0.899 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cc(F)c[nH]2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183452 950092551 /nfs/dbraw/zinc/09/25/51/950092551.db2.gz SCCWPWCRZKYZAE-GXFFZTMASA-N 0 1 385.407 0.899 20 0 GCADMN C[C@@]1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575582066 950098834 /nfs/dbraw/zinc/09/88/34/950098834.db2.gz DDMYXRNVGVPDPE-IAGOWNOFSA-N 0 1 392.485 0.408 20 0 GCADMN C[C@@]1(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575582066 950098859 /nfs/dbraw/zinc/09/88/59/950098859.db2.gz DDMYXRNVGVPDPE-IAGOWNOFSA-N 0 1 392.485 0.408 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001575894505 950101198 /nfs/dbraw/zinc/10/11/98/950101198.db2.gz DZZVWSGHHSVUJJ-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccccn2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183692 950102370 /nfs/dbraw/zinc/10/23/70/950102370.db2.gz SOYWYUFRCDTIOD-JSGCOSHPSA-N 0 1 379.428 0.826 20 0 GCADMN CC(C)C[C@@H](CNCc1cnns1)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574152456 950105461 /nfs/dbraw/zinc/10/54/61/950105461.db2.gz CMORZCLHDQVAPD-NSHDSACASA-N 0 1 375.462 0.981 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)Nc1ccc(F)cc1 ZINC001574977244 950112073 /nfs/dbraw/zinc/11/20/73/950112073.db2.gz IGDZWWRNJUKURA-JTQLQIEISA-N 0 1 386.391 0.681 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2cnn(C)n2)CCCN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575895184 950114614 /nfs/dbraw/zinc/11/46/14/950114614.db2.gz HTXDPIDLJJUNJK-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574733926 950122404 /nfs/dbraw/zinc/12/24/04/950122404.db2.gz HCBUJODHKNGOTC-WDSKDSINSA-N 0 1 387.857 0.292 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576184581 950133746 /nfs/dbraw/zinc/13/37/46/950133746.db2.gz WPXJDGSNBCSLRJ-OCCSQVGLSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574493556 950137343 /nfs/dbraw/zinc/13/73/43/950137343.db2.gz TZXLDEWWTBFRJS-AAEUAGOBSA-N 0 1 382.432 0.279 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)c1cnn(C)c1 ZINC001574493559 950138504 /nfs/dbraw/zinc/13/85/04/950138504.db2.gz TZXLDEWWTBFRJS-WCQYABFASA-N 0 1 382.432 0.279 20 0 GCADMN C[C@@H](CC(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001574493911 950144736 /nfs/dbraw/zinc/14/47/36/950144736.db2.gz VGQKHCXHKJQYHE-LBPRGKRZSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2=NC(=O)N(C)C2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575898164 950147740 /nfs/dbraw/zinc/14/77/40/950147740.db2.gz QTSUDUCJBNFTBX-JQWIXIFHSA-N 0 1 383.416 0.488 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2=NC(=O)N(C)C2)CCCN1c1ccc(-c2nn[nH]n2)cn1 ZINC001575898166 950150581 /nfs/dbraw/zinc/15/05/81/950150581.db2.gz QTSUDUCJBNFTBX-ZYHUDNBSSA-N 0 1 383.416 0.488 20 0 GCADMN CC1(C(=O)NC[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)CCOCC1 ZINC001575584085 950161131 /nfs/dbraw/zinc/16/11/31/950161131.db2.gz PHMNXBQBUYHGLP-ZDUSSCGKSA-N 0 1 386.460 0.806 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190528 950163468 /nfs/dbraw/zinc/16/34/68/950163468.db2.gz AFGJJLHGNDHEHZ-VXGBXAGGSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1CNCc1csnn1 ZINC001576190424 950163869 /nfs/dbraw/zinc/16/38/69/950163869.db2.gz BGXKNDROCDBINL-CMPLNLGQSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)Nc1nccs1 ZINC001574738223 950168030 /nfs/dbraw/zinc/16/80/30/950168030.db2.gz CTZDEWVLZLEACT-SECBINFHSA-N 0 1 389.445 0.340 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)C[C@@](C)(O)C1CC1 ZINC001574154340 950171408 /nfs/dbraw/zinc/17/14/08/950171408.db2.gz DHUAPIVCDGBBSH-SCLBCKFNSA-N 0 1 388.476 0.573 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)[C@@H]2CCN(c3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576190845 950176911 /nfs/dbraw/zinc/17/69/11/950176911.db2.gz CDMDIOFIDOQKLX-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN CC(C)(C)CC(C)(C)C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@@H]1O ZINC001573843427 950178224 /nfs/dbraw/zinc/17/82/24/950178224.db2.gz XRMQUJHAHMWJAW-NEPJUHHUSA-N 0 1 388.476 0.785 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001574154750 950179585 /nfs/dbraw/zinc/17/95/85/950179585.db2.gz HBLGRCCVNBAJIL-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001574154750 950179598 /nfs/dbraw/zinc/17/95/98/950179598.db2.gz HBLGRCCVNBAJIL-KGLIPLIRSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CCn1cccc1 ZINC001574155002 950180058 /nfs/dbraw/zinc/18/00/58/950180058.db2.gz HSVVJIQTAAVRRK-AWEZNQCLSA-N 0 1 383.460 0.913 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)CN[C@H](C)c1nnnn1C1CC1 ZINC001574982709 950180825 /nfs/dbraw/zinc/18/08/25/950180825.db2.gz GMAWTNHTPJLRNT-NXEZZACHSA-N 0 1 385.436 0.233 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccnn2C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576191096 950182459 /nfs/dbraw/zinc/18/24/59/950182459.db2.gz DNGCTGMRSQKHJD-QWHCGFSZSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2ncccc2F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575900263 950194776 /nfs/dbraw/zinc/19/47/76/950194776.db2.gz CZDSOQJTIVNOCN-CMPLNLGQSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cncnc2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191385 950196820 /nfs/dbraw/zinc/19/68/20/950196820.db2.gz FSVFHWHKFXSFSE-DGCLKSJQSA-N 0 1 380.416 0.079 20 0 GCADMN C[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191580 950201038 /nfs/dbraw/zinc/20/10/38/950201038.db2.gz IMRDUMMORSHWPP-WDEREUQCSA-N 0 1 385.407 0.756 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nnn[n-]2)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574155846 950213864 /nfs/dbraw/zinc/21/38/64/950213864.db2.gz SFMIYIDZOHJREP-ZDUSSCGKSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@H+](C)C1CCC1 ZINC001574155846 950213882 /nfs/dbraw/zinc/21/38/82/950213882.db2.gz SFMIYIDZOHJREP-ZDUSSCGKSA-N 0 1 387.492 0.506 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+](C)C1CCC1 ZINC001574155846 950213897 /nfs/dbraw/zinc/21/38/97/950213897.db2.gz SFMIYIDZOHJREP-ZDUSSCGKSA-N 0 1 387.492 0.506 20 0 GCADMN C[C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192103 950222022 /nfs/dbraw/zinc/22/20/22/950222022.db2.gz LTUIKXYKLUZQME-BOGLJMFRSA-N 0 1 383.456 0.473 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@]1(C)CCCOC1 ZINC001574156093 950223407 /nfs/dbraw/zinc/22/34/07/950223407.db2.gz WPBMKPKHBVDCJU-FZKQIMNGSA-N 0 1 388.476 0.838 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)CC1CCOCC1 ZINC001574156213 950230931 /nfs/dbraw/zinc/23/09/31/950230931.db2.gz ZCLDJBKMKFVGQY-CQSZACIVSA-N 0 1 388.476 0.838 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001574157465 950238006 /nfs/dbraw/zinc/23/80/06/950238006.db2.gz BRPATYMYBWVRKG-STQMWFEESA-N 0 1 386.460 0.105 20 0 GCADMN CC1CCN(CC(=O)N(C)C[C@H](O)CNc2ncccc2-c2nn[nH]n2)CC1 ZINC001576192360 950241829 /nfs/dbraw/zinc/24/18/29/950241829.db2.gz MCBQEMMVTXELRC-CQSZACIVSA-N 0 1 388.476 0.225 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001574157742 950248665 /nfs/dbraw/zinc/24/86/65/950248665.db2.gz HRHUSRHUZIXENJ-VIFPVBQESA-N 0 1 389.445 0.497 20 0 GCADMN C[C@@H](CC(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1)C1CC1 ZINC001574498006 950257392 /nfs/dbraw/zinc/25/73/92/950257392.db2.gz IDVWSLAUMBQZLO-LBPRGKRZSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@@H](CNC(=O)c1cnc[nH]c1=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574984134 950260952 /nfs/dbraw/zinc/26/09/52/950260952.db2.gz VTJKQROEZRESHX-YFKPBYRVSA-N 0 1 381.809 0.703 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192688 950262529 /nfs/dbraw/zinc/26/25/29/950262529.db2.gz PYQZKLZQMFTDOO-CHWSQXEVSA-N 0 1 379.428 0.684 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)CN1CCCC1=O ZINC001574157978 950264603 /nfs/dbraw/zinc/26/46/03/950264603.db2.gz MALCTRIZYKXTJX-ZDUSSCGKSA-N 0 1 386.460 0.249 20 0 GCADMN C[C@H]1CCN(C(=O)c2cccnn2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192757 950266077 /nfs/dbraw/zinc/26/60/77/950266077.db2.gz QUVGTSHCQJIUDQ-NWDGAFQWSA-N 0 1 380.416 0.079 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1nccnc1N ZINC001574157995 950268745 /nfs/dbraw/zinc/26/87/45/950268745.db2.gz MIDVIVWBNISIOT-LLVKDONJSA-N 0 1 382.432 0.312 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)Cc1cnn(C)c1 ZINC001574157986 950270189 /nfs/dbraw/zinc/27/01/89/950270189.db2.gz MEMCUOVHVHWHGJ-CQSZACIVSA-N 0 1 383.460 0.603 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)c1cnn(C)c1N ZINC001574158093 950270648 /nfs/dbraw/zinc/27/06/48/950270648.db2.gz OCLYGXJTXMJLMA-LLVKDONJSA-N 0 1 384.448 0.256 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001576192841 950272027 /nfs/dbraw/zinc/27/20/27/950272027.db2.gz PXUHERILAOCJJQ-DOMZBBRYSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2cnc(-c3nn[n-]n3)cn2)C2CC2)C1 ZINC001576192841 950272043 /nfs/dbraw/zinc/27/20/43/950272043.db2.gz PXUHERILAOCJJQ-DOMZBBRYSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@@H]1CNCc1cnsn1 ZINC001576192961 950275072 /nfs/dbraw/zinc/27/50/72/950275072.db2.gz RUVFGCDPBFCTBH-JQWIXIFHSA-N 0 1 387.473 0.934 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)[C@H]2CCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001576193088 950281857 /nfs/dbraw/zinc/28/18/57/950281857.db2.gz RSPXKAVMGPIDGJ-AWEZNQCLSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C[C@H]1CNCc1nncs1 ZINC001576193200 950284555 /nfs/dbraw/zinc/28/45/55/950284555.db2.gz SLTQANHIOSXPHC-CMPLNLGQSA-N 0 1 387.473 0.934 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575905070 950285368 /nfs/dbraw/zinc/28/53/68/950285368.db2.gz BDGCEVHXBOSPGV-ONGXEEELSA-N 0 1 386.441 0.817 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)c1ccc(=O)[nH]n1 ZINC001575905070 950285388 /nfs/dbraw/zinc/28/53/88/950285388.db2.gz BDGCEVHXBOSPGV-ONGXEEELSA-N 0 1 386.441 0.817 20 0 GCADMN C[C@@H](CC(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CC1)c1cnn(C)c1 ZINC001574498916 950290272 /nfs/dbraw/zinc/29/02/72/950290272.db2.gz RHLPUFAMAVKUGQ-LBPRGKRZSA-N 0 1 381.444 0.672 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cn(C)nn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193317 950290283 /nfs/dbraw/zinc/29/02/83/950290283.db2.gz SRWWWPCYTHAGLA-NEPJUHHUSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cnn(C)c2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193310 950293453 /nfs/dbraw/zinc/29/34/53/950293453.db2.gz SLVMWZKKFFZVKA-OLZOCXBDSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@H](CC(=O)NCC1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574499214 950296851 /nfs/dbraw/zinc/29/68/51/950296851.db2.gz TZIMRYQUFYWIHV-PNESKVBLSA-N 0 1 382.432 0.233 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@]1(F)CCOC1 ZINC001574159244 950297170 /nfs/dbraw/zinc/29/71/70/950297170.db2.gz UQLOYMPGFQFHIB-YVEFUNNKSA-N 0 1 377.424 0.755 20 0 GCADMN C[C@@]1(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCC(=O)NC1 ZINC001575592837 950298687 /nfs/dbraw/zinc/29/86/87/950298687.db2.gz CLBKJGDEZGCKKM-LJQANCHMSA-N 0 1 383.456 0.331 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)C2CC(Nc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576193680 950313477 /nfs/dbraw/zinc/31/34/77/950313477.db2.gz VIMICRZJXCCBAX-UHFFFAOYSA-N 0 1 385.476 0.212 20 0 GCADMN CC(C)C[C@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)CC(N)=O ZINC001574159757 950316351 /nfs/dbraw/zinc/31/63/51/950316351.db2.gz IIMHBVWYMKYCTA-SSDOTTSWSA-N 0 1 386.869 0.795 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cnns2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193898 950317182 /nfs/dbraw/zinc/31/71/82/950317182.db2.gz VWCDIYQNFMMORW-ZJUUUORDSA-N 0 1 386.445 0.140 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnc[nH]c1=O ZINC001575907392 950332665 /nfs/dbraw/zinc/33/26/65/950332665.db2.gz OBJFUICLNOXWFE-BXKDBHETSA-N 0 1 386.441 0.817 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574743757 950340199 /nfs/dbraw/zinc/34/01/99/950340199.db2.gz VVSLLFDZQWSJAG-QYNIQEEDSA-N 0 1 384.853 0.357 20 0 GCADMN CC(C)C[C@H](CNc1ncccc1-c1nn[nH]n1)NC(=O)CCc1nc[nH]n1 ZINC001574161227 950351037 /nfs/dbraw/zinc/35/10/37/950351037.db2.gz SCVVFMVMAIGNCH-GFCCVEGCSA-N 0 1 384.448 0.955 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574502067 950353114 /nfs/dbraw/zinc/35/31/14/950353114.db2.gz IKNKNWVDCASIPI-QWRGUYRKSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574502067 950353134 /nfs/dbraw/zinc/35/31/34/950353134.db2.gz IKNKNWVDCASIPI-QWRGUYRKSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576196234 950353874 /nfs/dbraw/zinc/35/38/74/950353874.db2.gz BGPRNGOCLFHRHZ-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196234 950353891 /nfs/dbraw/zinc/35/38/91/950353891.db2.gz BGPRNGOCLFHRHZ-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2CN(C)c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576196234 950353907 /nfs/dbraw/zinc/35/39/07/950353907.db2.gz BGPRNGOCLFHRHZ-UONOGXRCSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H](CN(C)C(=O)c1c(Cl)cnn1C)Nc1ccncc1-c1nn[nH]n1 ZINC001574744591 950357281 /nfs/dbraw/zinc/35/72/81/950357281.db2.gz ZSYINKLBWMKUML-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN CC(C)(C)NC(=O)CN1C[C@@H]2[C@@H](CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]2C1 ZINC001573855261 950362083 /nfs/dbraw/zinc/36/20/83/950362083.db2.gz NSDPFOWWNNEPQY-CNDDSTCGSA-N 0 1 386.460 0.017 20 0 GCADMN C[C@@H]1[C@H](Nc2cnc(-c3nn[n-]n3)cn2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001576196718 950373169 /nfs/dbraw/zinc/37/31/69/950373169.db2.gz GGRPGXNXODJXLQ-ZIAGYGMSSA-N 0 1 385.476 0.790 20 0 GCADMN CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C(=O)[O-])CN(C(=O)OC(C)(C)C)CCO2)C1 ZINC001589715565 950373938 /nfs/dbraw/zinc/37/39/38/950373938.db2.gz TVGAQRLZQXJJPL-LIRRHRJNSA-N 0 1 399.488 0.877 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576196755 950374588 /nfs/dbraw/zinc/37/45/88/950374588.db2.gz HFDAUVIMBGGLJT-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3cnc(-c4nn[n-]n4)cn3)CC2)C1 ZINC001576196755 950374609 /nfs/dbraw/zinc/37/46/09/950374609.db2.gz HFDAUVIMBGGLJT-CYBMUJFWSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574745187 950377660 /nfs/dbraw/zinc/37/76/60/950377660.db2.gz GRUMXINLYGTTMP-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc(C(N)=O)c[nH]1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574745187 950377682 /nfs/dbraw/zinc/37/76/82/950377682.db2.gz GRUMXINLYGTTMP-SECBINFHSA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H]1[C@@H](NCc2cc3n(n2)CCC3)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908840 950378729 /nfs/dbraw/zinc/37/87/29/950378729.db2.gz WCZCDPHIZAKGGG-ABAIWWIYSA-N 0 1 381.444 0.730 20 0 GCADMN CC(C)(C)C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001573855575 950382659 /nfs/dbraw/zinc/38/26/59/950382659.db2.gz YKVPFVBMKBAZFC-UMSGYPCISA-N 0 1 386.460 0.395 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576197403 950389721 /nfs/dbraw/zinc/38/97/21/950389721.db2.gz NERWYMSGHKQUQW-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576197403 950389749 /nfs/dbraw/zinc/38/97/49/950389749.db2.gz NERWYMSGHKQUQW-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N(CCO)CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576197408 950392095 /nfs/dbraw/zinc/39/20/95/950392095.db2.gz NFLMAZXJOWAXIQ-ZDUSSCGKSA-N 0 1 391.451 0.580 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N(CCO)CCNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001576197408 950392113 /nfs/dbraw/zinc/39/21/13/950392113.db2.gz NFLMAZXJOWAXIQ-ZDUSSCGKSA-N 0 1 391.451 0.580 20 0 GCADMN CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(-c3nn[nH]n3)o2)CO1 ZINC001573856729 950394527 /nfs/dbraw/zinc/39/45/27/950394527.db2.gz GYECWBWULMJVNV-QMMMGPOBSA-N 0 1 386.390 0.289 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)C1=COCCO1 ZINC001575909362 950395554 /nfs/dbraw/zinc/39/55/54/950395554.db2.gz YXCKLZGWPJHLRX-ZYHUDNBSSA-N 0 1 376.442 0.895 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)C1=COCCO1 ZINC001575909362 950395575 /nfs/dbraw/zinc/39/55/75/950395575.db2.gz YXCKLZGWPJHLRX-ZYHUDNBSSA-N 0 1 376.442 0.895 20 0 GCADMN CC1CC[NH+](CC(=O)N(C)CCCN(C)c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC001576197991 950399907 /nfs/dbraw/zinc/39/99/07/950399907.db2.gz QUVICEOSGSZGRS-UHFFFAOYSA-N 0 1 387.492 0.673 20 0 GCADMN C[C@H]1[C@@H](NCc2ncc(Cl)n2C)CCN1C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575909552 950401850 /nfs/dbraw/zinc/40/18/50/950401850.db2.gz HKQVOCYVUOUFIB-UWVGGRQHSA-N 0 1 389.851 0.975 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)C1 ZINC001576198078 950403152 /nfs/dbraw/zinc/40/31/52/950403152.db2.gz RUTFGJKHWKPQFO-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3nccnc3-c3nnn[n-]3)C(C)(C)C2)C1 ZINC001576198078 950403162 /nfs/dbraw/zinc/40/31/62/950403162.db2.gz RUTFGJKHWKPQFO-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)C1 ZINC001576198078 950403174 /nfs/dbraw/zinc/40/31/74/950403174.db2.gz RUTFGJKHWKPQFO-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3nccnc3-c3nn[n-]n3)C(C)(C)C2)C1 ZINC001576198078 950403186 /nfs/dbraw/zinc/40/31/86/950403186.db2.gz RUTFGJKHWKPQFO-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(C(F)F)n(C)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574747169 950404276 /nfs/dbraw/zinc/40/42/76/950404276.db2.gz RVVWNLBELMVSRO-VIFPVBQESA-N 0 1 391.386 0.927 20 0 GCADMN C[C@@H]1[C@@H](NCc2ncc(Cl)n2C)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575909863 950408488 /nfs/dbraw/zinc/40/84/88/950408488.db2.gz IROCXWSGPOFPBW-KOLCDFICSA-N 0 1 389.851 0.975 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576198389 950411323 /nfs/dbraw/zinc/41/13/23/950411323.db2.gz SICLKXHOPIRDTO-KBPBESRZSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576198389 950411335 /nfs/dbraw/zinc/41/13/35/950411335.db2.gz SICLKXHOPIRDTO-KBPBESRZSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576198389 950411343 /nfs/dbraw/zinc/41/13/43/950411343.db2.gz SICLKXHOPIRDTO-KBPBESRZSA-N 0 1 385.476 0.213 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574162979 950411968 /nfs/dbraw/zinc/41/19/68/950411968.db2.gz ORBOYWBXTSXDGW-CYBMUJFWSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574162979 950411978 /nfs/dbraw/zinc/41/19/78/950411978.db2.gz ORBOYWBXTSXDGW-CYBMUJFWSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576198863 950414742 /nfs/dbraw/zinc/41/47/42/950414742.db2.gz WASHWEZCLVDTKS-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576198863 950414757 /nfs/dbraw/zinc/41/47/57/950414757.db2.gz WASHWEZCLVDTKS-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576198863 950414765 /nfs/dbraw/zinc/41/47/65/950414765.db2.gz WASHWEZCLVDTKS-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576198863 950414775 /nfs/dbraw/zinc/41/47/75/950414775.db2.gz WASHWEZCLVDTKS-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]CCn2cnc(-c3nn[n-]n3)n2)C1 ZINC001573860046 950416673 /nfs/dbraw/zinc/41/66/73/950416673.db2.gz BVICQMICFFKBPH-NEPJUHHUSA-N 0 1 377.453 0.741 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576199242 950419108 /nfs/dbraw/zinc/41/91/08/950419108.db2.gz XUOFPCPKJUEEIY-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576199242 950419116 /nfs/dbraw/zinc/41/91/16/950419116.db2.gz XUOFPCPKJUEEIY-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576199242 950419125 /nfs/dbraw/zinc/41/91/25/950419125.db2.gz XUOFPCPKJUEEIY-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576199242 950419134 /nfs/dbraw/zinc/41/91/34/950419134.db2.gz XUOFPCPKJUEEIY-ZDUSSCGKSA-N 0 1 385.476 0.649 20 0 GCADMN CC1CCN(CC(=O)NC2(CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2)CC1 ZINC001576202825 950434189 /nfs/dbraw/zinc/43/41/89/950434189.db2.gz CGCCCUSPWWQZHP-UHFFFAOYSA-N 0 1 386.460 0.305 20 0 GCADMN CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573861034 950436792 /nfs/dbraw/zinc/43/67/92/950436792.db2.gz PTVONVBNMNWZTB-SNVBAGLBSA-N 0 1 391.436 0.220 20 0 GCADMN CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001573861033 950437498 /nfs/dbraw/zinc/43/74/98/950437498.db2.gz PTVONVBNMNWZTB-JTQLQIEISA-N 0 1 391.436 0.220 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574750700 950439699 /nfs/dbraw/zinc/43/96/99/950439699.db2.gz GBTVWRSIDWZHOZ-MNOVXSKESA-N 0 1 385.432 0.373 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576202881 950440502 /nfs/dbraw/zinc/44/05/02/950440502.db2.gz DOZGYTOMCJFVOY-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576202881 950440517 /nfs/dbraw/zinc/44/05/17/950440517.db2.gz DOZGYTOMCJFVOY-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576202881 950440531 /nfs/dbraw/zinc/44/05/31/950440531.db2.gz DOZGYTOMCJFVOY-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576202881 950440543 /nfs/dbraw/zinc/44/05/43/950440543.db2.gz DOZGYTOMCJFVOY-CYBMUJFWSA-N 0 1 385.476 0.474 20 0 GCADMN CC1CCN(CC(=O)N[C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001576203354 950443652 /nfs/dbraw/zinc/44/36/52/950443652.db2.gz GVRDZJJMSJINAR-ZDUSSCGKSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C)C1 ZINC001576203638 950444624 /nfs/dbraw/zinc/44/46/24/950444624.db2.gz HITKHOKSLRYFGL-TZMCWYRMSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CNc2ccc(-c3nn[n-]n3)nn2)C(C)(C)C)C1 ZINC001576203638 950444638 /nfs/dbraw/zinc/44/46/38/950444638.db2.gz HITKHOKSLRYFGL-TZMCWYRMSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC2(CNc3ccnc(-c4nn[n-]n4)n3)CCCC2)C1 ZINC001576203798 950448873 /nfs/dbraw/zinc/44/88/73/950448873.db2.gz JWORODIEBUEENU-CYBMUJFWSA-N 0 1 385.476 0.261 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC2(CNc3ccnc(-c4nn[n-]n4)n3)CCCC2)C1 ZINC001576203800 950449812 /nfs/dbraw/zinc/44/98/12/950449812.db2.gz JWORODIEBUEENU-ZDUSSCGKSA-N 0 1 385.476 0.261 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576204057 950453033 /nfs/dbraw/zinc/45/30/33/950453033.db2.gz KNPMHWCBZXPDDR-XIKOKIGWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2ccc(-c3nn[n-]n3)nn2)C2CC2)C1 ZINC001576204057 950453037 /nfs/dbraw/zinc/45/30/37/950453037.db2.gz KNPMHWCBZXPDDR-XIKOKIGWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576204711 950473074 /nfs/dbraw/zinc/47/30/74/950473074.db2.gz AXMDBLQIAPFKFD-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NCC2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576204711 950473091 /nfs/dbraw/zinc/47/30/91/950473091.db2.gz AXMDBLQIAPFKFD-CYBMUJFWSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc2n(c1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574752124 950474439 /nfs/dbraw/zinc/47/44/39/950474439.db2.gz TXEJKJYOSARCBW-GFCCVEGCSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574508872 950486044 /nfs/dbraw/zinc/48/60/44/950486044.db2.gz PSABYCKIOOMCGX-DCAQKATOSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@@H](CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574508872 950486060 /nfs/dbraw/zinc/48/60/60/950486060.db2.gz PSABYCKIOOMCGX-DCAQKATOSA-N 0 1 392.489 0.360 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576205064 950491804 /nfs/dbraw/zinc/49/18/04/950491804.db2.gz GDFHVTCJTDFUJN-LSDHHAIUSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001576205064 950491815 /nfs/dbraw/zinc/49/18/15/950491815.db2.gz GDFHVTCJTDFUJN-LSDHHAIUSA-N 0 1 384.488 0.936 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576205016 950493250 /nfs/dbraw/zinc/49/32/50/950493250.db2.gz FPQDWNWSMVLNMS-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576205016 950493258 /nfs/dbraw/zinc/49/32/58/950493258.db2.gz FPQDWNWSMVLNMS-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576205016 950493271 /nfs/dbraw/zinc/49/32/71/950493271.db2.gz FPQDWNWSMVLNMS-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576205016 950493285 /nfs/dbraw/zinc/49/32/85/950493285.db2.gz FPQDWNWSMVLNMS-UONOGXRCSA-N 0 1 385.476 0.331 20 0 GCADMN CC1CCN(CC(=O)NC[C@H](CO)Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001576205201 950501275 /nfs/dbraw/zinc/50/12/75/950501275.db2.gz HBNMAUSPIZWVIZ-CYBMUJFWSA-N 0 1 392.439 0.022 20 0 GCADMN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574509292 950503579 /nfs/dbraw/zinc/50/35/79/950503579.db2.gz PSMWVAWDHWCOST-VHSXEESVSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574509292 950503598 /nfs/dbraw/zinc/50/35/98/950503598.db2.gz PSMWVAWDHWCOST-VHSXEESVSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576205186 950504245 /nfs/dbraw/zinc/50/42/45/950504245.db2.gz GWPAHAPKIMLGHX-ZIAGYGMSSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576205186 950504265 /nfs/dbraw/zinc/50/42/65/950504265.db2.gz GWPAHAPKIMLGHX-ZIAGYGMSSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576205271 950506269 /nfs/dbraw/zinc/50/62/69/950506269.db2.gz IDZZZYSEHPJXQS-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCCN2c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576205271 950506282 /nfs/dbraw/zinc/50/62/82/950506282.db2.gz IDZZZYSEHPJXQS-ZIAGYGMSSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C(C)(C)C)C1 ZINC001576205333 950509701 /nfs/dbraw/zinc/50/97/01/950509701.db2.gz XLYDEDSLTYIHKT-CHWSQXEVSA-N 0 1 387.492 0.363 20 0 GCADMN C[C@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NC(=O)c1ccc2cncn2c1 ZINC001574995390 950512834 /nfs/dbraw/zinc/51/28/34/950512834.db2.gz ZITWNNOJGSHRBF-SNVBAGLBSA-N 0 1 379.384 0.391 20 0 GCADMN CC1CC[NH+](CC(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)nn3)C2)CC1 ZINC001576205368 950513631 /nfs/dbraw/zinc/51/36/31/950513631.db2.gz YRXKIHXDESQBIN-UHFFFAOYSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)(C)OCC(=O)N1CCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573866952 950519249 /nfs/dbraw/zinc/51/92/49/950519249.db2.gz 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CC1CCN(CC(=O)NC[C@@H]2CCN(c3ncccc3-c3nn[nH]n3)C2)CC1 ZINC001576205680 950535143 /nfs/dbraw/zinc/53/51/43/950535143.db2.gz MLDQBVJOOSNGCR-HNNXBMFYSA-N 0 1 384.488 0.936 20 0 GCADMN CC1CCN(CC(=O)NC[C@H](O)CNc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001576205975 950547102 /nfs/dbraw/zinc/54/71/02/950547102.db2.gz SERZOPYGYXNCIF-ZDUSSCGKSA-N 0 1 392.439 0.022 20 0 GCADMN C[C@@H](CNC(=O)CN1CCC(C)CC1)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576205934 950547666 /nfs/dbraw/zinc/54/76/66/950547666.db2.gz RKABJJVBHNJOGD-ZDUSSCGKSA-N 0 1 388.476 0.409 20 0 GCADMN CC(C)(C)OCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001573868908 950550740 /nfs/dbraw/zinc/55/07/40/950550740.db2.gz HXVATPCCTCCHHJ-HZPDHXFCSA-N 0 1 388.472 0.733 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(C)(C)C)n[nH]1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574997920 950552969 /nfs/dbraw/zinc/55/29/69/950552969.db2.gz ZDTRWCYZNGLTDC-SNVBAGLBSA-N 0 1 384.448 0.577 20 0 GCADMN CC(C)(C)OCC(=O)N[C@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573869174 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SDZHPXSNZGDIFJ-UHFFFAOYSA-N 0 1 379.380 0.792 20 0 GCADMN CC(C)(C)OCC(=O)N[C@@H]1CCCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573869173 950556117 /nfs/dbraw/zinc/55/61/17/950556117.db2.gz MCSCFLGZEJHYDG-CHWSQXEVSA-N 0 1 388.476 0.981 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001574753967 950556440 /nfs/dbraw/zinc/55/64/40/950556440.db2.gz ISYRLQLIQAQRKS-HBNTYKKESA-N 0 1 383.416 0.298 20 0 GCADMN C[C@]1(C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(-c5nn[nH]n5)c(F)c4)C[C@H]32)CCOC1 ZINC001575614907 950563049 /nfs/dbraw/zinc/56/30/49/950563049.db2.gz VCUCBIWKXGDESD-ZDXGLAPJSA-N 0 1 386.431 0.979 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O)c1ccco1 ZINC001574511691 950572075 /nfs/dbraw/zinc/57/20/75/950572075.db2.gz QITKCJYCNYBTPU-QJPTWQEYSA-N 0 1 384.400 0.109 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576206655 950574807 /nfs/dbraw/zinc/57/48/07/950574807.db2.gz YPQMBFLWYUZSPD-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NCC[C@H]2CCN(c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576206655 950574833 /nfs/dbraw/zinc/57/48/33/950574833.db2.gz YPQMBFLWYUZSPD-KBPBESRZSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001576206600 950574994 /nfs/dbraw/zinc/57/49/94/950574994.db2.gz YBGPPRVNMKVDFK-OCCSQVGLSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)CC2(C)C)C1 ZINC001576206600 950575020 /nfs/dbraw/zinc/57/50/20/950575020.db2.gz YBGPPRVNMKVDFK-OCCSQVGLSA-N 0 1 385.476 0.330 20 0 GCADMN C[C@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575918159 950586274 /nfs/dbraw/zinc/58/62/74/950586274.db2.gz ATFMXXLYXDSVGZ-QWHCGFSZSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCCn1cccn1 ZINC001575918158 950586456 /nfs/dbraw/zinc/58/64/56/950586456.db2.gz ATFMXXLYXDSVGZ-OLZOCXBDSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@@H](CNC(=O)c1cc2c(cn1)OCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575000034 950594700 /nfs/dbraw/zinc/59/47/00/950594700.db2.gz ABVOIRUYJSBIGM-JTQLQIEISA-N 0 1 381.400 0.029 20 0 GCADMN CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001576207141 950596634 /nfs/dbraw/zinc/59/66/34/950596634.db2.gz DETSYWJIDNMGIO-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1nccnc1-c1nnn[n-]1 ZINC001576207141 950596648 /nfs/dbraw/zinc/59/66/48/950596648.db2.gz DETSYWJIDNMGIO-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001576207141 950596655 /nfs/dbraw/zinc/59/66/55/950596655.db2.gz DETSYWJIDNMGIO-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1nccnc1-c1nn[n-]n1 ZINC001576207141 950596670 /nfs/dbraw/zinc/59/66/70/950596670.db2.gz DETSYWJIDNMGIO-UONOGXRCSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576208076 950603802 /nfs/dbraw/zinc/60/38/02/950603802.db2.gz MIZHICIUORWVTP-HZSPNIEDSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nnn[n-]3)C2)C1 ZINC001576208076 950603816 /nfs/dbraw/zinc/60/38/16/950603816.db2.gz MIZHICIUORWVTP-HZSPNIEDSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576208076 950603829 /nfs/dbraw/zinc/60/38/29/950603829.db2.gz MIZHICIUORWVTP-HZSPNIEDSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3nccnc3-c3nn[n-]n3)C2)C1 ZINC001576208076 950603841 /nfs/dbraw/zinc/60/38/41/950603841.db2.gz MIZHICIUORWVTP-HZSPNIEDSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)C1 ZINC001576208448 950610000 /nfs/dbraw/zinc/61/00/00/950610000.db2.gz QBOCAOKFPCTBOC-BFHYXJOUSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@H]2C)C1 ZINC001576208448 950610009 /nfs/dbraw/zinc/61/00/09/950610009.db2.gz QBOCAOKFPCTBOC-BFHYXJOUSA-N 0 1 385.476 0.187 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cc(Cl)cn1C ZINC001575919360 950610669 /nfs/dbraw/zinc/61/06/69/950610669.db2.gz GZPUWXMYGWSEBP-ONGXEEELSA-N 0 1 387.835 0.786 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C2CC2)nn1C)CNc1ccncc1-c1nn[nH]n1 ZINC001575000700 950613915 /nfs/dbraw/zinc/61/39/15/950613915.db2.gz RUFBUGOTDVIROF-LLVKDONJSA-N 0 1 381.444 0.773 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cccc(N(C)C)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574758590 950617236 /nfs/dbraw/zinc/61/72/36/950617236.db2.gz DYECUCRYIGAOFX-LBPRGKRZSA-N 0 1 381.444 0.717 20 0 GCADMN CC1CC[NH+](CC(=O)NCCN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)CC1 ZINC001576208957 950623394 /nfs/dbraw/zinc/62/33/94/950623394.db2.gz VXOLNSNJGQAQTB-UHFFFAOYSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574517668 950644566 /nfs/dbraw/zinc/64/45/66/950644566.db2.gz KXZMSPWVEPSNQJ-IHRRRGAJSA-N 0 1 381.444 0.838 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(F)F)ncn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575002035 950650979 /nfs/dbraw/zinc/65/09/79/950650979.db2.gz YQQWCQIKXOUTDL-MRVPVSSYSA-N 0 1 390.358 0.284 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C(F)(F)F ZINC001574518263 950651428 /nfs/dbraw/zinc/65/14/28/950651428.db2.gz MZPMAMFIQQZODT-GUBZILKMSA-N 0 1 384.366 0.974 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575002005 950651709 /nfs/dbraw/zinc/65/17/09/950651709.db2.gz YHTGOKAJMLALQM-VIFPVBQESA-N 0 1 386.391 0.341 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CCc1ccncc1 ZINC001575923275 950654731 /nfs/dbraw/zinc/65/47/31/950654731.db2.gz QDBRWZWDARHWJA-TZMCWYRMSA-N 0 1 379.428 0.508 20 0 GCADMN CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cn(CC(=O)[O-])nn2)CC1 ZINC001589744594 950658261 /nfs/dbraw/zinc/65/82/61/950658261.db2.gz VNEGZXPSEKWZOD-UHFFFAOYSA-N 0 1 386.456 0.430 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1nn(C)cc1Cl ZINC001575923347 950661110 /nfs/dbraw/zinc/66/11/10/950661110.db2.gz RBISLSIASWXOFR-WPRPVWTQSA-N 0 1 388.823 0.181 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCCn1cncn1 ZINC001575924177 950668854 /nfs/dbraw/zinc/66/88/54/950668854.db2.gz RTVHCTUUMDKBDO-OCCSQVGLSA-N 0 1 382.432 0.157 20 0 GCADMN C[C@H](CNC(=O)c1cc(N(C)C)ccn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575002752 950669455 /nfs/dbraw/zinc/66/94/55/950669455.db2.gz WMKSLFAVCQZODY-NSHDSACASA-N 0 1 382.432 0.018 20 0 GCADMN C[C@H]1[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)CC1CC(F)(F)C1 ZINC001575924258 950670811 /nfs/dbraw/zinc/67/08/11/950670811.db2.gz RYFXHRAVOADRBY-ONGXEEELSA-N 0 1 378.387 0.915 20 0 GCADMN CC1(C)CC(C(=O)N2CCC(O)(CNc3ccncc3-c3nn[nH]n3)CC2)C1 ZINC001575624606 950670918 /nfs/dbraw/zinc/67/09/18/950670918.db2.gz KXCYHZFSYXNGMS-UHFFFAOYSA-N 0 1 385.472 0.885 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1n[nH]c2ccccc21 ZINC001575924540 950676068 /nfs/dbraw/zinc/67/60/68/950676068.db2.gz SHSRXZCKKVXBPX-ZYHUDNBSSA-N 0 1 390.411 0.670 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)Cn1cc(Cl)cn1 ZINC001575924833 950676971 /nfs/dbraw/zinc/67/69/71/950676971.db2.gz FRJUQZUYHSPUOZ-GWCFXTLKSA-N 0 1 387.835 0.635 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cn(C)nc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574760998 950687311 /nfs/dbraw/zinc/68/73/11/950687311.db2.gz PYJLIIQRGUGBBH-JTQLQIEISA-N 0 1 382.432 0.262 20 0 GCADMN C[C@H](CNC(=O)c1cnn2c1C[C@@H](C)CC2)Nc1ccncc1-c1nn[nH]n1 ZINC001576215117 950690873 /nfs/dbraw/zinc/69/08/73/950690873.db2.gz DESRVDSPBZRAKX-NWDGAFQWSA-N 0 1 381.444 0.693 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1scnc1Cl ZINC001575925751 950692964 /nfs/dbraw/zinc/69/29/64/950692964.db2.gz USPYBLVXXCWVEF-HTQZYQBOSA-N 0 1 391.848 0.904 20 0 GCADMN CC(C)n1cnc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C)c1 ZINC001575925776 950693947 /nfs/dbraw/zinc/69/39/47/950693947.db2.gz UUVHPWCQUCIXSZ-NEPJUHHUSA-N 0 1 382.432 0.571 20 0 GCADMN C[C@H](CN(C)C(=O)c1ccnn1C1CCC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574761575 950695657 /nfs/dbraw/zinc/69/56/57/950695657.db2.gz SLLFUBJZDNESME-LLVKDONJSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1CCCO1 ZINC001574519761 950695857 /nfs/dbraw/zinc/69/58/57/950695857.db2.gz YNKNDPJVQJDSKL-XUXIUFHCSA-N 0 1 386.460 0.591 20 0 GCADMN C[C@@H]1[C@H](Nc2ccnc(-c3nn[nH]n3)n2)CCN1C(=O)c1cn(C)nc1Cl ZINC001575926182 950699488 /nfs/dbraw/zinc/69/94/88/950699488.db2.gz VWJOJXLJEYVOFM-PSASIEDQSA-N 0 1 388.823 0.181 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@H]1CCCO1 ZINC001574520013 950707108 /nfs/dbraw/zinc/70/71/08/950707108.db2.gz ZSBLZOKQKBYNND-LVYCXYHQSA-N 0 1 384.444 0.413 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccc2ncnn21 ZINC001575926348 950708062 /nfs/dbraw/zinc/70/80/62/950708062.db2.gz JLACBLOJAGEARP-AAEUAGOBSA-N 0 1 390.411 0.441 20 0 GCADMN C[C@H](CC(=O)N[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)[C@@H]1CCCO1 ZINC001574520015 950709514 /nfs/dbraw/zinc/70/95/14/950709514.db2.gz ZSBLZOKQKBYNND-WSGDXGOYSA-N 0 1 384.444 0.413 20 0 GCADMN C[C@@H](CNC(=O)c1cc2n(n1)CCCC2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575006513 950719496 /nfs/dbraw/zinc/71/94/96/950719496.db2.gz VFLZXGSGIQDHTR-NSHDSACASA-N 0 1 382.432 0.444 20 0 GCADMN C[C@H](CN(C)C(=O)c1cnn(C)c1N)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574763658 950726455 /nfs/dbraw/zinc/72/64/55/950726455.db2.gz HJQUMBWHRDVZSW-SNVBAGLBSA-N 0 1 387.423 0.572 20 0 GCADMN C[C@@H](CNC(=O)c1cnn2c1C[C@H](C)CC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576216291 950727604 /nfs/dbraw/zinc/72/76/04/950727604.db2.gz HOPJPJPMWQLVPW-MNOVXSKESA-N 0 1 382.432 0.088 20 0 GCADMN CC(C)(C)c1cc(C(=O)NC[C@@H](CO)Nc2ccncc2-c2nn[nH]n2)no1 ZINC001573879762 950733697 /nfs/dbraw/zinc/73/36/97/950733697.db2.gz LGXDQIUWKWQYAP-JTQLQIEISA-N 0 1 386.416 0.172 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnn(CCF)c1 ZINC001575927089 950735594 /nfs/dbraw/zinc/73/55/94/950735594.db2.gz NGWUTGASGYDXDG-SMDDNHRTSA-N 0 1 385.407 0.565 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764025 950743509 /nfs/dbraw/zinc/74/35/09/950743509.db2.gz PHFNTQNUQRNYFP-QMMMGPOBSA-N 0 1 378.347 0.243 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(=O)n(C)c1 ZINC001575927482 950743551 /nfs/dbraw/zinc/74/35/51/950743551.db2.gz PQTYRTJHGFEGRU-BXUZGUMPSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1coc(C(N)=O)c1 ZINC001575927645 950748516 /nfs/dbraw/zinc/74/85/16/950748516.db2.gz RFZNGKOAKHDUSJ-BXKDBHETSA-N 0 1 382.384 0.091 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2cccnn21 ZINC001575927697 950752753 /nfs/dbraw/zinc/75/27/53/950752753.db2.gz SIILZZQEALUFKE-AAEUAGOBSA-N 0 1 390.411 0.441 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927736 950755170 /nfs/dbraw/zinc/75/51/70/950755170.db2.gz SYOLLADOWIKZQH-SMDDNHRTSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cccn(C)c1=O ZINC001575927734 950756030 /nfs/dbraw/zinc/75/60/30/950756030.db2.gz SYOLLADOWIKZQH-FZMZJTMJSA-N 0 1 380.412 0.097 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn2c(n1)CC[C@H](C)C2 ZINC001576217321 950756108 /nfs/dbraw/zinc/75/61/08/950756108.db2.gz MJBKWXNTTREMQI-QWRGUYRKSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CN[C@H](C)c1nnnn1C1CC1 ZINC001575008900 950760793 /nfs/dbraw/zinc/76/07/93/950760793.db2.gz JXZLTKAUSGXOTJ-NXEZZACHSA-N 0 1 385.436 0.233 20 0 GCADMN C[C@@H](NC[C@H](C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)c1nnnn1C1CC1 ZINC001575008902 950762083 /nfs/dbraw/zinc/76/20/83/950762083.db2.gz JXZLTKAUSGXOTJ-VHSXEESVSA-N 0 1 385.436 0.233 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@H](C)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574182487 950762267 /nfs/dbraw/zinc/76/22/67/950762267.db2.gz WSTZJZUFZAEXDQ-CHWSQXEVSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1cnc2n[nH]nc2c1 ZINC001575927923 950763688 /nfs/dbraw/zinc/76/36/88/950763688.db2.gz WHEHSAVHIHEGMQ-JOYOIKCWSA-N 0 1 391.399 0.065 20 0 GCADMN C[C@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cnccn1 ZINC001575927931 950764480 /nfs/dbraw/zinc/76/44/80/950764480.db2.gz WISPWXHYSRFUQB-SWLSCSKDSA-N 0 1 379.428 0.508 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N(C)[C@H](C)CNc1ccncc1-c1nn[nH]n1 ZINC001574182821 950764895 /nfs/dbraw/zinc/76/48/95/950764895.db2.gz ZSPQIDBCDKOFNF-CYBMUJFWSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)CCn1cnnn1 ZINC001574521080 950765343 /nfs/dbraw/zinc/76/53/43/950765343.db2.gz CYRJPNDOVWVUOD-GHMZBOCLSA-N 0 1 390.477 0.378 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)CCn1cnnn1 ZINC001574521080 950765363 /nfs/dbraw/zinc/76/53/63/950765363.db2.gz CYRJPNDOVWVUOD-GHMZBOCLSA-N 0 1 390.477 0.378 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576217517 950765655 /nfs/dbraw/zinc/76/56/55/950765655.db2.gz IJCCPIDDCLVKFD-STQMWFEESA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576217517 950765666 /nfs/dbraw/zinc/76/56/66/950765666.db2.gz IJCCPIDDCLVKFD-STQMWFEESA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H](CN(C)[C@H]1CCN(C2CCC2)C1=O)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574765332 950781666 /nfs/dbraw/zinc/78/16/66/950781666.db2.gz CDEMFRHESXERQY-ABAIWWIYSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H]1CCc2[nH]nc(C(=O)NCCN(C)c3ccnc(-c4nn[nH]n4)n3)c2C1 ZINC001576218381 950786738 /nfs/dbraw/zinc/78/67/38/950786738.db2.gz RHTMXKKJJMWLRT-SNVBAGLBSA-N 0 1 382.432 0.371 20 0 GCADMN CC(C)(C)c1nc(CNC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)n[nH]1 ZINC001573884246 950790031 /nfs/dbraw/zinc/79/00/31/950790031.db2.gz BPECUMNVBLCKLN-UHFFFAOYSA-N 0 1 384.448 0.663 20 0 GCADMN CC(C)(C)c1nc[nH]c1C(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884212 950790748 /nfs/dbraw/zinc/79/07/48/950790748.db2.gz ASQUBSVLGOETPZ-AOOOYVTPSA-N 0 1 382.432 0.472 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC001576218914 950798748 /nfs/dbraw/zinc/79/87/48/950798748.db2.gz RWWKNMCATWBVQB-QWRGUYRKSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@@H]1CCn2ncc(C(=O)NCCN(C)c3ccncc3-c3nn[nH]n3)c2C1 ZINC001576218924 950798934 /nfs/dbraw/zinc/79/89/34/950798934.db2.gz RXHSHPMXDVGPFV-GFCCVEGCSA-N 0 1 381.444 0.907 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC001575010286 950812874 /nfs/dbraw/zinc/81/28/74/950812874.db2.gz CFFQCITYOHATNP-JTQLQIEISA-N 0 1 386.464 0.861 20 0 GCADMN C[C@H](CN(C)C(=O)c1nnn(C)n1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574766691 950823942 /nfs/dbraw/zinc/82/39/42/950823942.db2.gz KJCLDGYMMUPQCV-RXMQYKEDSA-N 0 1 383.829 0.073 20 0 GCADMN C[C@H](CN(C)[C@H]1CCN(C2CCC2)C1=O)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001574767159 950839333 /nfs/dbraw/zinc/83/93/33/950839333.db2.gz MOEIKYGWSGTQJV-ABAIWWIYSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H]1CCc2nc(C(=O)N(C)CCNc3ccnc(-c4nn[nH]n4)n3)cn2C1 ZINC001576220955 950840806 /nfs/dbraw/zinc/84/08/06/950840806.db2.gz YEFUFVVAJDISAW-NSHDSACASA-N 0 1 382.432 0.042 20 0 GCADMN C[C@H]1[C@H](Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCN1C(=O)c1cn[nH]n1 ZINC001575933736 950845834 /nfs/dbraw/zinc/84/58/34/950845834.db2.gz PMBXLZBGULDMLB-NTSWFWBYSA-N 0 1 380.825 0.810 20 0 GCADMN C[C@H]1[C@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1=NC(=O)N(C)C1 ZINC001575934380 950858116 /nfs/dbraw/zinc/85/81/16/950858116.db2.gz RBHKIRBDOSAHCJ-GZMMTYOYSA-N 0 1 387.379 0.555 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C(C)(F)F)CC2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576221577 950858517 /nfs/dbraw/zinc/85/85/17/950858517.db2.gz VRQHXMHKLICKLO-NXEZZACHSA-N 0 1 378.387 0.773 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576221562 950860871 /nfs/dbraw/zinc/86/08/71/950860871.db2.gz VNWABQJFADYZDN-JSGCOSHPSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575934687 950864019 /nfs/dbraw/zinc/86/40/19/950864019.db2.gz SKZLNHZSEBGMCJ-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575934687 950864033 /nfs/dbraw/zinc/86/40/33/950864033.db2.gz SKZLNHZSEBGMCJ-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@H](Nc2cncc(-c3nnn[n-]3)n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575934688 950864241 /nfs/dbraw/zinc/86/42/41/950864241.db2.gz SKZLNHZSEBGMCJ-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@H](Nc2cncc(-c3nn[n-]n3)n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575934688 950864261 /nfs/dbraw/zinc/86/42/61/950864261.db2.gz SKZLNHZSEBGMCJ-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576225927 950878672 /nfs/dbraw/zinc/87/86/72/950878672.db2.gz ACQWPXNXGVNDSU-OCCSQVGLSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576225927 950878685 /nfs/dbraw/zinc/87/86/85/950878685.db2.gz ACQWPXNXGVNDSU-OCCSQVGLSA-N 0 1 385.476 0.505 20 0 GCADMN CC1(C)C[C@@H](NC(=O)CC(N)=O)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575639895 950879903 /nfs/dbraw/zinc/87/99/03/950879903.db2.gz CPSDECFPEHLUDK-NSHDSACASA-N 0 1 391.501 0.910 20 0 GCADMN CC1(C)C[C@@H](NC(=O)CC(N)=O)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001575639895 950879915 /nfs/dbraw/zinc/87/99/15/950879915.db2.gz CPSDECFPEHLUDK-NSHDSACASA-N 0 1 391.501 0.910 20 0 GCADMN CC1(C)C[C@@H](NC(=O)CC(N)=O)CC[N@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575639895 950879933 /nfs/dbraw/zinc/87/99/33/950879933.db2.gz CPSDECFPEHLUDK-NSHDSACASA-N 0 1 391.501 0.910 20 0 GCADMN CC1(C)C[C@@H](NC(=O)CC(N)=O)CC[N@@H+](Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001575639895 950879952 /nfs/dbraw/zinc/87/99/52/950879952.db2.gz CPSDECFPEHLUDK-NSHDSACASA-N 0 1 391.501 0.910 20 0 GCADMN C[C@H](CN(C)C(=O)c1coc(CC2CC2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574768059 950879935 /nfs/dbraw/zinc/87/99/35/950879935.db2.gz XGXVUQSUFXKLDW-SNVBAGLBSA-N 0 1 383.416 0.592 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574527571 950895662 /nfs/dbraw/zinc/89/56/62/950895662.db2.gz DMHRYVMYRBZBNX-ZJUUUORDSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1cnn(C)n1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574527571 950895672 /nfs/dbraw/zinc/89/56/72/950895672.db2.gz DMHRYVMYRBZBNX-ZJUUUORDSA-N 0 1 375.462 0.743 20 0 GCADMN CC1(C)C[C@H](NC(=O)c2cnn[nH]2)CCN(c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001575640729 950899989 /nfs/dbraw/zinc/89/99/89/950899989.db2.gz KDMSRAIJNMXDOZ-GFCCVEGCSA-N 0 1 382.432 0.805 20 0 GCADMN CC(C)(C)n1ncnc1CN[C@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573893737 950901217 /nfs/dbraw/zinc/90/12/17/950901217.db2.gz UCDODPXREWQUEV-TXEJJXNPSA-N 0 1 384.448 0.592 20 0 GCADMN CC1(C)C[C@@H](NC(=O)c2cnon2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575640834 950904754 /nfs/dbraw/zinc/90/47/54/950904754.db2.gz LGMQOVZAZYGMDR-JTQLQIEISA-N 0 1 384.404 0.465 20 0 GCADMN C[C@@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575936180 950906040 /nfs/dbraw/zinc/90/60/40/950906040.db2.gz CPEDYWLPZUUSNS-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575936180 950906058 /nfs/dbraw/zinc/90/60/58/950906058.db2.gz CPEDYWLPZUUSNS-ZIAGYGMSSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575936629 950923703 /nfs/dbraw/zinc/92/37/03/950923703.db2.gz GWAKSUOULDPGQY-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@@H]1[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001575936629 950923714 /nfs/dbraw/zinc/92/37/14/950923714.db2.gz GWAKSUOULDPGQY-KGLIPLIRSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C)n1cc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)cn1 ZINC001573894481 950929236 /nfs/dbraw/zinc/92/92/36/950929236.db2.gz SMVMCELKJWUYRC-UHFFFAOYSA-N 0 1 382.432 0.571 20 0 GCADMN CC(C)(C)n1cc(C(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001573894679 950932592 /nfs/dbraw/zinc/93/25/92/950932592.db2.gz XPMIEEXENGHYNY-GFCCVEGCSA-N 0 1 382.432 0.617 20 0 GCADMN CC(C)(CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(F)F ZINC001573896630 950947527 /nfs/dbraw/zinc/94/75/27/950947527.db2.gz IXBRZCAMOOWOSZ-VIFPVBQESA-N 0 1 384.391 0.039 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1nccnc1N)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574529555 950951029 /nfs/dbraw/zinc/95/10/29/950951029.db2.gz RBZAQGBQEKYIQZ-ZJUUUORDSA-N 0 1 387.473 0.987 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1nccnc1N)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574529555 950951049 /nfs/dbraw/zinc/95/10/49/950951049.db2.gz RBZAQGBQEKYIQZ-ZJUUUORDSA-N 0 1 387.473 0.987 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576229029 950960445 /nfs/dbraw/zinc/96/04/45/950960445.db2.gz IMFNLLNQPGZTMD-OLZOCXBDSA-N 0 1 385.476 0.212 20 0 GCADMN C[C@H]1C[C@H](C(=O)N(C)C2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)CCO1 ZINC001575938016 950964382 /nfs/dbraw/zinc/96/43/82/950964382.db2.gz IIFDIMCPVYMSKI-QWHCGFSZSA-N 0 1 386.460 0.899 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-n2ccnc2)cc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575016852 950965246 /nfs/dbraw/zinc/96/52/46/950965246.db2.gz AYKBSBPUGQSKNW-LBPRGKRZSA-N 0 1 390.411 0.495 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574530196 950969694 /nfs/dbraw/zinc/96/96/94/950969694.db2.gz TWSCWFZAZHOKOS-ZJUUUORDSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1cnnn1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574530196 950969710 /nfs/dbraw/zinc/96/97/10/950969710.db2.gz TWSCWFZAZHOKOS-ZJUUUORDSA-N 0 1 375.462 0.743 20 0 GCADMN CC(C)(CC(=O)NC[C@]1(O)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001573898157 950974643 /nfs/dbraw/zinc/97/46/43/950974643.db2.gz YJMWJKIOWGQBHB-GOSISDBHSA-N 0 1 386.460 0.540 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1nccnc1-c1nnn[n-]1 ZINC001576229818 950978431 /nfs/dbraw/zinc/97/84/31/950978431.db2.gz OFZGBPLMQSMMEO-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1nccnc1-c1nn[n-]n1 ZINC001576229818 950978445 /nfs/dbraw/zinc/97/84/45/950978445.db2.gz OFZGBPLMQSMMEO-TZMCWYRMSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)(CC(=O)NC[C@H]1COCCN1c1ccnc(-c2nn[nH]n2)n1)C1CC1 ZINC001573899681 950982054 /nfs/dbraw/zinc/98/20/54/950982054.db2.gz IPSGBVKEYFFLJZ-ZDUSSCGKSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H]1C[C@@H](C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001575939105 951004131 /nfs/dbraw/zinc/00/41/31/951004131.db2.gz PAEILLRMZMTILC-OLZOCXBDSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)CNC(=O)C1CC1 ZINC001574774622 951006772 /nfs/dbraw/zinc/00/67/72/951006772.db2.gz FAMRTZWGJKDDEH-NSHDSACASA-N 0 1 389.435 0.469 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574774569 951009130 /nfs/dbraw/zinc/00/91/30/951009130.db2.gz DANSOJZZKOLUJJ-QMTHXVAHSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N[C@@H](C)C(=O)Nc1nccs1 ZINC001575018914 951028943 /nfs/dbraw/zinc/02/89/43/951028943.db2.gz RPCXTGDYZAGHJI-IUCAKERBSA-N 0 1 389.445 0.386 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575019799 951044661 /nfs/dbraw/zinc/04/46/61/951044661.db2.gz VRZAFBDVPRVXTR-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575019799 951044672 /nfs/dbraw/zinc/04/46/72/951044672.db2.gz VRZAFBDVPRVXTR-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccc(-c2nnn[n-]2)nn1 ZINC001575021053 951059927 /nfs/dbraw/zinc/05/99/27/951059927.db2.gz AMKDEHAVOSCOTH-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575021053 951059941 /nfs/dbraw/zinc/05/99/41/951059941.db2.gz AMKDEHAVOSCOTH-LBPRGKRZSA-N 0 1 381.444 0.949 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)s1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575023229 951076634 /nfs/dbraw/zinc/07/66/34/951076634.db2.gz KSVUFMQRPCAOTK-QMMMGPOBSA-N 0 1 387.429 0.072 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C2CC2)cn1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575023281 951076878 /nfs/dbraw/zinc/07/68/78/951076878.db2.gz MBNUEVBXCCESBG-NSHDSACASA-N 0 1 379.428 0.829 20 0 GCADMN C[C@@H](CNC(=O)c1ccc2c(c1)COC2)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024713 951113484 /nfs/dbraw/zinc/11/34/84/951113484.db2.gz LCKHECUDPWNFOJ-LLVKDONJSA-N 0 1 380.412 0.587 20 0 GCADMN C[C@H](CNC(=O)c1ccc(N(C)C)nc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575024780 951115712 /nfs/dbraw/zinc/11/57/12/951115712.db2.gz MOQYREYIKWRCFQ-NSHDSACASA-N 0 1 382.432 0.018 20 0 GCADMN C[C@H](CNC(=O)c1ccc(N(C)C)nc1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575025319 951128654 /nfs/dbraw/zinc/12/86/54/951128654.db2.gz XZYCNZKZOYLBTH-GFCCVEGCSA-N 0 1 381.444 0.977 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2c1CCOC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575028652 951177582 /nfs/dbraw/zinc/17/75/82/951177582.db2.gz PGVRMAHIMHZMDI-NSHDSACASA-N 0 1 380.412 0.382 20 0 GCADMN C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575031954 951209832 /nfs/dbraw/zinc/20/98/32/951209832.db2.gz MVRRGFUIWLIILS-NSHDSACASA-N 0 1 382.432 0.018 20 0 GCADMN C[C@H](CNC(=O)c1cccnc1N(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001575032048 951213939 /nfs/dbraw/zinc/21/39/39/951213939.db2.gz OZGJULJLTJFQQJ-LBPRGKRZSA-N 0 1 381.444 0.623 20 0 GCADMN C[C@H](CNC(=O)c1ccnn1C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575033964 951234775 /nfs/dbraw/zinc/23/47/75/951234775.db2.gz FPBJDFBEWQUOPX-SSDOTTSWSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575035523 951277247 /nfs/dbraw/zinc/27/72/47/951277247.db2.gz JVZLUIFDBZFNBT-NSHDSACASA-N 0 1 385.403 0.613 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575041762 951350242 /nfs/dbraw/zinc/35/02/42/951350242.db2.gz BNKGGBJLYBNERA-MRVPVSSYSA-N 0 1 392.374 0.228 20 0 GCADMN C[C@H](CNC(=O)C1=NC(=O)N(C)C1)CNc1ncc(-c2nn[nH]n2)cc1Cl ZINC001575043578 951399020 /nfs/dbraw/zinc/39/90/20/951399020.db2.gz UYEUFSXVHSLOGY-QMMMGPOBSA-N 0 1 391.823 0.832 20 0 GCADMN C[C@@H](CNC(=O)c1cnn(C)n1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575053107 951474819 /nfs/dbraw/zinc/47/48/19/951474819.db2.gz QPMJZGYCWLKHET-LURJTMIESA-N 0 1 382.841 0.583 20 0 GCADMN C[C@H](CNC(=O)c1coc(-c2cccnc2)n1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575053390 951479087 /nfs/dbraw/zinc/47/90/87/951479087.db2.gz BWZFBUYIDZUIJP-SNVBAGLBSA-N 0 1 392.383 0.359 20 0 GCADMN C[C@H](CNC(=O)c1cnn(C)c1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575054188 951489338 /nfs/dbraw/zinc/48/93/38/951489338.db2.gz XETANCSALAMIIX-NSHDSACASA-N 0 1 381.444 0.773 20 0 GCADMN C[C@@H](CNC(=O)c1cnnn1C)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575054689 951495818 /nfs/dbraw/zinc/49/58/18/951495818.db2.gz JYSHYJCHCQMOGY-LURJTMIESA-N 0 1 382.841 0.583 20 0 GCADMN C[C@@H](CNC(=O)c1coc(C2CCC2)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575056986 951525962 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GCADMN C[C@H](CNCc1cc2n(n1)CCCC2)N(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575080050 951703213 /nfs/dbraw/zinc/70/32/13/951703213.db2.gz JVIHQUQBYWOKMT-GFCCVEGCSA-N 0 1 383.460 0.978 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001595083244 951708324 /nfs/dbraw/zinc/70/83/24/951708324.db2.gz JXLQPWUBYPXKST-OXJNMPFZSA-N 0 1 389.452 0.063 20 0 GCADMN C[C@@H](CNCc1cc2n(n1)CCCC2)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575082941 951737713 /nfs/dbraw/zinc/73/77/13/951737713.db2.gz ZSQIXKNNYIVRAW-LBPRGKRZSA-N 0 1 383.460 0.978 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@H]1CCC(=O)N1C ZINC001575089823 951754690 /nfs/dbraw/zinc/75/46/90/951754690.db2.gz HPNXVNRWHCSDOL-IAQYHMDHSA-N 0 1 389.435 0.563 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575090107 951756333 /nfs/dbraw/zinc/75/63/33/951756333.db2.gz JNXXGXPZZYFYFD-SNVBAGLBSA-N 0 1 386.391 0.752 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1ccc(=O)[nH]n1 ZINC001575090104 951757696 /nfs/dbraw/zinc/75/76/96/951757696.db2.gz JNXXGXPZZYFYFD-JTQLQIEISA-N 0 1 386.391 0.752 20 0 GCADMN O=C([O-])CN1CCCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1=O ZINC001595089897 951762854 /nfs/dbraw/zinc/76/28/54/951762854.db2.gz COSQHZBSUFBJPZ-HZPDHXFCSA-N 0 1 380.489 0.873 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575091119 951769604 /nfs/dbraw/zinc/76/96/04/951769604.db2.gz PISRRGUDVZRHOC-SJKOYZFVSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@H]1CCC(=O)N1)C1CC1 ZINC001575091119 951769609 /nfs/dbraw/zinc/76/96/09/951769609.db2.gz PISRRGUDVZRHOC-SJKOYZFVSA-N 0 1 389.485 0.581 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)[C@@H]1CCNC(=O)C1 ZINC001575091243 951772055 /nfs/dbraw/zinc/77/20/55/951772055.db2.gz QHIQPDQZMCWTFT-DGCLKSJQSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1c[nH]c(=O)n1C ZINC001575091723 951782764 /nfs/dbraw/zinc/78/27/64/951782764.db2.gz WVLHYIMBHZNOMI-JTQLQIEISA-N 0 1 388.407 0.695 20 0 GCADMN C[C@@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)CCCC(N)=O ZINC001575091956 951786789 /nfs/dbraw/zinc/78/67/89/951786789.db2.gz ZRNAUFFEVNKWER-NSHDSACASA-N 0 1 377.424 0.598 20 0 GCADMN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098080 951819104 /nfs/dbraw/zinc/81/91/04/951819104.db2.gz AHDAIOPQELIBED-GHMZBOCLSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098080 951819114 /nfs/dbraw/zinc/81/91/14/951819114.db2.gz AHDAIOPQELIBED-GHMZBOCLSA-N 0 1 377.474 0.296 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575098185 951822535 /nfs/dbraw/zinc/82/25/35/951822535.db2.gz BWONBJPCOTUZAL-NEPJUHHUSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@@H]1CCN(C)C1=O ZINC001575098185 951822541 /nfs/dbraw/zinc/82/25/41/951822541.db2.gz BWONBJPCOTUZAL-NEPJUHHUSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575098436 951823150 /nfs/dbraw/zinc/82/31/50/951823150.db2.gz DAQUHCQWEQWDEC-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@]1(C)CCNC(=O)C1 ZINC001575098436 951823158 /nfs/dbraw/zinc/82/31/58/951823158.db2.gz DAQUHCQWEQWDEC-APPDUMDISA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575098413 951823377 /nfs/dbraw/zinc/82/33/77/951823377.db2.gz CMQOIFUPBPDUQL-WCQYABFASA-N 0 1 391.501 0.876 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCCC(=O)N1C ZINC001575098413 951823382 /nfs/dbraw/zinc/82/33/82/951823382.db2.gz CMQOIFUPBPDUQL-WCQYABFASA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575098426 951823711 /nfs/dbraw/zinc/82/37/11/951823711.db2.gz CYICMONQRSIAKR-GHMZBOCLSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575098426 951823721 /nfs/dbraw/zinc/82/37/21/951823721.db2.gz CYICMONQRSIAKR-GHMZBOCLSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575099063 951828929 /nfs/dbraw/zinc/82/89/29/951828929.db2.gz IAJDRDBNFAGBHR-QWRGUYRKSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCNC(=O)C1 ZINC001575099063 951828934 /nfs/dbraw/zinc/82/89/34/951828934.db2.gz IAJDRDBNFAGBHR-QWRGUYRKSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575099305 951831268 /nfs/dbraw/zinc/83/12/68/951831268.db2.gz JRWJPXFRYGCJJM-WDEREUQCSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCC(=O)NC1 ZINC001575099305 951831279 /nfs/dbraw/zinc/83/12/79/951831279.db2.gz JRWJPXFRYGCJJM-WDEREUQCSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099397 951834392 /nfs/dbraw/zinc/83/43/92/951834392.db2.gz LHORAQDFIRUPRL-ZJUUUORDSA-N 0 1 380.478 0.217 20 0 GCADMN C[C@@H](CNC(=O)C[C@H](C)NC(N)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099397 951834402 /nfs/dbraw/zinc/83/44/02/951834402.db2.gz LHORAQDFIRUPRL-ZJUUUORDSA-N 0 1 380.478 0.217 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575099440 951835854 /nfs/dbraw/zinc/83/58/54/951835854.db2.gz MFOMEBMEZHWYRJ-GHMZBOCLSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001575099440 951835865 /nfs/dbraw/zinc/83/58/65/951835865.db2.gz MFOMEBMEZHWYRJ-GHMZBOCLSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099409 951836143 /nfs/dbraw/zinc/83/61/43/951836143.db2.gz LKYYDWURQNNZGJ-SNVBAGLBSA-N 0 1 388.457 0.178 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099409 951836151 /nfs/dbraw/zinc/83/61/51/951836151.db2.gz LKYYDWURQNNZGJ-SNVBAGLBSA-N 0 1 388.457 0.178 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575100063 951841328 /nfs/dbraw/zinc/84/13/28/951841328.db2.gz QNLVFNZJMWUNFM-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575100063 951841334 /nfs/dbraw/zinc/84/13/34/951841334.db2.gz QNLVFNZJMWUNFM-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100229 951844829 /nfs/dbraw/zinc/84/48/29/951844829.db2.gz SECNWCLQFSGKKX-MNOVXSKESA-N 0 1 375.462 0.623 20 0 GCADMN C[C@@H](CNC(=O)[C@H](C)n1cncn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100229 951844836 /nfs/dbraw/zinc/84/48/36/951844836.db2.gz SECNWCLQFSGKKX-MNOVXSKESA-N 0 1 375.462 0.623 20 0 GCADMN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100190 951844856 /nfs/dbraw/zinc/84/48/56/951844856.db2.gz RVQTYSVMVODSTI-WDEREUQCSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](CNC(=O)C[C@H]1CCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100190 951844868 /nfs/dbraw/zinc/84/48/68/951844868.db2.gz RVQTYSVMVODSTI-WDEREUQCSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100573 951847554 /nfs/dbraw/zinc/84/75/54/951847554.db2.gz UJACISZROLXJMW-CMPLNLGQSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCCC(=O)N1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100573 951847563 /nfs/dbraw/zinc/84/75/63/951847563.db2.gz UJACISZROLXJMW-CMPLNLGQSA-N 0 1 377.474 0.439 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575101009 951851408 /nfs/dbraw/zinc/85/14/08/951851408.db2.gz XNPDVCYTUQFMOZ-NEPJUHHUSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 ZINC001575101009 951851415 /nfs/dbraw/zinc/85/14/15/951851415.db2.gz XNPDVCYTUQFMOZ-NEPJUHHUSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101047 951852265 /nfs/dbraw/zinc/85/22/65/951852265.db2.gz YEPYEKPKCWCORS-GFCCVEGCSA-N 0 1 379.490 0.102 20 0 GCADMN C[C@@H](CNC(=O)CN1CCOCC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101047 951852270 /nfs/dbraw/zinc/85/22/70/951852270.db2.gz YEPYEKPKCWCORS-GFCCVEGCSA-N 0 1 379.490 0.102 20 0 GCADMN C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101120 951854618 /nfs/dbraw/zinc/85/46/18/951854618.db2.gz ZROLGCWWFYRNKV-VXGBXAGGSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)C[C@H]1CCC(=O)NC1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101120 951854625 /nfs/dbraw/zinc/85/46/25/951854625.db2.gz ZROLGCWWFYRNKV-VXGBXAGGSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575102447 951869421 /nfs/dbraw/zinc/86/94/21/951869421.db2.gz NQCGXIARTQUQRP-JTQLQIEISA-N 0 1 388.457 0.767 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575102447 951869428 /nfs/dbraw/zinc/86/94/28/951869428.db2.gz NQCGXIARTQUQRP-JTQLQIEISA-N 0 1 388.457 0.767 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)Cn1ccccc1=O ZINC001575104049 951880064 /nfs/dbraw/zinc/88/00/64/951880064.db2.gz XCQWUCPZSJKESV-LBPRGKRZSA-N 0 1 387.469 0.727 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)Cn1ccccc1=O ZINC001575104049 951880073 /nfs/dbraw/zinc/88/00/73/951880073.db2.gz XCQWUCPZSJKESV-LBPRGKRZSA-N 0 1 387.469 0.727 20 0 GCADMN CC(C)(C)OC(=O)N1CCN([C@@H]2CC[N@H+]([C@H]3CCN(CC(=O)[O-])C3=O)C2)CC1 ZINC001602888849 971789518 /nfs/dbraw/zinc/78/95/18/971789518.db2.gz MQIDSNJFAINPTF-CABCVRRESA-N 0 1 396.488 0.299 20 0 GCADMN C[C@@H](CNCc1nc(C2CC2)nn1C)CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575119244 951987230 /nfs/dbraw/zinc/98/72/30/951987230.db2.gz VTPLQYCHVUANHB-JTQLQIEISA-N 0 1 384.448 0.356 20 0 GCADMN O=C([O-])CS(=O)(=O)CC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC001595123907 951992739 /nfs/dbraw/zinc/99/27/39/951992739.db2.gz TVIPVHVUCVWYFV-UHFFFAOYSA-N 0 1 388.511 0.618 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@@H]1CCCOC1)C1CC1 ZINC001575135559 952119396 /nfs/dbraw/zinc/11/93/96/952119396.db2.gz LKHSQBFXIRHJLW-KPZWWZAWSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CCc1cn[nH]c1)C1CC1 ZINC001575140718 952144050 /nfs/dbraw/zinc/14/40/50/952144050.db2.gz FQAJZTMCLUTSEV-QGZVFWFLSA-N 0 1 382.432 0.131 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575142786 952148125 /nfs/dbraw/zinc/14/81/25/952148125.db2.gz LSPPLNCZQWSYSR-NSHDSACASA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cn1cc(C2CC2)cn1 ZINC001575142785 952148620 /nfs/dbraw/zinc/14/86/20/952148620.db2.gz LSPPLNCZQWSYSR-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@H]1Cc2cccnc2C1 ZINC001575142810 952149665 /nfs/dbraw/zinc/14/96/65/952149665.db2.gz MCKJLRNVYFMWEN-YPMHNXCESA-N 0 1 379.428 0.147 20 0 GCADMN C[C@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575143137 952150010 /nfs/dbraw/zinc/15/00/10/952150010.db2.gz NWEXQAUNLQJQPR-SCLBCKFNSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575144498 952167281 /nfs/dbraw/zinc/16/72/81/952167281.db2.gz IZYWFCNXZCQCJS-QMMMGPOBSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1c(Cl)cnn1C ZINC001575144494 952167320 /nfs/dbraw/zinc/16/73/20/952167320.db2.gz IZYWFCNXZCQCJS-MRVPVSSYSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C(C)(C)C)c1 ZINC001575144484 952167626 /nfs/dbraw/zinc/16/76/26/952167626.db2.gz IYAVIQFBZYLOSJ-LLVKDONJSA-N 0 1 384.448 0.603 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCc2nn[nH]c21 ZINC001575144608 952168095 /nfs/dbraw/zinc/16/80/95/952168095.db2.gz JKVNZFNVOKUOSQ-QWRGUYRKSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)COc1ccccc1F ZINC001575144639 952169552 /nfs/dbraw/zinc/16/95/52/952169552.db2.gz WTZKVTNGADDUNU-NSHDSACASA-N 0 1 386.391 0.556 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccn(C(F)F)n1 ZINC001575144618 952169740 /nfs/dbraw/zinc/16/97/40/952169740.db2.gz JPHVADIAWCKDKW-MRVPVSSYSA-N 0 1 378.347 0.243 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)Cc1ccc(F)c(F)c1 ZINC001575144878 952173374 /nfs/dbraw/zinc/17/33/74/952173374.db2.gz YXGHGIFCVOWTRX-JTQLQIEISA-N 0 1 388.382 0.858 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC001575144903 952174415 /nfs/dbraw/zinc/17/44/15/952174415.db2.gz NOPIKVHCFQRQID-RYUDHWBXSA-N 0 1 381.444 0.786 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn2c(n1)CCCC2 ZINC001575145178 952179607 /nfs/dbraw/zinc/17/96/07/952179607.db2.gz RVEZIEVQUJKXGJ-NSHDSACASA-N 0 1 382.432 0.184 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccc(C2CC2)cn1 ZINC001575145202 952179936 /nfs/dbraw/zinc/17/99/36/952179936.db2.gz SIGQZERKQXOWPE-NSHDSACASA-N 0 1 379.428 0.924 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575145170 952180302 /nfs/dbraw/zinc/18/03/02/952180302.db2.gz RPWIYSNVLZSATR-QMMMGPOBSA-N 0 1 376.812 0.038 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(N(C)C)ccn1 ZINC001575145291 952181396 /nfs/dbraw/zinc/18/13/96/952181396.db2.gz VHDWPVYTLCXZGO-LLVKDONJSA-N 0 1 382.432 0.112 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575145395 952183323 /nfs/dbraw/zinc/18/33/23/952183323.db2.gz XBGKGYXTEUOTLQ-QWHCGFSZSA-N 0 1 381.444 0.402 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@H]1CCC(=O)N1)C1CC1 ZINC001575145470 952184094 /nfs/dbraw/zinc/18/40/94/952184094.db2.gz YEHSKLCOMPWCIF-XIKOKIGWSA-N 0 1 384.444 0.049 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C(F)F)n(C)n1 ZINC001575145534 952185595 /nfs/dbraw/zinc/18/55/95/952185595.db2.gz ZMEUZHZDUYSYPX-QMMMGPOBSA-N 0 1 392.374 0.322 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CCn2cncc2C1 ZINC001575145498 952185726 /nfs/dbraw/zinc/18/57/26/952185726.db2.gz YSDKLVWQBFSBTO-STQMWFEESA-N 0 1 381.444 0.402 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCn2cncc2C1 ZINC001575145495 952186374 /nfs/dbraw/zinc/18/63/74/952186374.db2.gz YSDKLVWQBFSBTO-CHWSQXEVSA-N 0 1 381.444 0.402 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c2c(nn1C)CCC2 ZINC001575145611 952187304 /nfs/dbraw/zinc/18/73/04/952187304.db2.gz BBOLEYQKIODZKJ-LLVKDONJSA-N 0 1 381.444 0.478 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CNC(=O)CC(C)(C)C ZINC001575145587 952187344 /nfs/dbraw/zinc/18/73/44/952187344.db2.gz ARRVUEMHCFEVBB-GFCCVEGCSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn2cccnc12 ZINC001575145849 952190002 /nfs/dbraw/zinc/19/00/02/952190002.db2.gz DLXIFVZSMOSPQD-NSHDSACASA-N 0 1 378.400 0.299 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cn(C2CCC2)nn1 ZINC001575146256 952192826 /nfs/dbraw/zinc/19/28/26/952192826.db2.gz JKHRTROJYXASLQ-LLVKDONJSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575146440 952193831 /nfs/dbraw/zinc/19/38/31/952193831.db2.gz LCCXLHORZVCGGN-GFCCVEGCSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)CCn1cc(Cl)cn1 ZINC001575146607 952195352 /nfs/dbraw/zinc/19/53/52/952195352.db2.gz LZYJWADWAWFUMO-NSHDSACASA-N 0 1 389.851 0.883 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC001575146803 952196450 /nfs/dbraw/zinc/19/64/50/952196450.db2.gz NXCJRGNRZWWTSL-SJCJKPOMSA-N 0 1 379.424 0.946 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnn(C)c1Cl ZINC001575146863 952198234 /nfs/dbraw/zinc/19/82/34/952198234.db2.gz PGTBQSHXWUDRFI-VIFPVBQESA-N 0 1 375.824 0.643 20 0 GCADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C[C@H]1C1CC1 ZINC001595190027 952274915 /nfs/dbraw/zinc/27/49/15/952274915.db2.gz PQJCXBPWSFPAGM-DLBZAZTESA-N 0 1 377.485 0.890 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cn(C)nn1 ZINC001575164734 952298890 /nfs/dbraw/zinc/29/88/90/952298890.db2.gz HAZRQDJOOSQHFQ-LURJTMIESA-N 0 1 382.841 0.678 20 0 GCADMN C[C@](CNc1ncc(-c2nn[nH]n2)cc1F)(NC(=O)Cc1nnc[nH]1)C1CC1 ZINC001575165081 952304480 /nfs/dbraw/zinc/30/44/80/952304480.db2.gz KLMXOSRCQSEXLD-MRXNPFEDSA-N 0 1 386.395 0.458 20 0 GCADMN C[C@H](CNc1ncc(-c2nn[nH]n2)cc1Cl)N(C)C(=O)C1=NC(=O)N(C)C1 ZINC001575165584 952309789 /nfs/dbraw/zinc/30/97/89/952309789.db2.gz PXLWOVXXVJJHPR-MRVPVSSYSA-N 0 1 391.823 0.927 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)[C@H](C)NC(N)=O ZINC001575165902 952315474 /nfs/dbraw/zinc/31/54/74/952315474.db2.gz RARZXKHXDMYQQO-WDSKDSINSA-N 0 1 387.857 0.292 20 0 GCADMN C[C@@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575174438 952370845 /nfs/dbraw/zinc/37/08/45/952370845.db2.gz OASHFVBOZLOHAJ-KRWDZBQOSA-N 0 1 383.460 0.449 20 0 GCADMN C[C@@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575174438 952370852 /nfs/dbraw/zinc/37/08/52/952370852.db2.gz OASHFVBOZLOHAJ-KRWDZBQOSA-N 0 1 383.460 0.449 20 0 GCADMN C[C@](CNc1nccnc1-c1nnn[n-]1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575174439 952373670 /nfs/dbraw/zinc/37/36/70/952373670.db2.gz OASHFVBOZLOHAJ-QGZVFWFLSA-N 0 1 383.460 0.449 20 0 GCADMN C[C@](CNc1nccnc1-c1nn[n-]n1)(NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001575174439 952373678 /nfs/dbraw/zinc/37/36/78/952373678.db2.gz OASHFVBOZLOHAJ-QGZVFWFLSA-N 0 1 383.460 0.449 20 0 GCADMN O=S(=O)(c1cccnc1-c1nn[nH]n1)N1CCC[C@H](n2ccnn2)CC1 ZINC001571116647 952476496 /nfs/dbraw/zinc/47/64/96/952476496.db2.gz BASUFNJJIMQQMW-NSHDSACASA-N 0 1 375.418 0.269 20 0 GCADMN C[C@@H](Cc1ccco1)C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@H]1O ZINC001575197204 952480934 /nfs/dbraw/zinc/48/09/34/952480934.db2.gz QBNZWDQHBZUEFD-MORSLUCNSA-N 0 1 396.451 1.000 20 0 GCADMN 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LAXRBQJLPFUXEB-IAQYHMDHSA-N 0 1 380.412 0.660 20 0 GCADMN COc1ccccc1C(=O)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571158477 952712494 /nfs/dbraw/zinc/71/24/94/952712494.db2.gz IYCMGAXXOZUIAB-GFCCVEGCSA-N 0 1 380.412 0.804 20 0 GCADMN Cc1cncc(CC(=O)NC2CC(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571158852 952714776 /nfs/dbraw/zinc/71/47/76/952714776.db2.gz SNOXXFSPNBTYGN-UHFFFAOYSA-N 0 1 379.428 0.331 20 0 GCADMN Cc1cnc(C(=O)N2CC[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@H]2C)cn1 ZINC001571158867 952715199 /nfs/dbraw/zinc/71/51/99/952715199.db2.gz SQYSAWAROZQORG-OCCSQVGLSA-N 0 1 379.428 0.806 20 0 GCADMN Cc1ccnc(C(=O)N2CCC[C@@H]2CNc2cc(C)[nH+]cc2-c2nnn[n-]2)n1 ZINC001571158940 952715672 /nfs/dbraw/zinc/71/56/72/952715672.db2.gz UYOZIUQSKSSTBD-CYBMUJFWSA-N 0 1 379.428 0.807 20 0 GCADMN Cc1cc(NC[C@@H]2CCN(C(=O)c3cccc(=O)[nH]3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158950 952716366 /nfs/dbraw/zinc/71/63/66/952716366.db2.gz NXJASDWDSKQSLT-LBPRGKRZSA-N 0 1 380.412 0.667 20 0 GCADMN COc1cnc(C(=O)NCC2CN(Cc3ccc(-c4nn[nH]n4)cc3)C2)nc1 ZINC001571159544 952719323 /nfs/dbraw/zinc/71/93/23/952719323.db2.gz XTHHUGCCVXIPIO-UHFFFAOYSA-N 0 1 380.412 0.527 20 0 GCADMN COc1cccc(CC(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571159560 952720771 /nfs/dbraw/zinc/72/07/71/952720771.db2.gz YGKXUMALTXKEMA-ZDUSSCGKSA-N 0 1 380.412 0.603 20 0 GCADMN O=C(N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1O)c1cccnn1 ZINC001571160354 952726310 /nfs/dbraw/zinc/72/63/10/952726310.db2.gz HQBSBBWLDLJZDW-HOCLYGCPSA-N 0 1 380.412 0.022 20 0 GCADMN O=C(N[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)c1cnccn1 ZINC001571160756 952728446 /nfs/dbraw/zinc/72/84/46/952728446.db2.gz LSCILUXHPLDGJX-HOCLYGCPSA-N 0 1 380.412 0.022 20 0 GCADMN Cn1c(=O)cccc1C(=O)NC[C@H]1C[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571160848 952728490 /nfs/dbraw/zinc/72/84/90/952728490.db2.gz NAXQLSFJACXVSU-HAQNSBGRSA-N 0 1 380.412 0.003 20 0 GCADMN O=C(N[C@H]1CC[C@@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccc(=O)[nH]1 ZINC001571161420 952732893 /nfs/dbraw/zinc/73/28/93/952732893.db2.gz VHIYDGXZFFNNFW-NEPJUHHUSA-N 0 1 380.412 0.795 20 0 GCADMN O=C(N[C@@H]1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)c1cccc(=O)[nH]1 ZINC001571161421 952733182 /nfs/dbraw/zinc/73/31/82/952733182.db2.gz VHIYDGXZFFNNFW-NWDGAFQWSA-N 0 1 380.412 0.795 20 0 GCADMN Cc1cc(C(=O)N2CC[C@H]([C@H](C)Nc3ccnc(-c4nn[nH]n4)n3)C2)cnn1 ZINC001571162243 952740715 /nfs/dbraw/zinc/74/07/15/952740715.db2.gz OMDHFGUOQRACBT-RYUDHWBXSA-N 0 1 380.416 0.140 20 0 GCADMN CCc1ncncc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571162256 952741041 /nfs/dbraw/zinc/74/10/41/952741041.db2.gz OVZOLPOZRHQLDY-NSHDSACASA-N 0 1 380.416 0.148 20 0 GCADMN Cc1c[nH]c(C(=O)N[C@@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)n1 ZINC001571162365 952742894 /nfs/dbraw/zinc/74/28/94/952742894.db2.gz RUYQWVKHJCVLAL-LLVKDONJSA-N 0 1 380.416 0.477 20 0 GCADMN Cc1cc(C(=O)N[C@]23CCC[C@H]2CN(c2ccnc(-c4nn[nH]n4)n2)C3)[nH]n1 ZINC001571162371 952743073 /nfs/dbraw/zinc/74/30/73/952743073.db2.gz SCXPKXMTQGLHGJ-GTNSWQLSSA-N 0 1 380.416 0.477 20 0 GCADMN Cc1c[nH]c(C(=O)N[C@H]2CC23CCN(c2ccnc(-c4nn[nH]n4)n2)CC3)n1 ZINC001571162366 952743178 /nfs/dbraw/zinc/74/31/78/952743178.db2.gz RUYQWVKHJCVLAL-NSHDSACASA-N 0 1 380.416 0.477 20 0 GCADMN Cc1ncc(C(=O)N[C@@H]2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C23CCC3)[nH]1 ZINC001571165005 952746093 /nfs/dbraw/zinc/74/60/93/952746093.db2.gz AQNKPBJOZDBVAH-VXGBXAGGSA-N 0 1 380.416 0.263 20 0 GCADMN COC(=O)CC1(CNS(=O)(=O)c2cccnc2-c2nn[nH]n2)CCCC1 ZINC001571165564 952752111 /nfs/dbraw/zinc/75/21/11/952752111.db2.gz FFYSPUKFDBTODZ-UHFFFAOYSA-N 0 1 380.430 0.664 20 0 GCADMN COC(=O)C[C@@H](NS(=O)(=O)c1cccnc1-c1nn[nH]n1)C1CCCC1 ZINC001571165594 952753148 /nfs/dbraw/zinc/75/31/48/952753148.db2.gz GIEGKJVJYLZWFF-LLVKDONJSA-N 0 1 380.430 0.662 20 0 GCADMN Cc1nccc(C(=O)N[C@@H]2CCCC[C@H]2Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001571166164 952758009 /nfs/dbraw/zinc/75/80/09/952758009.db2.gz PEQCJICASPVSBN-VXGBXAGGSA-N 0 1 380.416 0.330 20 0 GCADMN Cc1ncncc1C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571166100 952758222 /nfs/dbraw/zinc/75/82/22/952758222.db2.gz NODXTRJWIOIOJT-AAEUAGOBSA-N 0 1 380.416 0.188 20 0 GCADMN Cc1cnc(C(=O)NC[C@H]2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571166660 952764366 /nfs/dbraw/zinc/76/43/66/952764366.db2.gz USTWLMGJCYSGLP-NWDGAFQWSA-N 0 1 380.416 0.188 20 0 GCADMN Cc1cncc(CCNS(=O)(=O)c2c(F)cc(-c3nn[nH]n3)cc2F)n1 ZINC001571170184 952784007 /nfs/dbraw/zinc/78/40/07/952784007.db2.gz FQMSTWJYGIAZHC-UHFFFAOYSA-N 0 1 381.368 0.764 20 0 GCADMN CCc1ocnc1C(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571171814 952798500 /nfs/dbraw/zinc/79/85/00/952798500.db2.gz XGDUWIKFFLEDQL-PHIMTYICSA-N 0 1 381.400 0.701 20 0 GCADMN COc1ncccc1C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571174569 952810511 /nfs/dbraw/zinc/81/05/11/952810511.db2.gz AOFCQMAGWOMPGY-PHIMTYICSA-N 0 1 381.400 0.103 20 0 GCADMN Cc1cc(N[C@@H]2CN(C(=O)c3ccc(=O)[nH]n3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174583 952810976 /nfs/dbraw/zinc/81/09/76/952810976.db2.gz BBHOOBSKRWQZHT-LKFCYVNXSA-N 0 1 381.400 0.060 20 0 GCADMN Cc1cc(N2CC[C@H](N(C)C(=O)c3cn[nH]c(=O)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571175311 952819412 /nfs/dbraw/zinc/81/94/12/952819412.db2.gz SAVCCCLYVWIQIR-LBPRGKRZSA-N 0 1 381.400 0.417 20 0 GCADMN O=C(NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1cc[nH]c(=O)c1 ZINC001571175332 952820110 /nfs/dbraw/zinc/82/01/10/952820110.db2.gz AWESHVBNLRSXHR-UHFFFAOYSA-N 0 1 381.400 0.332 20 0 GCADMN O=C(N[C@H]1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1)c1ccc(=O)[nH]n1 ZINC001571175370 952820500 /nfs/dbraw/zinc/82/05/00/952820500.db2.gz BNDCZJKESJMCCG-JQWIXIFHSA-N 0 1 381.400 0.190 20 0 GCADMN COc1cccnc1C(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571175601 952824052 /nfs/dbraw/zinc/82/40/52/952824052.db2.gz WTPWNYGQCHKFAF-UHFFFAOYSA-N 0 1 381.400 0.459 20 0 GCADMN Cc1conc1C(=O)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571176583 952832809 /nfs/dbraw/zinc/83/28/09/952832809.db2.gz VGYXUMRPGOUIIU-RYUDHWBXSA-N 0 1 381.400 0.837 20 0 GCADMN O=C(c1ccon1)N1C[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H]2C1 ZINC001571178290 952838602 /nfs/dbraw/zinc/83/86/02/952838602.db2.gz FIELRGRWPMBQON-TUAOUCFPSA-N 0 1 381.400 0.419 20 0 GCADMN O=C(c1ccon1)N1C[C@@H]2CCC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H]2C1 ZINC001571178289 952838808 /nfs/dbraw/zinc/83/88/08/952838808.db2.gz FIELRGRWPMBQON-SRVKXCTJSA-N 0 1 381.400 0.419 20 0 GCADMN O=C(c1ncoc1C1CC1)N1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571178520 952841875 /nfs/dbraw/zinc/84/18/75/952841875.db2.gz LQVAFSMZQXAZOY-NSHDSACASA-N 0 1 381.400 0.661 20 0 GCADMN O=C(C1=CCOCC1)N1C[C@H]2CCN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571179245 952852449 /nfs/dbraw/zinc/85/24/49/952852449.db2.gz AMLCWFCWIGPWLV-CABCVRRESA-N 0 1 381.440 0.893 20 0 GCADMN O=C([C@H]1CCC(=O)N1)N1C[C@@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@@H]2C1 ZINC001571180150 952857240 /nfs/dbraw/zinc/85/72/40/952857240.db2.gz MFDWWBGUVXKPIJ-IJEWVQPXSA-N 0 1 381.440 0.036 20 0 GCADMN C[C@H](C(=O)N1C[C@@H](C)[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001571181427 952864266 /nfs/dbraw/zinc/86/42/66/952864266.db2.gz WUIVWPYCOCOQSJ-BFQNTYOBSA-N 0 1 381.444 0.480 20 0 GCADMN C[C@@H]1CC[C@H](NC(=O)c2cnnn2C)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571183568 952880041 /nfs/dbraw/zinc/88/00/41/952880041.db2.gz DVHPBBBBCIOKQX-DOMZBBRYSA-N 0 1 381.444 0.778 20 0 GCADMN CCc1c(C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cnn1C ZINC001571183643 952880664 /nfs/dbraw/zinc/88/06/64/952880664.db2.gz GTNQXURDKHEFKN-GFCCVEGCSA-N 0 1 381.444 0.615 20 0 GCADMN CCc1c(C(=O)NC[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571183612 952881300 /nfs/dbraw/zinc/88/13/00/952881300.db2.gz FNVHPASKQUXRHP-LBPRGKRZSA-N 0 1 381.444 0.814 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571183954 952885895 /nfs/dbraw/zinc/88/58/95/952885895.db2.gz NHDSSXQVSFCHCG-LBPRGKRZSA-N 0 1 381.444 0.852 20 0 GCADMN CC[C@H]1CN(C(=O)c2cn(C)cn2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571184043 952886647 /nfs/dbraw/zinc/88/66/47/952886647.db2.gz PCKATGQSGQOBOI-JSGCOSHPSA-N 0 1 381.444 0.770 20 0 GCADMN CC[C@@H]1CN(C(=O)c2cn(C)cn2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571184044 952887298 /nfs/dbraw/zinc/88/72/98/952887298.db2.gz PCKATGQSGQOBOI-OCCSQVGLSA-N 0 1 381.444 0.770 20 0 GCADMN CCn1ccc(C(=O)N2CCC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)n1 ZINC001571184601 952894754 /nfs/dbraw/zinc/89/47/54/952894754.db2.gz AUFDSWTUXPFNKQ-CYBMUJFWSA-N 0 1 381.444 0.925 20 0 GCADMN Cc1c(C(=O)N[C@@H]2CCCN(Cc3cccc(-c4nn[nH]n4)c3)C2)nnn1C ZINC001571184621 952894935 /nfs/dbraw/zinc/89/49/35/952894935.db2.gz BOVMZXVRWMTXOG-OAHLLOKOSA-N 0 1 381.444 0.698 20 0 GCADMN CCn1ccc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1C ZINC001571184813 952897009 /nfs/dbraw/zinc/89/70/09/952897009.db2.gz DHNBOWZIICFJSF-YPMHNXCESA-N 0 1 381.444 0.924 20 0 GCADMN CCn1nncc1C(=O)N(C)[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571185325 952901193 /nfs/dbraw/zinc/90/11/93/952901193.db2.gz KTNQVGOUSBIKGZ-OAHLLOKOSA-N 0 1 381.444 0.825 20 0 GCADMN CCn1ncc(C(=O)N[C@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571186572 952907851 /nfs/dbraw/zinc/90/78/51/952907851.db2.gz XJFOCYKEXMMQRC-AWEZNQCLSA-N 0 1 381.444 0.873 20 0 GCADMN Cc1cc(N[C@@H](C)[C@@H]2CCN(C(=O)c3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187661 952909180 /nfs/dbraw/zinc/90/91/80/952909180.db2.gz AIAVXMYHTMSSLB-QWHCGFSZSA-N 0 1 381.444 0.688 20 0 GCADMN Cc1cc(N[C@H](C)[C@H]2CCN(C(=O)c3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187659 952909388 /nfs/dbraw/zinc/90/93/88/952909388.db2.gz AIAVXMYHTMSSLB-OLZOCXBDSA-N 0 1 381.444 0.688 20 0 GCADMN Cc1cc(NC[C@@H]2CCC[C@H]2NC(=O)Cn2cccn2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187908 952910417 /nfs/dbraw/zinc/91/04/17/952910417.db2.gz CRHYWRKXTAUJPZ-DZGCQCFKSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1nn(C)cc1CC(=O)N[C@H]1CCN(c2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571187886 952910628 /nfs/dbraw/zinc/91/06/28/952910628.db2.gz CNAWKJRLEJOIOJ-AWEZNQCLSA-N 0 1 381.444 0.550 20 0 GCADMN Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571187977 952910950 /nfs/dbraw/zinc/91/09/50/952910950.db2.gz DZRHKFAFSJEHHL-CYBMUJFWSA-N 0 1 381.444 0.669 20 0 GCADMN Cc1cc(NC[C@H]2CCC[C@@H]2NC(=O)c2cncn2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571188365 952913571 /nfs/dbraw/zinc/91/35/71/952913571.db2.gz JIUYNANUTLABDA-OCCSQVGLSA-N 0 1 381.444 0.736 20 0 GCADMN Cn1cc(CCC(=O)N2CCC[C@H]2CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001571188537 952915996 /nfs/dbraw/zinc/91/59/96/952915996.db2.gz DCQMACQNVVJCHO-AWEZNQCLSA-N 0 1 381.444 0.453 20 0 GCADMN Cc1nn(C)c(C)c1C(=O)N1CC[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571188600 952917265 /nfs/dbraw/zinc/91/72/65/952917265.db2.gz LNFGCMIMDCQTJL-ZDUSSCGKSA-N 0 1 381.444 0.669 20 0 GCADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@H](NCc2cc3n(n2)CCCC3)C1 ZINC001571188696 952918738 /nfs/dbraw/zinc/91/87/38/952918738.db2.gz GJBQQWYDBKLAJR-LBPRGKRZSA-N 0 1 381.444 0.732 20 0 GCADMN Cc1cc(NC2CCC(NC(=O)c3cn(C)cn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189103 952924140 /nfs/dbraw/zinc/92/41/40/952924140.db2.gz SBFDIVPNNTZYPT-UHFFFAOYSA-N 0 1 381.444 0.879 20 0 GCADMN Cn1cc(CN2CC[C@]3(NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)CCC[C@@H]23)cn1 ZINC001571189163 952925030 /nfs/dbraw/zinc/92/50/30/952925030.db2.gz NQEIDASMGUNKAW-CRAIPNDOSA-N 0 1 381.444 0.855 20 0 GCADMN Cn1cc(CN2CC[C@]3(NC(=O)c4ccc(-c5nn[nH]n5)[nH]4)CCC[C@H]23)cn1 ZINC001571189164 952925227 /nfs/dbraw/zinc/92/52/27/952925227.db2.gz NQEIDASMGUNKAW-MAUKXSAKSA-N 0 1 381.444 0.855 20 0 GCADMN Cn1nccc1CN1CC[C@]2(NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CCC[C@H]12 ZINC001571189149 952925633 /nfs/dbraw/zinc/92/56/33/952925633.db2.gz NFANYRLPRBJOLI-MAUKXSAKSA-N 0 1 381.444 0.855 20 0 GCADMN Cc1ccn(C)c1C(=O)N1C[C@H](C)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571189307 952927754 /nfs/dbraw/zinc/92/77/54/952927754.db2.gz URZDVWZEOAIPBM-QWHCGFSZSA-N 0 1 381.444 0.546 20 0 GCADMN Cc1c(C(=O)N2C[C@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cnn1C ZINC001571189488 952928968 /nfs/dbraw/zinc/92/89/68/952928968.db2.gz VWYZQIYEPRJVMH-MGPLVRAMSA-N 0 1 381.444 0.607 20 0 GCADMN Cc1c(C(=O)N2C[C@@H](C)[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)cnn1C ZINC001571189490 952929045 /nfs/dbraw/zinc/92/90/45/952929045.db2.gz VWYZQIYEPRJVMH-QLJPJBMISA-N 0 1 381.444 0.607 20 0 GCADMN Cc1cn(C)nc1C(=O)NC[C@@H]1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571189528 952930317 /nfs/dbraw/zinc/93/03/17/952930317.db2.gz WUIXEFQNVBECAP-BETUJISGSA-N 0 1 381.444 0.654 20 0 GCADMN Cc1cc(C)n(CC(=O)N2C[C@@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)n1 ZINC001571189648 952932367 /nfs/dbraw/zinc/93/23/67/952932367.db2.gz ZOUPQKPFRZVQGF-OCCSQVGLSA-N 0 1 381.444 0.598 20 0 GCADMN O=C(c1c[nH]c(-c2nn[nH]n2)c1)N1CCC[C@H]1CNCc1cc2n(n1)CCC2 ZINC001571189829 952936341 /nfs/dbraw/zinc/93/63/41/952936341.db2.gz WFWBOVZMCHXKLG-HNNXBMFYSA-N 0 1 381.444 0.732 20 0 GCADMN Cc1ncn(C)c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@@H](C)C1 ZINC001571189908 952937699 /nfs/dbraw/zinc/93/76/99/952937699.db2.gz ZBDMIZZGTMYRQK-FZMZJTMJSA-N 0 1 381.444 0.688 20 0 GCADMN COC(=O)c1ccc2c(c1)N(C(=O)[C@H](C)n1cnc(-c3nn[nH]n3)n1)CCC2 ZINC001571194105 952958838 /nfs/dbraw/zinc/95/88/38/952958838.db2.gz GLLWHYSBNBJJTA-JTQLQIEISA-N 0 1 382.384 0.785 20 0 GCADMN COc1nn(C)cc1C(=O)N[C@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571198529 952991216 /nfs/dbraw/zinc/99/12/16/952991216.db2.gz BCRQYDBUJFURIM-AWEZNQCLSA-N 0 1 382.428 0.613 20 0 GCADMN Cc1cc(CC(=O)N2CC[C@@H](CNc3cc(C)[nH+]cc3-c3nnn[n-]3)C2)no1 ZINC001571202259 953024354 /nfs/dbraw/zinc/02/43/54/953024354.db2.gz SFFUZBXZCLPLFX-ZDUSSCGKSA-N 0 1 382.428 0.792 20 0 GCADMN Cc1cc(N[C@@H]2CN(C(=O)CCc3ccon3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571202640 953027412 /nfs/dbraw/zinc/02/74/12/953027412.db2.gz WTTBFKKZJYUGJV-BDJLRTHQSA-N 0 1 382.428 0.872 20 0 GCADMN C[C@H]1[C@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571204539 953030251 /nfs/dbraw/zinc/03/02/51/953030251.db2.gz AMFRIJFLKTYEAK-SMDDNHRTSA-N 0 1 382.432 0.173 20 0 GCADMN Cc1noc(C)c1CC(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571204689 953032530 /nfs/dbraw/zinc/03/25/30/953032530.db2.gz CBDMIQQEGKKWMX-UHFFFAOYSA-N 0 1 382.428 0.932 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cn(C)cn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571204848 953032631 /nfs/dbraw/zinc/03/26/31/953032631.db2.gz CXBQJUYKBNWOPO-WCQYABFASA-N 0 1 382.432 0.165 20 0 GCADMN CCn1cc(C(=O)N2CCC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c(C)n1 ZINC001571204891 953034110 /nfs/dbraw/zinc/03/41/10/953034110.db2.gz FFDSWOBEKHREAC-GFCCVEGCSA-N 0 1 382.432 0.320 20 0 GCADMN O=C(C1=COCCC1)N1CCC[C@H]2[C@@H]1CCN2c1ccnc(-c2nn[nH]n2)n1 ZINC001571204934 953034200 /nfs/dbraw/zinc/03/42/00/953034200.db2.gz DLHJBGORAUWIFT-KBPBESRZSA-N 0 1 382.428 0.921 20 0 GCADMN CC[C@H]1CN(C(=O)c2n[nH]cc2C)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571205599 953040223 /nfs/dbraw/zinc/04/02/23/953040223.db2.gz LMSFJLSKHPZLSC-NWDGAFQWSA-N 0 1 382.432 0.463 20 0 GCADMN CC(C)(C)n1ccc(C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571205784 953042134 /nfs/dbraw/zinc/04/21/34/953042134.db2.gz MAFODXLRKJQUNO-XYPYZODXSA-N 0 1 382.432 0.403 20 0 GCADMN C[C@@H]1C[C@@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CCc1c[nH]nn1 ZINC001571206201 953048466 /nfs/dbraw/zinc/04/84/66/953048466.db2.gz SEAJONVNSLOMPX-NEPJUHHUSA-N 0 1 382.432 0.804 20 0 GCADMN Cc1n[nH]cc1C(=O)N1C[C@@H](C)[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206306 953049211 /nfs/dbraw/zinc/04/92/11/953049211.db2.gz FLJVBUNGZQOTTD-ZYHUDNBSSA-N 0 1 382.432 0.320 20 0 GCADMN CCc1cc(C(=O)N[C@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1C ZINC001571206440 953051055 /nfs/dbraw/zinc/05/10/55/953051055.db2.gz UPAYFNZATVPYJI-QGZVFWFLSA-N 0 1 382.432 0.351 20 0 GCADMN CC[C@@H](C)n1nccc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206456 953051072 /nfs/dbraw/zinc/05/10/72/953051072.db2.gz UUNUEARSGFJQTP-VXGBXAGGSA-N 0 1 382.432 0.833 20 0 GCADMN CCn1nccc1C(=O)N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571206700 953054018 /nfs/dbraw/zinc/05/40/18/953054018.db2.gz JLNKWFIEGCEJJU-RYUDHWBXSA-N 0 1 382.432 0.306 20 0 GCADMN CCc1n[nH]cc1C(=O)NC[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206679 953054158 /nfs/dbraw/zinc/05/41/58/953054158.db2.gz WJMNXGPJRLLPKL-NSHDSACASA-N 0 1 382.432 0.589 20 0 GCADMN CCn1nccc1C(=O)NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571206834 953056101 /nfs/dbraw/zinc/05/61/01/953056101.db2.gz LEIOYKJUKFVHKE-UHFFFAOYSA-N 0 1 382.432 0.448 20 0 GCADMN CN(c1ccc(-c2nn[nH]n2)nn1)[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001571207071 953059404 /nfs/dbraw/zinc/05/94/04/953059404.db2.gz MMIDMDHMEXSWFM-CYBMUJFWSA-N 0 1 382.432 0.440 20 0 GCADMN CCn1ccnc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571207234 953060718 /nfs/dbraw/zinc/06/07/18/953060718.db2.gz OUHSBNZFIRMBSO-NEPJUHHUSA-N 0 1 382.432 0.660 20 0 GCADMN CCn1nccc1C(=O)N[C@H]1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207420 953062550 /nfs/dbraw/zinc/06/25/50/953062550.db2.gz RGBZEFYXLQLWHD-RYUDHWBXSA-N 0 1 382.432 0.448 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)c2cnn(C)n2)C1)c1ccncc1-c1nn[nH]n1 ZINC001571207470 953063274 /nfs/dbraw/zinc/06/32/74/953063274.db2.gz SFXVYLLGDCUCGC-GFCCVEGCSA-N 0 1 382.432 0.379 20 0 GCADMN CCn1ccc(C(=O)N2CC[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)n1 ZINC001571207439 953063942 /nfs/dbraw/zinc/06/39/42/953063942.db2.gz RPDJDOXNAHMYPQ-VXGBXAGGSA-N 0 1 382.432 0.258 20 0 GCADMN Cn1nccc1C(=O)N1CCCCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571209749 953066877 /nfs/dbraw/zinc/06/68/77/953066877.db2.gz COYSJNNTYPXIEV-LBPRGKRZSA-N 0 1 382.432 0.309 20 0 GCADMN Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@@H]2C)n1C ZINC001571211839 953081809 /nfs/dbraw/zinc/08/18/09/953081809.db2.gz HBGJUUPCRBAGSW-ZYHUDNBSSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nc(N[C@@H]2CCCN(C(=O)CCc3nc[nH]n3)C2)ccc1-c1nn[nH]n1 ZINC001571212179 953084965 /nfs/dbraw/zinc/08/49/65/953084965.db2.gz KNWXZGOWYLLANS-GFCCVEGCSA-N 0 1 382.432 0.724 20 0 GCADMN Cc1nn(C)cc1C(=O)NC[C@H]1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212334 953087119 /nfs/dbraw/zinc/08/71/19/953087119.db2.gz LTMKVFWZCQVWIG-NWDGAFQWSA-N 0 1 382.432 0.131 20 0 GCADMN Cc1cc(C(=O)N2CCC(CN(C)c3cnc(-c4nn[nH]n4)cn3)CC2)n[nH]1 ZINC001571212374 953087753 /nfs/dbraw/zinc/08/77/53/953087753.db2.gz MVZKEFXYQUBBQE-UHFFFAOYSA-N 0 1 382.432 0.677 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@@H](Nc2ccc(-c3nn[nH]n3)c(C)n2)[C@@H](C)C1 ZINC001571212393 953087892 /nfs/dbraw/zinc/08/78/92/953087892.db2.gz NNVMDDVBKASWOZ-TVQRCGJNSA-N 0 1 382.432 0.959 20 0 GCADMN Cc1cc(N2CC[C@@H](NC(=O)c3cn(C)nn3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213028 953092648 /nfs/dbraw/zinc/09/26/48/953092648.db2.gz PUPZUYMQLKDXSV-NWDGAFQWSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)c3cn(C)nn3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213027 953092741 /nfs/dbraw/zinc/09/27/41/953092741.db2.gz PUPZUYMQLKDXSV-NEPJUHHUSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nc([C@@H](C)N2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccc(-c3nn[nH]n3)[nH]2)n[nH]1 ZINC001571213160 953093089 /nfs/dbraw/zinc/09/30/89/953093089.db2.gz RNPDUCRFGIMGBT-JLLWLGSASA-N 0 1 382.432 0.671 20 0 GCADMN Cc1nc(NC[C@@H]2CCC[C@H]2NC(=O)Cc2nnc[nH]2)ccc1-c1nn[nH]n1 ZINC001571213153 953093391 /nfs/dbraw/zinc/09/33/91/953093391.db2.gz RLIIVXCEJPZHDS-WCQYABFASA-N 0 1 382.432 0.628 20 0 GCADMN CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571213667 953096235 /nfs/dbraw/zinc/09/62/35/953096235.db2.gz STYNSEBQCAVFCF-YQQAZPJKSA-N 0 1 382.472 0.926 20 0 GCADMN CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571213667 953096239 /nfs/dbraw/zinc/09/62/39/953096239.db2.gz STYNSEBQCAVFCF-YQQAZPJKSA-N 0 1 382.472 0.926 20 0 GCADMN CN1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(c1ncccc1-c1nn[nH]n1)C2 ZINC001571213690 953097774 /nfs/dbraw/zinc/09/77/74/953097774.db2.gz UJWKPDBUXSDYPA-RFUYNDQBSA-N 0 1 382.472 0.831 20 0 GCADMN Cc1ccn([C@@H](C)CC(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571213873 953098619 /nfs/dbraw/zinc/09/86/19/953098619.db2.gz YAFOUBNBSRJXJC-STQMWFEESA-N 0 1 382.432 0.248 20 0 GCADMN Cn1cnnc1CN[C@@H]1C[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 ZINC001571214109 953099202 /nfs/dbraw/zinc/09/92/02/953099202.db2.gz YHFKSZRGUIBQCI-CHWSQXEVSA-N 0 1 382.432 0.154 20 0 GCADMN CN1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1CN(c1ccc(-c3nn[nH]n3)nc1)C2 ZINC001571214055 953099750 /nfs/dbraw/zinc/09/97/50/953099750.db2.gz VWYICBRZSWBRMM-AXHNFQJDSA-N 0 1 382.472 0.831 20 0 GCADMN Cn1cnnc1CN[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C12CCC2 ZINC001571214112 953099888 /nfs/dbraw/zinc/09/98/88/953099888.db2.gz YHFKSZRGUIBQCI-STQMWFEESA-N 0 1 382.432 0.154 20 0 GCADMN Cc1nc(CN2CC[C@]3(NC(=O)c4c[nH]c(-c5nn[nH]n5)c4)CCC[C@@H]23)n[nH]1 ZINC001571214192 953100636 /nfs/dbraw/zinc/10/06/36/953100636.db2.gz ZCUOZPJUBBUEGT-CXAGYDPISA-N 0 1 382.432 0.548 20 0 GCADMN Cc1nc(N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCN2C)C3)ccc1-c1nn[nH]n1 ZINC001571217310 953107291 /nfs/dbraw/zinc/10/72/91/953107291.db2.gz FFIVKUFJTPTCAT-SYAUCNOPSA-N 0 1 382.472 0.890 20 0 GCADMN C[C@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001571217337 953107307 /nfs/dbraw/zinc/10/73/07/953107307.db2.gz IHLKKZOZTXRUBQ-QWRGUYRKSA-N 0 1 383.391 0.575 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cncc(F)c2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571217862 953111019 /nfs/dbraw/zinc/11/10/19/953111019.db2.gz QZCMCIPQFHFFLI-GWCFXTLKSA-N 0 1 383.391 0.978 20 0 GCADMN CC1(C)CN(C(=O)c2cncc(F)c2)C[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571217946 953112045 /nfs/dbraw/zinc/11/20/45/953112045.db2.gz SSDGLEBNJBYLTJ-GFCCVEGCSA-N 0 1 383.391 0.575 20 0 GCADMN COCc1ccc(C(=O)N2CC[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)o1 ZINC001571218556 953115936 /nfs/dbraw/zinc/11/59/36/953115936.db2.gz BAWQBKMOHVQTJZ-LBPRGKRZSA-N 0 1 383.412 0.997 20 0 GCADMN CS[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1 ZINC001571218914 953121096 /nfs/dbraw/zinc/12/10/96/953121096.db2.gz SLFXSSZZZHKAMW-WDEREUQCSA-N 0 1 382.515 0.997 20 0 GCADMN CS[C@@H](C)C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1 ZINC001571218914 953121099 /nfs/dbraw/zinc/12/10/99/953121099.db2.gz SLFXSSZZZHKAMW-WDEREUQCSA-N 0 1 382.515 0.997 20 0 GCADMN O=C(N[C@@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ncccc1F ZINC001571219197 953123414 /nfs/dbraw/zinc/12/34/14/953123414.db2.gz LVSKYENKESJGAK-CMPLNLGQSA-N 0 1 383.391 0.623 20 0 GCADMN O=C(NC1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1)c1ccncc1F ZINC001571219781 953127553 /nfs/dbraw/zinc/12/75/53/953127553.db2.gz SMOJNIRPAJKFSZ-UHFFFAOYSA-N 0 1 383.391 0.766 20 0 GCADMN O=C(NC[C@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)c1ccc(F)cn1 ZINC001571219919 953127632 /nfs/dbraw/zinc/12/76/32/953127632.db2.gz SXOIEGCGIGYYRI-GFCCVEGCSA-N 0 1 383.391 0.980 20 0 GCADMN COc1nccc(CNC[C@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001571222694 953137818 /nfs/dbraw/zinc/13/78/18/953137818.db2.gz JHSUYEBPMOJWHH-CYBMUJFWSA-N 0 1 383.416 0.388 20 0 GCADMN CC(C)c1oncc1C(=O)N1CCC(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571222806 953138810 /nfs/dbraw/zinc/13/88/10/953138810.db2.gz LKQGRZRVINNJSS-UHFFFAOYSA-N 0 1 383.416 0.907 20 0 GCADMN CCc1ocnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571223237 953142430 /nfs/dbraw/zinc/14/24/30/953142430.db2.gz QXTHCQUMLDDKBA-WDEREUQCSA-N 0 1 383.416 0.994 20 0 GCADMN CCc1cc(C(=O)N2CC[C@@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)no1 ZINC001571223675 953145822 /nfs/dbraw/zinc/14/58/22/953145822.db2.gz SKKAGZWSRIGHDQ-KRWDZBQOSA-N 0 1 383.416 0.593 20 0 GCADMN COc1cc(C(=O)N(C)C2CC(Nc3ccncc3-c3nn[nH]n3)C2)nn1C ZINC001571223835 953146866 /nfs/dbraw/zinc/14/68/66/953146866.db2.gz XWPPAIFBDFRONK-UHFFFAOYSA-N 0 1 383.416 0.141 20 0 GCADMN CCc1oncc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@@H](C)C1 ZINC001571223844 953146938 /nfs/dbraw/zinc/14/69/38/953146938.db2.gz YIEIKEVLIAMTOU-CMPLNLGQSA-N 0 1 383.416 0.592 20 0 GCADMN CC[C@H]1CN(C(=O)c2coc(C)n2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571224005 953148277 /nfs/dbraw/zinc/14/82/77/953148277.db2.gz WXRUGSAHSUXHCT-NWDGAFQWSA-N 0 1 383.416 0.728 20 0 GCADMN CC[C@H]1CN(C(=O)c2coc(C)n2)CC[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571224007 953148587 /nfs/dbraw/zinc/14/85/87/953148587.db2.gz WXRUGSAHSUXHCT-RYUDHWBXSA-N 0 1 383.416 0.728 20 0 GCADMN O=C(C[C@H]1COC(=O)C1)N1C[C@H]2CN(c3ccncc3-c3nn[nH]n3)C[C@H]2C1 ZINC001571224142 953149312 /nfs/dbraw/zinc/14/93/12/953149312.db2.gz ZANPFJXHMAZVSR-UPJWGTAASA-N 0 1 383.412 0.110 20 0 GCADMN C[C@H]1CN(C(=O)C2=NC(=O)N(C)C2)CC[C@@H]1Nc1ccc(-c2nn[nH]n2)cn1 ZINC001571224129 953149367 /nfs/dbraw/zinc/14/93/67/953149367.db2.gz YVKRUMCTRGTBDO-JQWIXIFHSA-N 0 1 383.416 0.664 20 0 GCADMN Cc1nc(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)co1 ZINC001571224944 953152052 /nfs/dbraw/zinc/15/20/52/953152052.db2.gz HBFAJUSZEJDQDB-PWSUYJOCSA-N 0 1 383.416 0.585 20 0 GCADMN Cc1cc(CC(=O)NC2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)no1 ZINC001571224961 953152311 /nfs/dbraw/zinc/15/23/11/953152311.db2.gz HHYBUOLHQHRFSL-UHFFFAOYSA-N 0 1 383.416 0.457 20 0 GCADMN Cc1nc(N[C@H](C)[C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)ccc1-c1nn[nH]n1 ZINC001571225621 953153771 /nfs/dbraw/zinc/15/37/71/953153771.db2.gz LRUWSTGQEGDTRG-RISCZKNCSA-N 0 1 383.416 0.635 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001571225903 953154575 /nfs/dbraw/zinc/15/45/75/953154575.db2.gz OCZYQMNCYOKBKG-ZWNOBZJWSA-N 0 1 383.416 0.728 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001571225900 953154718 /nfs/dbraw/zinc/15/47/18/953154718.db2.gz OCZYQMNCYOKBKG-GWCFXTLKSA-N 0 1 383.416 0.728 20 0 GCADMN Cc1conc1C(=O)N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001571227152 953158364 /nfs/dbraw/zinc/15/83/64/953158364.db2.gz ZUERFYJWJDUEME-LLVKDONJSA-N 0 1 383.416 0.988 20 0 GCADMN Cc1conc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1(C)C ZINC001571227153 953158561 /nfs/dbraw/zinc/15/85/61/953158561.db2.gz ZUERFYJWJDUEME-NSHDSACASA-N 0 1 383.416 0.988 20 0 GCADMN CN1CC(C(=O)N2CCC(CNc3ccc(-c4nn[nH]n4)cn3)CC2)=NC1=O ZINC001571228360 953163718 /nfs/dbraw/zinc/16/37/18/953163718.db2.gz NORDEUFIHXEGML-UHFFFAOYSA-N 0 1 383.416 0.665 20 0 GCADMN CN1C[C@@H](C(=O)N2CCCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1=O ZINC001571230482 953177428 /nfs/dbraw/zinc/17/74/28/953177428.db2.gz FDOYIFSKKUFDOV-INIZCTEOSA-N 0 1 383.456 0.379 20 0 GCADMN CN1C(=O)CCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571230740 953179339 /nfs/dbraw/zinc/17/93/39/953179339.db2.gz IXYPRROOBNWBTF-CVEARBPZSA-N 0 1 383.456 0.568 20 0 GCADMN O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)c1nccs1 ZINC001571231007 953182003 /nfs/dbraw/zinc/18/20/03/953182003.db2.gz PVCMUADRAIHFCC-JTQLQIEISA-N 0 1 383.441 0.902 20 0 GCADMN CN(C)C(=O)[C@@H]1CCCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC001571230960 953182144 /nfs/dbraw/zinc/18/21/44/953182144.db2.gz OIPISLUMRXDIRO-GDBMZVCRSA-N 0 1 383.456 0.772 20 0 GCADMN COCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571231141 953183573 /nfs/dbraw/zinc/18/35/73/953183573.db2.gz UBBDMPHHEGHRCI-UKMLZYKCSA-N 0 1 383.456 0.890 20 0 GCADMN Cc1cc(N[C@H]2C[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232209 953186278 /nfs/dbraw/zinc/18/62/78/953186278.db2.gz CALURDUPFZGKJU-WBOJAVRRSA-N 0 1 383.456 0.866 20 0 GCADMN O=C(N1CCC(CCNc2ccncc2-c2nn[nH]n2)CC1)[C@]12C[C@H]1COC2 ZINC001571232703 953188518 /nfs/dbraw/zinc/18/85/18/953188518.db2.gz JJNYHTNRIRQGOJ-LIRRHRJNSA-N 0 1 383.456 0.761 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232624 953188693 /nfs/dbraw/zinc/18/86/93/953188693.db2.gz INDIYVUDHNPLLC-AYMQEEERSA-N 0 1 383.456 0.820 20 0 GCADMN C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571232677 953188730 /nfs/dbraw/zinc/18/87/30/953188730.db2.gz IZWMCWHJZKNQBA-JSGCOSHPSA-N 0 1 383.460 0.544 20 0 GCADMN CC1(Nc2ccc(-c3nnn[n-]3)nn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001571233513 953192851 /nfs/dbraw/zinc/19/28/51/953192851.db2.gz WYSGHBPLFIOKKF-UHFFFAOYSA-N 0 1 383.460 0.546 20 0 GCADMN CC1(Nc2ccc(-c3nn[n-]n3)nn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001571233513 953192852 /nfs/dbraw/zinc/19/28/52/953192852.db2.gz WYSGHBPLFIOKKF-UHFFFAOYSA-N 0 1 383.460 0.546 20 0 GCADMN O=C(N1CCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C12CCC[NH+]1CCC2 ZINC001571233826 953196101 /nfs/dbraw/zinc/19/61/01/953196101.db2.gz FKWXZXBOCCRGFR-ZDUSSCGKSA-N 0 1 383.460 0.688 20 0 GCADMN O=C(N1CCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C12CCC[NH+]1CCC2 ZINC001571233826 953196104 /nfs/dbraw/zinc/19/61/04/953196104.db2.gz FKWXZXBOCCRGFR-ZDUSSCGKSA-N 0 1 383.460 0.688 20 0 GCADMN O=C(NC1CCN(c2cncc(-c3nnn[n-]3)n2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001571233790 953196243 /nfs/dbraw/zinc/19/62/43/953196243.db2.gz DDQHXFSXWISZOP-AWEZNQCLSA-N 0 1 383.460 0.084 20 0 GCADMN O=C(NC1CCN(c2cncc(-c3nn[n-]n3)n2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001571233790 953196246 /nfs/dbraw/zinc/19/62/46/953196246.db2.gz DDQHXFSXWISZOP-AWEZNQCLSA-N 0 1 383.460 0.084 20 0 GCADMN C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001571233897 953196642 /nfs/dbraw/zinc/19/66/42/953196642.db2.gz HIWSYSNJIIOKGF-OKILXGFUSA-N 0 1 383.460 0.321 20 0 GCADMN C[N@@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)nn1)C1CCC1 ZINC001571233897 953196643 /nfs/dbraw/zinc/19/66/43/953196643.db2.gz HIWSYSNJIIOKGF-OKILXGFUSA-N 0 1 383.460 0.321 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571233853 953196826 /nfs/dbraw/zinc/19/68/26/953196826.db2.gz GESAWOGENNFWIH-DFHBCGBQSA-N 0 1 383.460 0.036 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)nn3)C[C@@]2(C)C1 ZINC001571233853 953196828 /nfs/dbraw/zinc/19/68/28/953196828.db2.gz GESAWOGENNFWIH-DFHBCGBQSA-N 0 1 383.460 0.036 20 0 GCADMN O=C(N1CCCC[C@H]1CNc1nccnc1-c1nnn[n-]1)C12CC[NH+](CC1)C2 ZINC001571233845 953197110 /nfs/dbraw/zinc/19/71/10/953197110.db2.gz GAJGDDHODRYQLL-ZDUSSCGKSA-N 0 1 383.460 0.546 20 0 GCADMN O=C(N1CCCC[C@H]1CNc1nccnc1-c1nn[n-]n1)C12CC[NH+](CC1)C2 ZINC001571233845 953197111 /nfs/dbraw/zinc/19/71/11/953197111.db2.gz GAJGDDHODRYQLL-ZDUSSCGKSA-N 0 1 383.460 0.546 20 0 GCADMN Cn1cc(CN2CC[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)C2)cn1 ZINC001571234139 953198877 /nfs/dbraw/zinc/19/88/77/953198877.db2.gz NYSYOKALIQEUKC-HNNXBMFYSA-N 0 1 383.460 0.959 20 0 GCADMN Cn1cc(CN2CC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C(C)(C)C2)cn1 ZINC001571234140 953198996 /nfs/dbraw/zinc/19/89/96/953198996.db2.gz NYSYOKALIQEUKC-OAHLLOKOSA-N 0 1 383.460 0.959 20 0 GCADMN O=C(NC[C@@H]1CCCN(c2nccnc2-c2nnn[n-]2)C1)C12CC[NH+](CC1)C2 ZINC001571234235 953199848 /nfs/dbraw/zinc/19/98/48/953199848.db2.gz QKIMYRHNOUIUFJ-ZDUSSCGKSA-N 0 1 383.460 0.085 20 0 GCADMN O=C(NC[C@@H]1CCCN(c2nccnc2-c2nn[n-]n2)C1)C12CC[NH+](CC1)C2 ZINC001571234235 953199850 /nfs/dbraw/zinc/19/98/50/953199850.db2.gz QKIMYRHNOUIUFJ-ZDUSSCGKSA-N 0 1 383.460 0.085 20 0 GCADMN O=C(C[NH+]1CCCC1)NC1CC2(C1)CC(Nc1cnc(-c3nn[n-]n3)cn1)C2 ZINC001571234289 953200738 /nfs/dbraw/zinc/20/07/38/953200738.db2.gz 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ZINC001598616216 993885156 /nfs/dbraw/zinc/88/51/56/993885156.db2.gz JYGIZIJYLFSKNV-HUUCEWRRSA-N 0 1 375.535 0.965 20 0 GCADMN CN(C(=O)CN1CC[NH+](C)CC1)c1ccc(NC(=O)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC001598616237 993886433 /nfs/dbraw/zinc/88/64/33/993886433.db2.gz PLMBWMJEWCQOKP-GASCZTMLSA-N 0 1 388.468 0.946 20 0 GCADMN CN(CCC(=O)[O-])S(=O)(=O)NCc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001598619449 993971868 /nfs/dbraw/zinc/97/18/68/993971868.db2.gz MBULHWDNYXDLQP-UHFFFAOYSA-N 0 1 384.502 0.175 20 0 GCADMN C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001598619435 993971957 /nfs/dbraw/zinc/97/19/57/993971957.db2.gz LKMUIMOYHCLMBK-ROUUACIJSA-N 0 1 390.484 0.688 20 0 GCADMN C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC001598619435 993971964 /nfs/dbraw/zinc/97/19/64/993971964.db2.gz LKMUIMOYHCLMBK-ROUUACIJSA-N 0 1 390.484 0.688 20 0 GCADMN COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(CC(=O)[O-])c1 ZINC001599614039 993991866 /nfs/dbraw/zinc/99/18/66/993991866.db2.gz QADGMEIMPQEAKB-HOTGVXAUSA-N 0 1 398.481 0.542 20 0 GCADMN COc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(CC(=O)[O-])c1 ZINC001599614039 993991877 /nfs/dbraw/zinc/99/18/77/993991877.db2.gz QADGMEIMPQEAKB-HOTGVXAUSA-N 0 1 398.481 0.542 20 0 GCADMN C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H](C(=O)[O-])C1 ZINC001598621024 994005981 /nfs/dbraw/zinc/00/59/81/994005981.db2.gz IBCOEHUHKMLNNT-QMMMGPOBSA-N 0 1 378.863 0.686 20 0 GCADMN C[N@H+]1CCN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H](C(=O)[O-])C1 ZINC001598621024 994005993 /nfs/dbraw/zinc/00/59/93/994005993.db2.gz IBCOEHUHKMLNNT-QMMMGPOBSA-N 0 1 378.863 0.686 20 0 GCADMN C[N@H+]1CCN(S(=O)(=O)C[C@H]2CCC3(CCOCC3)CO2)C[C@H](C(=O)[O-])C1 ZINC001598621072 994007361 /nfs/dbraw/zinc/00/73/61/994007361.db2.gz MISKMQDFWBBQHK-HUUCEWRRSA-N 0 1 390.502 0.240 20 0 GCADMN COc1ccc(S(=O)(=O)NCCCN2CCC[N@@H+](C)CC2)c(C(=O)[O-])c1 ZINC001599615496 994009353 /nfs/dbraw/zinc/00/93/53/994009353.db2.gz MPUADVMBMLBHIB-UHFFFAOYSA-N 0 1 385.486 0.699 20 0 GCADMN C[N@H+]1CCN(Cc2nnnn2-c2ccccc2Br)C[C@H](C(=O)[O-])C1 ZINC001598621964 994021197 /nfs/dbraw/zinc/02/11/97/994021197.db2.gz XFZFBKHNKXFTBX-LLVKDONJSA-N 0 1 395.261 0.873 20 0 GCADMN C[N@H+]1CC[C@H]2CN(C(=O)C(=O)N3CCc4c(F)ccc(C(=O)[O-])c4C3)C[C@H]21 ZINC001598625125 994075322 /nfs/dbraw/zinc/07/53/22/994075322.db2.gz DDJOPGKAVSQXEI-MEDUHNTESA-N 0 1 375.400 0.571 20 0 GCADMN C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(-n4[nH]c(CC(=O)[O-])cc4=O)cc3)C[C@H]2C1 ZINC001598626830 994110787 /nfs/dbraw/zinc/11/07/87/994110787.db2.gz QOUZLSNISKDAJU-LSDHHAIUSA-N 0 1 384.436 0.816 20 0 GCADMN CNC(=O)C[N@H+](CCC(=O)NCC(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC001598642979 994341437 /nfs/dbraw/zinc/34/14/37/994341437.db2.gz VMPQGPPXIFOPDW-UHFFFAOYSA-N 0 1 375.347 0.844 20 0 GCADMN CNC(=O)C[N@@H+](CCC(=O)NCC(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC001598642979 994341447 /nfs/dbraw/zinc/34/14/47/994341447.db2.gz VMPQGPPXIFOPDW-UHFFFAOYSA-N 0 1 375.347 0.844 20 0 GCADMN CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001598647760 994397408 /nfs/dbraw/zinc/39/74/08/994397408.db2.gz NXIKXHRYVSIAHW-GFCCVEGCSA-N 0 1 378.429 0.973 20 0 GCADMN CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC001598649645 994423449 /nfs/dbraw/zinc/42/34/49/994423449.db2.gz RXXMADZQOVDWPC-GFCCVEGCSA-N 0 1 394.428 0.040 20 0 GCADMN CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC001598649645 994423454 /nfs/dbraw/zinc/42/34/54/994423454.db2.gz RXXMADZQOVDWPC-GFCCVEGCSA-N 0 1 394.428 0.040 20 0 GCADMN CNC(=O)Oc1cccc(NC(=O)N2CC[NH+]([C@@]3(C(=O)[O-])CCOC3)CC2)c1 ZINC001598654787 994503652 /nfs/dbraw/zinc/50/36/52/994503652.db2.gz XYZIZHINHSKNHZ-SFHVURJKSA-N 0 1 392.412 0.798 20 0 GCADMN CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@@H]2C)ccc1F ZINC001598673306 994795735 /nfs/dbraw/zinc/79/57/35/994795735.db2.gz LMWKOSPICDAQHZ-NSHDSACASA-N 0 1 387.433 0.355 20 0 GCADMN CNS(=O)(=O)c1ccc(N2CC[NH+](Cc3c[nH]c(C(=O)[O-])c3)CC2)cc1 ZINC001598675167 994829948 /nfs/dbraw/zinc/82/99/48/994829948.db2.gz HPBCYWPPISTXPC-UHFFFAOYSA-N 0 1 378.454 0.943 20 0 GCADMN CNS(=O)(=O)c1cccc(NC(=O)C[NH2+]Cc2ccc(C(=O)[O-])cn2)c1 ZINC001598676037 994845025 /nfs/dbraw/zinc/84/50/25/994845025.db2.gz VIBDEHRMJNBOCF-UHFFFAOYSA-N 0 1 378.410 0.416 20 0 GCADMN COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2CCC([C@H](O)C(=O)[O-])CC2)c1 ZINC001599679480 994955714 /nfs/dbraw/zinc/95/57/14/994955714.db2.gz YTAVAXXQKGSAFD-SFHVURJKSA-N 0 1 393.440 0.250 20 0 GCADMN COC(=O)C(C)(C)N1CC[NH+](C[C@H](O)COc2ccc(C(=O)[O-])cc2)CC1 ZINC001598683876 994976037 /nfs/dbraw/zinc/97/60/37/994976037.db2.gz LDLZROIVPMPCGL-HNNXBMFYSA-N 0 1 380.441 0.694 20 0 GCADMN C[C@@](O)(C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1)c1ccc(S(C)(=O)=O)cc1 ZINC001593396533 995142606 /nfs/dbraw/zinc/14/26/06/995142606.db2.gz OWCVQLZWYNBKKN-BMGDILEWSA-N 0 1 383.466 0.721 20 0 GCADMN CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCN([C@@]2(C(=O)[O-])CCOC2)CC1 ZINC001593406450 995171513 /nfs/dbraw/zinc/17/15/13/995171513.db2.gz BLRPYDFXFXLLMY-ROUUACIJSA-N 0 1 387.477 0.123 20 0 GCADMN CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001593406447 995171784 /nfs/dbraw/zinc/17/17/84/995171784.db2.gz BLRPYDFXFXLLMY-QZTJIDSGSA-N 0 1 387.477 0.123 20 0 GCADMN CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCN([C@]2(C(=O)[O-])CCOC2)CC1 ZINC001593406453 995171830 /nfs/dbraw/zinc/17/18/30/995171830.db2.gz BLRPYDFXFXLLMY-ZWKOTPCHSA-N 0 1 387.477 0.123 20 0 GCADMN COC(=O)[C@]1(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])O2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001598723449 995503805 /nfs/dbraw/zinc/50/38/05/995503805.db2.gz HCONZZQEZXFYSK-GUXCAODWSA-N 0 1 390.436 0.943 20 0 GCADMN COC(=O)[C@@]1(NCCC(=O)N(C)CC(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001598725890 995518611 /nfs/dbraw/zinc/51/86/11/995518611.db2.gz SSWKZPZUTOXWAJ-HXUWFJFHSA-N 0 1 391.468 0.717 20 0 GCADMN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)CCS2 ZINC001598766951 995842501 /nfs/dbraw/zinc/84/25/01/995842501.db2.gz VYCIHJUIANFRKD-RYTBJUFESA-N 0 1 399.513 0.862 20 0 GCADMN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)[O-])C1)CCS2 ZINC001598766949 995842715 /nfs/dbraw/zinc/84/27/15/995842715.db2.gz VYCIHJUIANFRKD-NTXUUIFSSA-N 0 1 399.513 0.862 20 0 GCADMN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001598776417 995934523 /nfs/dbraw/zinc/93/45/23/995934523.db2.gz KVJTZPHHCQVBOD-CABCVRRESA-N 0 1 399.488 0.877 20 0 GCADMN COC(=O)C1CCC(NC(=O)CC[NH+]2CCN(C(C)C)CC2)(C(=O)[O-])CC1 ZINC001598784851 996020188 /nfs/dbraw/zinc/02/01/88/996020188.db2.gz NSPHDJITXFOXQC-UHFFFAOYSA-N 0 1 383.489 0.705 20 0 GCADMN COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001598790179 996065249 /nfs/dbraw/zinc/06/52/49/996065249.db2.gz PDAFSEDSDGAGPN-DGCLKSJQSA-N 0 1 379.417 0.023 20 0 GCADMN COC(=O)[C@@H]1CC[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)[C@H](C(=O)[O-])C1 ZINC001598803482 996162284 /nfs/dbraw/zinc/16/22/84/996162284.db2.gz MAXVEQMZFKSHAF-CABCVRRESA-N 0 1 377.445 0.067 20 0 GCADMN COC(=O)[C@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@@H]1C(=O)[O-] ZINC001598806553 996192152 /nfs/dbraw/zinc/19/21/52/996192152.db2.gz DUEPFLQCHUJZIW-HOTGVXAUSA-N 0 1 375.425 0.560 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)C[C@H]1C(=O)[O-] ZINC001598806554 996192222 /nfs/dbraw/zinc/19/22/22/996192222.db2.gz DUEPFLQCHUJZIW-HZPDHXFCSA-N 0 1 375.425 0.560 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccccc2Br)C[C@@H]1C(=O)[O-] ZINC001598807385 996199604 /nfs/dbraw/zinc/19/96/04/996199604.db2.gz MFBPFQMMUJOADV-HOSYDEDBSA-N 0 1 385.214 0.781 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(=O)[O-] ZINC001598809867 996221728 /nfs/dbraw/zinc/22/17/28/996221728.db2.gz UIFJVMBGMUQBPK-QINHECLXSA-N 0 1 390.436 0.346 20 0 GCADMN C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN2CCC[C@H](O)[C@@H]2C(=O)[O-])CC1 ZINC001593713705 996223825 /nfs/dbraw/zinc/22/38/25/996223825.db2.gz MYNCJXSPBCRDPB-HHXXYDBFSA-N 0 1 375.469 0.802 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])CC[N@H+](C)C1 ZINC001598816038 996271195 /nfs/dbraw/zinc/27/11/95/996271195.db2.gz ADRGIBYZAXFROQ-LBPRGKRZSA-N 0 1 379.413 0.330 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)[O-])CC[N@@H+](C)C1 ZINC001598816038 996271199 /nfs/dbraw/zinc/27/11/99/996271199.db2.gz ADRGIBYZAXFROQ-LBPRGKRZSA-N 0 1 379.413 0.330 20 0 GCADMN COC(=O)[C@@H]1CN([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC[N@@H+](C)C1 ZINC001598816137 996272096 /nfs/dbraw/zinc/27/20/96/996272096.db2.gz AULQOQPZRQTHPF-WCQYABFASA-N 0 1 381.454 0.588 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)CCCOc2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC001598821497 996332391 /nfs/dbraw/zinc/33/23/91/996332391.db2.gz ZFUMQYUFUWEQLA-JKSUJKDBSA-N 0 1 396.415 0.859 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C[C@H]1C(=O)[O-] ZINC001598821704 996335170 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CCC[C@@H]1CN(C(=O)[C@@H](NS(C)(=O)=O)[C@@H](C)CC)CCN1CCOC ZINC000501594835 530869238 /nfs/dbraw/zinc/86/92/38/530869238.db2.gz NLLVHALDPMTKLL-XHSDSOJGSA-N 0 1 377.551 0.910 20 0 GCADMN O=C(NCCn1cc(Br)ccc1=O)N1CC[C@H](c2nc[nH]n2)C1 ZINC000583318728 530869609 /nfs/dbraw/zinc/86/96/09/530869609.db2.gz DQUJLOMIOKMGPZ-JTQLQIEISA-N 0 1 381.234 0.928 20 0 GCADMN O=C(CNS(=O)(=O)c1cc(Cl)ccc1OC(F)F)N1CCNCC1 ZINC000583321337 530869707 /nfs/dbraw/zinc/86/97/07/530869707.db2.gz BHCLKJSGNPHXPK-UHFFFAOYSA-N 0 1 383.804 0.652 20 0 GCADMN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@@H+]1CCC[C@@H]1C(=O)[O-] ZINC000583327463 530869814 /nfs/dbraw/zinc/86/98/14/530869814.db2.gz PBUBAGRPPJVRSC-GFCCVEGCSA-N 0 1 390.483 0.260 20 0 GCADMN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[N@H+]1CCC[C@@H]1C(=O)[O-] ZINC000583327463 530869818 /nfs/dbraw/zinc/86/98/18/530869818.db2.gz PBUBAGRPPJVRSC-GFCCVEGCSA-N 0 1 390.483 0.260 20 0 GCADMN O=C(C[C@@H]1COCCN1)NCCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000583747628 530871510 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CC[C@@H](NC(=O)C(=O)NC[C@H]1COCCN1)c1nc(C(F)(F)F)cs1 ZINC000627314694 530839481 /nfs/dbraw/zinc/83/94/81/530839481.db2.gz KCAKDPAXUHWLRS-DTWKUNHWSA-N 0 1 380.392 0.834 20 0 GCADMN CC(C)[C@H](C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1)N1CCCS1(=O)=O ZINC000502478032 530874111 /nfs/dbraw/zinc/87/41/11/530874111.db2.gz HZLWJXPWMZDODK-BZUAXINKSA-N 0 1 375.535 0.662 20 0 GCADMN CC1(C)C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cnc[nH]2)CCO1 ZINC000656381284 530841855 /nfs/dbraw/zinc/84/18/55/530841855.db2.gz BLAIVYNEMZFGBI-LLVKDONJSA-N 0 1 380.492 0.419 20 0 GCADMN CO[C@@H]1C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cnc[nH]2)C12CCC2 ZINC000656380700 530842079 /nfs/dbraw/zinc/84/20/79/530842079.db2.gz APGZYLXEVAIYIN-NWDGAFQWSA-N 0 1 392.503 0.419 20 0 GCADMN CC1(C)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)Nc2cnc[nH]2)CCO1 ZINC000656381285 530842132 /nfs/dbraw/zinc/84/21/32/530842132.db2.gz BLAIVYNEMZFGBI-NSHDSACASA-N 0 1 380.492 0.419 20 0 GCADMN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC[C@H]1CCO ZINC000494322720 530842924 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/nfs/dbraw/zinc/21/30/72/607213072.db2.gz CCTBJLKOZLGYBX-UHFFFAOYSA-N 0 1 390.367 0.166 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(NC(=O)Oc2ccccc2)CC1 ZINC000823150226 607213943 /nfs/dbraw/zinc/21/39/43/607213943.db2.gz MMMKPGMHCAVKRF-UHFFFAOYSA-N 0 1 397.399 0.238 20 0 GCADMN CN(C(=O)OC(C)(C)C)C1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000821571859 607215418 /nfs/dbraw/zinc/21/54/18/607215418.db2.gz INRLKTCXUHBLQI-UHFFFAOYSA-N 0 1 391.436 0.316 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCCc1nc(-c2ccccn2)cs1 ZINC000823131431 607215714 /nfs/dbraw/zinc/21/57/14/607215714.db2.gz HFUBHHYZLPJXML-UHFFFAOYSA-N 0 1 382.413 0.336 20 0 GCADMN O=C(CC1CCCC1)NC1CCN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)CC1 ZINC000822940818 607216275 /nfs/dbraw/zinc/21/62/75/607216275.db2.gz FUSYMBASDQLQRO-UHFFFAOYSA-N 0 1 387.448 0.146 20 0 GCADMN COC(=O)CCCOc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1 ZINC000821661423 607216890 /nfs/dbraw/zinc/21/68/90/607216890.db2.gz ISKZCFJMXYCETM-UHFFFAOYSA-N 0 1 386.372 0.429 20 0 GCADMN CCN(CCCNC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OC(C)(C)C ZINC000821207480 607217065 /nfs/dbraw/zinc/21/70/65/607217065.db2.gz NTCOJTAIHDSQMM-UHFFFAOYSA-N 0 1 379.425 0.222 20 0 GCADMN CC(C)[C@H](CNC(=O)Cn1cnc(-c2nn[nH]n2)n1)NC(=O)OC(C)(C)C ZINC000820021055 607217259 /nfs/dbraw/zinc/21/72/59/607217259.db2.gz OWONVNHBMFLQCU-JTQLQIEISA-N 0 1 379.425 0.124 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCc2ccc(Br)cc21 ZINC000823127140 607217289 /nfs/dbraw/zinc/21/72/89/607217289.db2.gz USGFLEPRGFXTKS-UHFFFAOYSA-N 0 1 375.190 0.810 20 0 GCADMN Cn1[nH]c(-c2ccccc2)c2c(NC(=O)Cn3cnc(-c4nn[nH]n4)n3)nnc1-2 ZINC000822704519 607217750 /nfs/dbraw/zinc/21/77/50/607217750.db2.gz MGARIXIQAABSIZ-UHFFFAOYSA-N 0 1 390.371 0.374 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(c2cccc(F)c2F)CC1 ZINC000823127023 607217884 /nfs/dbraw/zinc/21/78/84/607217884.db2.gz QWMPPESROCWYOE-UHFFFAOYSA-N 0 1 375.343 0.085 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000823131996 607217925 /nfs/dbraw/zinc/21/79/25/607217925.db2.gz UUMCGXUBXXYQBE-UHFFFAOYSA-N 0 1 386.763 0.478 20 0 GCADMN COC[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1cccc(C(F)(F)F)c1 ZINC000821682825 607218276 /nfs/dbraw/zinc/21/82/76/607218276.db2.gz OKFFMCHCIISOEP-LLVKDONJSA-N 0 1 396.333 0.981 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000823127153 607218377 /nfs/dbraw/zinc/21/83/77/607218377.db2.gz UXTFHZRQJOAZMP-SNVBAGLBSA-N 0 1 383.199 0.615 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000823136206 607218476 /nfs/dbraw/zinc/21/84/76/607218476.db2.gz OLZRVBFPWRRWKT-UONOGXRCSA-N 0 1 384.400 0.779 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000823122986 607218538 /nfs/dbraw/zinc/21/85/38/607218538.db2.gz JXHSRMGILASUGI-HNNXBMFYSA-N 0 1 386.391 0.570 20 0 GCADMN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000820098015 607220454 /nfs/dbraw/zinc/22/04/54/607220454.db2.gz VSUJUQQGZKEYHF-JTQLQIEISA-N 0 1 390.408 0.233 20 0 GCADMN COC(=O)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccc(Cl)cc1 ZINC000821640893 607221008 /nfs/dbraw/zinc/22/10/08/607221008.db2.gz RFIRMRYKSULIAI-NSHDSACASA-N 0 1 376.764 0.142 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000820758924 607221541 /nfs/dbraw/zinc/22/15/41/607221541.db2.gz FYUDPWAPWRWJBU-HIFRSBDPSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820758924 607221542 /nfs/dbraw/zinc/22/15/42/607221542.db2.gz FYUDPWAPWRWJBU-HIFRSBDPSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820758924 607221543 /nfs/dbraw/zinc/22/15/43/607221543.db2.gz FYUDPWAPWRWJBU-HIFRSBDPSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1noc(Cc2ccccc2)n1 ZINC000820335138 607221921 /nfs/dbraw/zinc/22/19/21/607221921.db2.gz UEBXGTKRNIBSRZ-JTQLQIEISA-N 0 1 380.372 0.309 20 0 GCADMN O=C(Cn1cnc(-c2nn[n-]n2)n1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000823136401 607222434 /nfs/dbraw/zinc/22/24/34/607222434.db2.gz ZBZBLKMRQMMXEG-UHFFFAOYSA-N 0 1 397.443 0.301 20 0 GCADMN Cc1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)n2)c(O[C@@H]2CCOC2)c1 ZINC000822237142 607223307 /nfs/dbraw/zinc/22/33/07/607223307.db2.gz HIQOQTFOCVFNOM-CYBMUJFWSA-N 0 1 384.400 0.251 20 0 GCADMN CC(C)Oc1cc(CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)C2CC2)ccn1 ZINC000824314805 607778330 /nfs/dbraw/zinc/77/83/30/607778330.db2.gz GXIMNGJEKYPXNK-UHFFFAOYSA-N 0 1 383.416 0.832 20 0 GCADMN CC(C)Oc1cc(CN(C(=O)Cn2cnc(-c3nn[nH]n3)n2)C2CC2)ccn1 ZINC000824314805 607778331 /nfs/dbraw/zinc/77/83/31/607778331.db2.gz GXIMNGJEKYPXNK-UHFFFAOYSA-N 0 1 383.416 0.832 20 0 GCADMN C[C@H](O)C[C@@H]1CCCN1CN1CC(=O)N(Cc2ccccc2-c2nn[nH]n2)C1=O ZINC000824699300 607784554 /nfs/dbraw/zinc/78/45/54/607784554.db2.gz RHOYOGXMOABWBJ-ZFWWWQNUSA-N 0 1 399.455 0.824 20 0 GCADMN C[C@@H](O)C[C@@H]1CCCN1CN1CC(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000824698799 607784688 /nfs/dbraw/zinc/78/46/88/607784688.db2.gz OJQDEXFCSRWPKJ-CJNGLKHVSA-N 0 1 399.455 0.824 20 0 GCADMN C[C@@H]1C[C@H](CCNC(=O)Cn2cnc(-c3nnn[n-]3)n2)C[N@H+]1Cc1ccccc1 ZINC000824874690 607802979 /nfs/dbraw/zinc/80/29/79/607802979.db2.gz FWFGDRZHVMCBGN-ZBFHGGJFSA-N 0 1 395.471 0.875 20 0 GCADMN C[C@@H]1C[C@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[N@@H+]1Cc1ccccc1 ZINC000824874690 607802980 /nfs/dbraw/zinc/80/29/80/607802980.db2.gz FWFGDRZHVMCBGN-ZBFHGGJFSA-N 0 1 395.471 0.875 20 0 GCADMN C[C@@H]1C[C@H](CCNC(=O)Cn2cnc(-c3nn[n-]n3)n2)C[N@H+]1Cc1ccccc1 ZINC000824874690 607802981 /nfs/dbraw/zinc/80/29/81/607802981.db2.gz FWFGDRZHVMCBGN-ZBFHGGJFSA-N 0 1 395.471 0.875 20 0 GCADMN Cn1cnnc1-c1cncc(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826365446 607816612 /nfs/dbraw/zinc/81/66/12/607816612.db2.gz OMXAOPLSJBWTAN-UHFFFAOYSA-N 0 1 383.397 0.858 20 0 GCADMN Cn1c(=O)c(-c2nnn[n-]2)c(NC(C)(C)C[N@@H+](C)Cc2ccccc2)n(C)c1=O ZINC000825980729 607820747 /nfs/dbraw/zinc/82/07/47/607820747.db2.gz ICRFWGKVMRQQGK-UHFFFAOYSA-N 0 1 398.471 0.587 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(NC(C)(C)C[N@H+](C)Cc2ccccc2)n(C)c1=O ZINC000825980729 607820748 /nfs/dbraw/zinc/82/07/48/607820748.db2.gz ICRFWGKVMRQQGK-UHFFFAOYSA-N 0 1 398.471 0.587 20 0 GCADMN Cn1c(=O)c(-c2nn[n-]n2)c(NC(C)(C)C[N@@H+](C)Cc2ccccc2)n(C)c1=O ZINC000825980729 607820749 /nfs/dbraw/zinc/82/07/49/607820749.db2.gz ICRFWGKVMRQQGK-UHFFFAOYSA-N 0 1 398.471 0.587 20 0 GCADMN CC(=O)N1CC[C@H](CN(C)[C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000823975161 607857916 /nfs/dbraw/zinc/85/79/16/607857916.db2.gz VFOUEOFYDLSGDI-OCCSQVGLSA-N 0 1 389.485 0.834 20 0 GCADMN Cn1c(=O)cccc1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826355369 607931586 /nfs/dbraw/zinc/93/15/86/607931586.db2.gz WOPVKYCVILRNQP-UHFFFAOYSA-N 0 1 393.451 0.914 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)CC(C)(C)C)c1-c1nnn[n-]1 ZINC000826077662 608018706 /nfs/dbraw/zinc/01/87/06/608018706.db2.gz PRRNFMWLNATEJK-UHFFFAOYSA-N 0 1 377.453 0.233 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)CC(C)(C)C)c1-c1nn[n-]n1 ZINC000826077662 608018707 /nfs/dbraw/zinc/01/87/07/608018707.db2.gz PRRNFMWLNATEJK-UHFFFAOYSA-N 0 1 377.453 0.233 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826077505 608018847 /nfs/dbraw/zinc/01/88/47/608018847.db2.gz KNEQHQGPURREAE-UHFFFAOYSA-N 0 1 393.452 0.595 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCNC(=O)OC(C)(C)C)c1-c1nn[n-]n1 ZINC000826077505 608018848 /nfs/dbraw/zinc/01/88/48/608018848.db2.gz KNEQHQGPURREAE-UHFFFAOYSA-N 0 1 393.452 0.595 20 0 GCADMN CCC(=O)N1CCCC[C@@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nnn[n-]1 ZINC000825034544 608019454 /nfs/dbraw/zinc/01/94/54/608019454.db2.gz LDNKGNNBNSUJCX-GFCCVEGCSA-N 0 1 389.464 0.471 20 0 GCADMN CCC(=O)N1CCCC[C@@H]1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[n-]n1 ZINC000825034544 608019455 /nfs/dbraw/zinc/01/94/55/608019455.db2.gz LDNKGNNBNSUJCX-GFCCVEGCSA-N 0 1 389.464 0.471 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)OCCO3)c1-c1nnn[n-]1 ZINC000826077790 608020685 /nfs/dbraw/zinc/02/06/85/608020685.db2.gz WAAOKNRDFDDOGC-UHFFFAOYSA-N 0 1 398.427 0.694 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccc3c(c2)OCCO3)c1-c1nn[n-]n1 ZINC000826077790 608020686 /nfs/dbraw/zinc/02/06/86/608020686.db2.gz WAAOKNRDFDDOGC-UHFFFAOYSA-N 0 1 398.427 0.694 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)c1-c1nnn[n-]1 ZINC000826073460 608021154 /nfs/dbraw/zinc/02/11/54/608021154.db2.gz SQTZWUVIDXHDBD-SECBINFHSA-N 0 1 387.404 0.092 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)c1-c1nn[n-]n1 ZINC000826073460 608021155 /nfs/dbraw/zinc/02/11/55/608021155.db2.gz SQTZWUVIDXHDBD-SECBINFHSA-N 0 1 387.404 0.092 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)c1-c1nnn[n-]1 ZINC000826073551 608021172 /nfs/dbraw/zinc/02/11/72/608021172.db2.gz WUPHCAQKBTUHHT-VIFPVBQESA-N 0 1 386.464 0.834 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)c1-c1nn[n-]n1 ZINC000826073551 608021173 /nfs/dbraw/zinc/02/11/73/608021173.db2.gz WUPHCAQKBTUHHT-VIFPVBQESA-N 0 1 386.464 0.834 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)c1-c1nnn[n-]1 ZINC000826073550 608021222 /nfs/dbraw/zinc/02/12/22/608021222.db2.gz WUPHCAQKBTUHHT-SECBINFHSA-N 0 1 386.464 0.834 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)c1-c1nn[n-]n1 ZINC000826073550 608021223 /nfs/dbraw/zinc/02/12/23/608021223.db2.gz WUPHCAQKBTUHHT-SECBINFHSA-N 0 1 386.464 0.834 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCn2c(C)csc2=O)c1-c1nnn[n-]1 ZINC000826077597 608021315 /nfs/dbraw/zinc/02/13/15/608021315.db2.gz NVPWKRZZKJLGAG-UHFFFAOYSA-N 0 1 391.461 0.302 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCn2c(C)csc2=O)c1-c1nn[n-]n1 ZINC000826077597 608021316 /nfs/dbraw/zinc/02/13/16/608021316.db2.gz NVPWKRZZKJLGAG-UHFFFAOYSA-N 0 1 391.461 0.302 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCn2ccccc2=O)c1-c1nnn[n-]1 ZINC000826077731 608021538 /nfs/dbraw/zinc/02/15/38/608021538.db2.gz SFHORRBEGWNSDH-UHFFFAOYSA-N 0 1 385.432 0.322 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)CCCn2ccccc2=O)c1-c1nn[n-]n1 ZINC000826077731 608021539 /nfs/dbraw/zinc/02/15/39/608021539.db2.gz SFHORRBEGWNSDH-UHFFFAOYSA-N 0 1 385.432 0.322 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cnnc3)cc2)c1-c1nnn[n-]1 ZINC000826083814 608022340 /nfs/dbraw/zinc/02/23/40/608022340.db2.gz RNRRZNLVLQCDAK-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cnnc3)cc2)c1-c1nn[n-]n1 ZINC000826083814 608022341 /nfs/dbraw/zinc/02/23/41/608022341.db2.gz RNRRZNLVLQCDAK-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN CCNc1nc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nnn[n-]2)cs1 ZINC000825481064 608022763 /nfs/dbraw/zinc/02/27/63/608022763.db2.gz TVNGRDDHYHGIPN-UHFFFAOYSA-N 0 1 376.450 0.882 20 0 GCADMN CCNc1nc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2-c2nn[n-]n2)cs1 ZINC000825481064 608022764 /nfs/dbraw/zinc/02/27/64/608022764.db2.gz TVNGRDDHYHGIPN-UHFFFAOYSA-N 0 1 376.450 0.882 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCn1cnc2ccccc2c1=O ZINC000825934269 608034878 /nfs/dbraw/zinc/03/48/78/608034878.db2.gz LOSYWZONCKYSTB-UHFFFAOYSA-N 0 1 394.443 0.447 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nnn[n-]1)CCn1cnc2ccccc2c1=O ZINC000825934269 608034879 /nfs/dbraw/zinc/03/48/79/608034879.db2.gz LOSYWZONCKYSTB-UHFFFAOYSA-N 0 1 394.443 0.447 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCn1cnc2ccccc2c1=O ZINC000825934269 608034880 /nfs/dbraw/zinc/03/48/80/608034880.db2.gz LOSYWZONCKYSTB-UHFFFAOYSA-N 0 1 394.443 0.447 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)CCn1cnc2ccccc2c1=O ZINC000825934269 608034881 /nfs/dbraw/zinc/03/48/81/608034881.db2.gz LOSYWZONCKYSTB-UHFFFAOYSA-N 0 1 394.443 0.447 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000825934322 608034944 /nfs/dbraw/zinc/03/49/44/608034944.db2.gz MSBHOYBHJCMRBK-CQSZACIVSA-N 0 1 399.434 0.981 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000825934322 608034945 /nfs/dbraw/zinc/03/49/45/608034945.db2.gz MSBHOYBHJCMRBK-CQSZACIVSA-N 0 1 399.434 0.981 20 0 GCADMN Cc1ccccc1OC[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826307300 608035414 /nfs/dbraw/zinc/03/54/14/608035414.db2.gz BUJAHDNWWBZPNO-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccccc1OC[C@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826307300 608035415 /nfs/dbraw/zinc/03/54/15/608035415.db2.gz BUJAHDNWWBZPNO-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccccc1OC[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307300 608035416 /nfs/dbraw/zinc/03/54/16/608035416.db2.gz BUJAHDNWWBZPNO-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccccc1OC[C@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307300 608035417 /nfs/dbraw/zinc/03/54/17/608035417.db2.gz BUJAHDNWWBZPNO-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826307301 608035444 /nfs/dbraw/zinc/03/54/44/608035444.db2.gz BUJAHDNWWBZPNO-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826307301 608035445 /nfs/dbraw/zinc/03/54/45/608035445.db2.gz BUJAHDNWWBZPNO-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307301 608035446 /nfs/dbraw/zinc/03/54/46/608035446.db2.gz BUJAHDNWWBZPNO-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826307301 608035447 /nfs/dbraw/zinc/03/54/47/608035447.db2.gz BUJAHDNWWBZPNO-ZDUSSCGKSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccc(OC[C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826292107 608036598 /nfs/dbraw/zinc/03/65/98/608036598.db2.gz IMRCVBGWODUGIT-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccc(OC[C@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)cc1 ZINC000826292107 608036599 /nfs/dbraw/zinc/03/65/99/608036599.db2.gz IMRCVBGWODUGIT-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccc(OC[C@H](O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826292107 608036600 /nfs/dbraw/zinc/03/66/00/608036600.db2.gz IMRCVBGWODUGIT-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN Cc1ccc(OC[C@H](O)C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)cc1 ZINC000826292107 608036601 /nfs/dbraw/zinc/03/66/01/608036601.db2.gz IMRCVBGWODUGIT-CYBMUJFWSA-N 0 1 386.460 0.785 20 0 GCADMN CN(C)C(=O)c1cccc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825934734 608037182 /nfs/dbraw/zinc/03/71/82/608037182.db2.gz RAJSTMJJXNBDLP-UHFFFAOYSA-N 0 1 383.460 0.938 20 0 GCADMN CN(C)C(=O)c1cccc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nnn[n-]2)c1 ZINC000825934734 608037183 /nfs/dbraw/zinc/03/71/83/608037183.db2.gz RAJSTMJJXNBDLP-UHFFFAOYSA-N 0 1 383.460 0.938 20 0 GCADMN CN(C)C(=O)c1cccc(C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825934734 608037184 /nfs/dbraw/zinc/03/71/84/608037184.db2.gz RAJSTMJJXNBDLP-UHFFFAOYSA-N 0 1 383.460 0.938 20 0 GCADMN CN(C)C(=O)c1cccc(C[N@@H+](C)CCCc2[nH]nc(N)c2-c2nn[n-]n2)c1 ZINC000825934734 608037185 /nfs/dbraw/zinc/03/71/85/608037185.db2.gz RAJSTMJJXNBDLP-UHFFFAOYSA-N 0 1 383.460 0.938 20 0 GCADMN C[C@H]1CN(CC(=O)Nc2c(-c3nn[nH]n3)cnn2-c2ccccc2)CCN1C ZINC000824984532 608042183 /nfs/dbraw/zinc/04/21/83/608042183.db2.gz LBJQIKKZGPBWER-ZDUSSCGKSA-N 0 1 381.444 0.627 20 0 GCADMN Cc1nc(-c2nn[nH]n2)c(N2CCN(C(=O)C[NH+]3CCC4(CC4)CC3)CC2)o1 ZINC000826323207 608042216 /nfs/dbraw/zinc/04/22/16/608042216.db2.gz VCSGWZPEQCIGHX-UHFFFAOYSA-N 0 1 386.460 0.688 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[NH+]3CCC4(CC4)CC3)CC2)o1 ZINC000826323207 608042217 /nfs/dbraw/zinc/04/22/17/608042217.db2.gz VCSGWZPEQCIGHX-UHFFFAOYSA-N 0 1 386.460 0.688 20 0 GCADMN O=C([C@@H]1CCCN1c1ccc(-c2nn[nH]n2)cc1)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000826398813 608074943 /nfs/dbraw/zinc/07/49/43/608074943.db2.gz GUYNMYLKTJBDTH-HIFRSBDPSA-N 0 1 394.443 0.755 20 0 GCADMN CCN1CCN(CC(=O)N2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000825460535 608082456 /nfs/dbraw/zinc/08/24/56/608082456.db2.gz ZUUVJUNDFYLPAZ-QGZVFWFLSA-N 0 1 385.472 0.404 20 0 GCADMN CCN1CCN(CC(=O)N2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000825460534 608082494 /nfs/dbraw/zinc/08/24/94/608082494.db2.gz ZUUVJUNDFYLPAZ-KRWDZBQOSA-N 0 1 385.472 0.404 20 0 GCADMN C[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@@H]1[NH+](C)C ZINC000824984164 608086983 /nfs/dbraw/zinc/08/69/83/608086983.db2.gz HEFPVRUQNMNZGI-BBRMVZONSA-N 0 1 395.471 0.873 20 0 GCADMN C[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@@H]1[NH+](C)C ZINC000824984164 608086984 /nfs/dbraw/zinc/08/69/84/608086984.db2.gz HEFPVRUQNMNZGI-BBRMVZONSA-N 0 1 395.471 0.873 20 0 GCADMN C[C@H]1OCC[C@@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825020481 608114597 /nfs/dbraw/zinc/11/45/97/608114597.db2.gz KDRWROQAUXISOO-PWSUYJOCSA-N 0 1 388.432 0.741 20 0 GCADMN CN(CC(=O)N1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1)[C@H]1CCSC1 ZINC000825892650 608118925 /nfs/dbraw/zinc/11/89/25/608118925.db2.gz RNQVLKMCLSVLBK-AWEZNQCLSA-N 0 1 388.501 0.348 20 0 GCADMN O=C(CN1CCCC[C@H]1[C@H]1CNC(=O)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826478428 608169548 /nfs/dbraw/zinc/16/95/48/608169548.db2.gz BIUSKIWFEGQQNK-PWSUYJOCSA-N 0 1 375.458 0.857 20 0 GCADMN CC(C)(Oc1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nc(SCCO)n[nH]1 ZINC000824172381 608184668 /nfs/dbraw/zinc/18/46/68/608184668.db2.gz MMVVKDQRFNQIDK-UHFFFAOYSA-N 0 1 390.429 0.865 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N2CCC[C@@H](OC(C)=O)C2)cc1-c1nn[nH]n1 ZINC000826229675 608199880 /nfs/dbraw/zinc/19/98/80/608199880.db2.gz MWGLENQKZMKOFK-SECBINFHSA-N 0 1 378.414 0.857 20 0 GCADMN CCNS(=O)(=O)[C@@H]1CCN(CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000825476802 608211522 /nfs/dbraw/zinc/21/15/22/608211522.db2.gz WWRPRPJMAPLJQB-CQSZACIVSA-N 0 1 393.473 0.209 20 0 GCADMN O=C(CNc1ccc(-c2nn[nH]n2)cn1)NCCN1CCc2ccccc2C1 ZINC000826413855 608217407 /nfs/dbraw/zinc/21/74/07/608217407.db2.gz UVMRAEIAOAAFHQ-UHFFFAOYSA-N 0 1 378.440 0.848 20 0 GCADMN COc1ccnc(N2CCN(C(=O)CNc3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000826221316 608223793 /nfs/dbraw/zinc/22/37/93/608223793.db2.gz ZJOKVINOPCIIRP-UHFFFAOYSA-N 0 1 395.427 0.426 20 0 GCADMN Cc1ccc2c(n1)c(=O)c(-c1nn[nH]n1)cn2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000826295267 608230740 /nfs/dbraw/zinc/23/07/40/608230740.db2.gz ZNZZUGUEZUUJCU-OAHLLOKOSA-N 0 1 395.423 0.522 20 0 GCADMN COc1cc(Br)cc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)c1 ZINC000826176969 608250425 /nfs/dbraw/zinc/25/04/25/608250425.db2.gz MBBXYKYYICAZJI-UHFFFAOYSA-N 0 1 379.178 0.868 20 0 GCADMN O=C(CN[C@]1(CO)CCc2ccccc21)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826412203 608254647 /nfs/dbraw/zinc/25/46/47/608254647.db2.gz GGYALFQPLHCNNA-FQEVSTJZSA-N 0 1 378.436 0.907 20 0 GCADMN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000824707348 608336888 /nfs/dbraw/zinc/33/68/88/608336888.db2.gz QSNPOEVVFFEUGX-LLVKDONJSA-N 0 1 377.453 0.157 20 0 GCADMN C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000824707348 608336890 /nfs/dbraw/zinc/33/68/90/608336890.db2.gz QSNPOEVVFFEUGX-LLVKDONJSA-N 0 1 377.453 0.157 20 0 GCADMN CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1 ZINC000825405786 608339993 /nfs/dbraw/zinc/33/99/93/608339993.db2.gz GDOHIDJWSBJGGE-LLVKDONJSA-N 0 1 391.480 0.603 20 0 GCADMN CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000825405786 608339994 /nfs/dbraw/zinc/33/99/94/608339994.db2.gz GDOHIDJWSBJGGE-LLVKDONJSA-N 0 1 391.480 0.603 20 0 GCADMN C[C@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)[NH+]1CCCC1 ZINC000824419649 608340375 /nfs/dbraw/zinc/34/03/75/608340375.db2.gz BBVOARAPQRAPRQ-LLVKDONJSA-N 0 1 389.464 0.357 20 0 GCADMN CC[N@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000825424766 608353425 /nfs/dbraw/zinc/35/34/25/608353425.db2.gz PYWPXCZUJCBPKZ-UHFFFAOYSA-N 0 1 389.464 0.357 20 0 GCADMN CC[N@@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000825424766 608353427 /nfs/dbraw/zinc/35/34/27/608353427.db2.gz PYWPXCZUJCBPKZ-UHFFFAOYSA-N 0 1 389.464 0.357 20 0 GCADMN CC[N@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CC1 ZINC000825424766 608353429 /nfs/dbraw/zinc/35/34/29/608353429.db2.gz PYWPXCZUJCBPKZ-UHFFFAOYSA-N 0 1 389.464 0.357 20 0 GCADMN CC[N@@H+](CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CC1 ZINC000825424766 608353431 /nfs/dbraw/zinc/35/34/31/608353431.db2.gz PYWPXCZUJCBPKZ-UHFFFAOYSA-N 0 1 389.464 0.357 20 0 GCADMN CCc1nc([C@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[nH]n4)c3)CCO2)n[nH]1 ZINC000825740561 608363093 /nfs/dbraw/zinc/36/30/93/608363093.db2.gz VHDXEPCLAXHAOF-GFCCVEGCSA-N 0 1 397.399 0.086 20 0 GCADMN Cc1nc([C@@H]2CN(C(=O)C(=O)Nc3cccc(-c4nn[nH]n4)c3C)CCO2)n[nH]1 ZINC000826322612 608363349 /nfs/dbraw/zinc/36/33/49/608363349.db2.gz UJMHFYQEHYBBFD-ZDUSSCGKSA-N 0 1 397.399 0.140 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](C)C3)CC2)o1 ZINC000826323157 608378350 /nfs/dbraw/zinc/37/83/50/608378350.db2.gz SKGAAZSGSKXMEM-QWHCGFSZSA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H](C)C3)CC2)o1 ZINC000826323157 608378356 /nfs/dbraw/zinc/37/83/56/608378356.db2.gz SKGAAZSGSKXMEM-QWHCGFSZSA-N 0 1 388.476 0.790 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](C)C3)CC2)o1 ZINC000826323157 608378358 /nfs/dbraw/zinc/37/83/58/608378358.db2.gz SKGAAZSGSKXMEM-QWHCGFSZSA-N 0 1 388.476 0.790 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2cc(-c3nn[nH]n3)ccc2C)C[C@H]1N(C)C ZINC000826226509 608443450 /nfs/dbraw/zinc/44/34/50/608443450.db2.gz AXZDKWOLSFYZOF-OLZOCXBDSA-N 0 1 382.515 0.841 20 0 GCADMN CS[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C[C@@H]1N(C)C ZINC000826227667 608443671 /nfs/dbraw/zinc/44/36/71/608443671.db2.gz VGYHRHSIOKWMJT-STQMWFEESA-N 0 1 382.515 0.841 20 0 GCADMN Cn1c(CN2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc(=O)n(C)c1=O ZINC000826355204 608460243 /nfs/dbraw/zinc/46/02/43/608460243.db2.gz OQZYDVRQXKVJDJ-UHFFFAOYSA-N 0 1 379.424 0.553 20 0 GCADMN C[C@H](NCC(=O)N1CCN(C(=O)C2CC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824553872 608463740 /nfs/dbraw/zinc/46/37/40/608463740.db2.gz JONUODVEIYJAAW-ZDUSSCGKSA-N 0 1 383.456 0.598 20 0 GCADMN CCn1c(N)c(C(=O)CN[C@H](C)c2cccc(-c3nn[nH]n3)c2)c(=O)[nH]c1=O 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DTNDSELOZMGQSF-DOMZBBRYSA-N 0 1 375.502 0.913 20 0 GCADMN CC(=O)N1CCN([C@H]2C[N@@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2C)CC1 ZINC000823980511 608746481 /nfs/dbraw/zinc/74/64/81/608746481.db2.gz DTNDSELOZMGQSF-DOMZBBRYSA-N 0 1 375.502 0.913 20 0 GCADMN CC(=O)N1CCN([C@H]2C[N@H+](Cc3ccc(-c4nn[n-]n4)s3)C[C@H]2C)CC1 ZINC000823980511 608746482 /nfs/dbraw/zinc/74/64/82/608746482.db2.gz DTNDSELOZMGQSF-DOMZBBRYSA-N 0 1 375.502 0.913 20 0 GCADMN C[C@@H](NCCS(=O)(=O)N1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824600186 609150992 /nfs/dbraw/zinc/15/09/92/609150992.db2.gz XNXQFJRCWCGBCG-LLVKDONJSA-N 0 1 384.437 0.318 20 0 GCADMN COCCN1CC[C@H](NC(=O)c2cc(C)n(-c3cccc(-c4nn[nH]n4)c3)n2)C1 ZINC000826159903 609153055 /nfs/dbraw/zinc/15/30/55/609153055.db2.gz XHPMCMNNBNPWBX-HNNXBMFYSA-N 0 1 396.455 0.811 20 0 GCADMN Cc1cc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)[nH]n1 ZINC000826266319 609178455 /nfs/dbraw/zinc/17/84/55/609178455.db2.gz LATFZVVBPKIXMK-OAHLLOKOSA-N 0 1 380.412 0.753 20 0 GCADMN 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C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2nccnc2-c2nn[n-]n2)C1 ZINC001571265221 945503411 /nfs/dbraw/zinc/50/34/11/945503411.db2.gz CUARTVFKTPQFIG-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265263 945504037 /nfs/dbraw/zinc/50/40/37/945504037.db2.gz FABPFFCKIBPYDX-HIFRSBDPSA-N 0 1 385.476 0.616 20 0 GCADMN CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265263 945504044 /nfs/dbraw/zinc/50/40/44/945504044.db2.gz FABPFFCKIBPYDX-HIFRSBDPSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[n-]n2)n1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001571265231 945505044 /nfs/dbraw/zinc/50/50/44/945505044.db2.gz DAKRSVGRUZQVOA-KGLIPLIRSA-N 0 1 385.476 0.213 20 0 GCADMN CC[C@@H]1[C@@H](C(=O)N2CCC(Nc3cnc(-c4nnn[n-]4)cn3)CC2)CC[N@@H+]1C ZINC001571265236 945505089 /nfs/dbraw/zinc/50/50/89/945505089.db2.gz DBZQKVWYYORHJH-DZGCQCFKSA-N 0 1 385.476 0.790 20 0 GCADMN 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CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC(Nc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001571265283 945507207 /nfs/dbraw/zinc/50/72/07/945507207.db2.gz FXJUFNZAXWAPAS-UHFFFAOYSA-N 0 1 385.476 0.932 20 0 GCADMN O=C(c1ccncc1Cl)N1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571265346 945507397 /nfs/dbraw/zinc/50/73/97/945507397.db2.gz HUAHENFNFAVRJA-SNVBAGLBSA-N 0 1 385.819 0.844 20 0 GCADMN CN(C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccnc(-c2nnn[n-]2)n1 ZINC001571265295 945508071 /nfs/dbraw/zinc/50/80/71/945508071.db2.gz GAWWKCQKRZLAGW-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571265295 945508074 /nfs/dbraw/zinc/50/80/74/945508074.db2.gz GAWWKCQKRZLAGW-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571265295 945508079 /nfs/dbraw/zinc/50/80/79/945508079.db2.gz GAWWKCQKRZLAGW-KGLIPLIRSA-N 0 1 385.476 0.426 20 0 GCADMN C[NH+]1CCC(CC(=O)N[C@H]2CCCN(c3cnc(-c4nnn[n-]4)cn3)C2)CC1 ZINC001571265499 945511563 /nfs/dbraw/zinc/51/15/63/945511563.db2.gz KZTHJEGJIKVFBC-AWEZNQCLSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(CC(=O)N[C@H]2CCCN(c3cnc(-c4nn[n-]n4)cn3)C2)CC1 ZINC001571265499 945511572 /nfs/dbraw/zinc/51/15/72/945511572.db2.gz KZTHJEGJIKVFBC-AWEZNQCLSA-N 0 1 385.476 0.474 20 0 GCADMN C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265459 945511892 /nfs/dbraw/zinc/51/18/92/945511892.db2.gz KLNPIZBAKMEYJY-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571265459 945511898 /nfs/dbraw/zinc/51/18/98/945511898.db2.gz KLNPIZBAKMEYJY-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H](Nc2nccnc2-c2nnn[n-]2)C1)[NH+]1CCCC1 ZINC001571265440 945512093 /nfs/dbraw/zinc/51/20/93/945512093.db2.gz GTMJLQGXISMXEF-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CCC[C@H](Nc2nccnc2-c2nn[n-]n2)C1)[NH+]1CCCC1 ZINC001571265440 945512099 /nfs/dbraw/zinc/51/20/99/945512099.db2.gz GTMJLQGXISMXEF-ZDUSSCGKSA-N 0 1 385.476 0.934 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571265529 945513632 /nfs/dbraw/zinc/51/36/32/945513632.db2.gz HWFFXKMHNIFBDZ-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265529 945513635 /nfs/dbraw/zinc/51/36/35/945513635.db2.gz HWFFXKMHNIFBDZ-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571265529 945513637 /nfs/dbraw/zinc/51/36/37/945513637.db2.gz HWFFXKMHNIFBDZ-IHRRRGAJSA-N 0 1 385.476 0.260 20 0 GCADMN CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCC(Nc2ccnc(-c3nnn[n-]3)n2)CC1 ZINC001571265581 945514887 /nfs/dbraw/zinc/51/48/87/945514887.db2.gz ISEXDFDWMNVZFQ-HSBZDZAISA-N 0 1 385.476 0.212 20 0 GCADMN CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265581 945514893 /nfs/dbraw/zinc/51/48/93/945514893.db2.gz ISEXDFDWMNVZFQ-HSBZDZAISA-N 0 1 385.476 0.212 20 0 GCADMN CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCC(Nc2ccnc(-c3nn[n-]n3)n2)CC1 ZINC001571265581 945514900 /nfs/dbraw/zinc/51/49/00/945514900.db2.gz ISEXDFDWMNVZFQ-HSBZDZAISA-N 0 1 385.476 0.212 20 0 GCADMN C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001571265747 945519053 /nfs/dbraw/zinc/51/90/53/945519053.db2.gz JMLQZLDNPOOFNP-STQMWFEESA-N 0 1 385.476 0.932 20 0 GCADMN C[C@H]1C[C@@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001571265747 945519060 /nfs/dbraw/zinc/51/90/60/945519060.db2.gz JMLQZLDNPOOFNP-STQMWFEESA-N 0 1 385.476 0.932 20 0 GCADMN CN(C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1cncc(-c2nnn[n-]2)n1 ZINC001571265786 945520512 /nfs/dbraw/zinc/52/05/12/945520512.db2.gz KFNBTRYKEAARSV-ZDUSSCGKSA-N 0 1 385.476 0.568 20 0 GCADMN CN(C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1)c1cncc(-c2nn[n-]n2)n1 ZINC001571265786 945520518 /nfs/dbraw/zinc/52/05/18/945520518.db2.gz KFNBTRYKEAARSV-ZDUSSCGKSA-N 0 1 385.476 0.568 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nn[nH]n4)cn3)C2)C1 ZINC001571265802 945521694 /nfs/dbraw/zinc/52/16/94/945521694.db2.gz KQVNLVWKTRAQRO-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265802 945521708 /nfs/dbraw/zinc/52/17/08/945521708.db2.gz KQVNLVWKTRAQRO-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3cnc(-c4nn[n-]n4)cn3)C2)C1 ZINC001571265802 945521723 /nfs/dbraw/zinc/52/17/23/945521723.db2.gz KQVNLVWKTRAQRO-KBPBESRZSA-N 0 1 385.476 0.649 20 0 GCADMN C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571265810 945521814 /nfs/dbraw/zinc/52/18/14/945521814.db2.gz PIQLBGBKDWFGGH-IHRRRGAJSA-N 0 1 385.476 0.838 20 0 GCADMN C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](CNc2nccnc2-c2nn[n-]n2)CC1 ZINC001571265810 945521818 /nfs/dbraw/zinc/52/18/18/945521818.db2.gz PIQLBGBKDWFGGH-IHRRRGAJSA-N 0 1 385.476 0.838 20 0 GCADMN CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1ccc(-c2nn[n-]n2)nn1)[NH+](C)C ZINC001571265907 945522908 /nfs/dbraw/zinc/52/29/08/945522908.db2.gz KRZGKAPLUXPIDV-KFWWJZLASA-N 0 1 385.476 0.567 20 0 GCADMN C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265893 945523359 /nfs/dbraw/zinc/52/33/59/945523359.db2.gz SDTLILRCNNJPSA-DOMZBBRYSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCN(c2cncc(-c3nn[n-]n3)n2)CC1 ZINC001571265893 945523373 /nfs/dbraw/zinc/52/33/73/945523373.db2.gz SDTLILRCNNJPSA-DOMZBBRYSA-N 0 1 385.476 0.472 20 0 GCADMN CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCN(c2nccnc2-c2nnn[n-]2)C1 ZINC001571265921 945526061 /nfs/dbraw/zinc/52/60/61/945526061.db2.gz KXKHHOWWJRHJGD-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CCN(c2nccnc2-c2nn[n-]n2)C1 ZINC001571265921 945526068 /nfs/dbraw/zinc/52/60/68/945526068.db2.gz KXKHHOWWJRHJGD-CQSZACIVSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571265928 945526127 /nfs/dbraw/zinc/52/61/27/945526127.db2.gz LBOKRUVRCVZBHS-AAVRWANBSA-N 0 1 385.476 0.836 20 0 GCADMN C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571265928 945526131 /nfs/dbraw/zinc/52/61/31/945526131.db2.gz LBOKRUVRCVZBHS-AAVRWANBSA-N 0 1 385.476 0.836 20 0 GCADMN CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265987 945526749 /nfs/dbraw/zinc/52/67/49/945526749.db2.gz MIJHVVGDMQVITI-MELADBBJSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001571265987 945526761 /nfs/dbraw/zinc/52/67/61/945526761.db2.gz MIJHVVGDMQVITI-MELADBBJSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265987 945526773 /nfs/dbraw/zinc/52/67/73/945526773.db2.gz MIJHVVGDMQVITI-MELADBBJSA-N 0 1 385.476 0.838 20 0 GCADMN CCC[N@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H](Nc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001571265987 945526782 /nfs/dbraw/zinc/52/67/82/945526782.db2.gz MIJHVVGDMQVITI-MELADBBJSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001571265963 945527102 /nfs/dbraw/zinc/52/71/02/945527102.db2.gz LTMYWPZQYDQQDW-TZMCWYRMSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001571265963 945527107 /nfs/dbraw/zinc/52/71/07/945527107.db2.gz LTMYWPZQYDQQDW-TZMCWYRMSA-N 0 1 385.476 0.472 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC[N@@H+]1C ZINC001571266168 945533394 /nfs/dbraw/zinc/53/33/94/945533394.db2.gz XLAAACKICNCZLG-IHRRRGAJSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nnn[n-]4)nn3)C2)CC[N@H+]1C ZINC001571266168 945533397 /nfs/dbraw/zinc/53/33/97/945533397.db2.gz XLAAACKICNCZLG-IHRRRGAJSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC[N@@H+]1C ZINC001571266168 945533400 /nfs/dbraw/zinc/53/34/00/945533400.db2.gz XLAAACKICNCZLG-IHRRRGAJSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1C[C@@H](C(=O)N2CCC[C@H](Nc3ccc(-c4nn[n-]n4)nn3)C2)CC[N@H+]1C ZINC001571266168 945533404 /nfs/dbraw/zinc/53/34/04/945533404.db2.gz XLAAACKICNCZLG-IHRRRGAJSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266189 945534919 /nfs/dbraw/zinc/53/49/19/945534919.db2.gz NFECBUYANTWWFP-ZFWWWQNUSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001571266189 945534928 /nfs/dbraw/zinc/53/49/28/945534928.db2.gz NFECBUYANTWWFP-ZFWWWQNUSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266189 945534932 /nfs/dbraw/zinc/53/49/32/945534932.db2.gz NFECBUYANTWWFP-ZFWWWQNUSA-N 0 1 385.476 0.790 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001571266189 945534936 /nfs/dbraw/zinc/53/49/36/945534936.db2.gz NFECBUYANTWWFP-ZFWWWQNUSA-N 0 1 385.476 0.790 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571266263 945535450 /nfs/dbraw/zinc/53/54/50/945535450.db2.gz YOTFODKAYYQSSO-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CCNc2nccnc2-c2nn[n-]n2)C1 ZINC001571266263 945535463 /nfs/dbraw/zinc/53/54/63/945535463.db2.gz YOTFODKAYYQSSO-UONOGXRCSA-N 0 1 385.476 0.792 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571266294 945535539 /nfs/dbraw/zinc/53/55/39/945535539.db2.gz OVSQRBGWCJOSCI-MCIONIFRSA-N 0 1 385.476 0.470 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC001571266294 945535542 /nfs/dbraw/zinc/53/55/42/945535542.db2.gz OVSQRBGWCJOSCI-MCIONIFRSA-N 0 1 385.476 0.470 20 0 GCADMN CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571266294 945535552 /nfs/dbraw/zinc/53/55/52/945535552.db2.gz OVSQRBGWCJOSCI-MCIONIFRSA-N 0 1 385.476 0.470 20 0 GCADMN CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC001571266294 945535560 /nfs/dbraw/zinc/53/55/60/945535560.db2.gz OVSQRBGWCJOSCI-MCIONIFRSA-N 0 1 385.476 0.470 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)n1 ZINC001571266245 945535944 /nfs/dbraw/zinc/53/59/44/945535944.db2.gz YJGMEJANFLBDNV-DZGCQCFKSA-N 0 1 385.476 0.852 20 0 GCADMN Cc1cc(-c2nn[n-]n2)nc(NC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001571266245 945535954 /nfs/dbraw/zinc/53/59/54/945535954.db2.gz YJGMEJANFLBDNV-DZGCQCFKSA-N 0 1 385.476 0.852 20 0 GCADMN C[NH+]1CCC(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nnn[n-]2)CC1 ZINC001571266270 945536198 /nfs/dbraw/zinc/53/61/98/945536198.db2.gz OOSZVOIVNZMFEZ-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN C[NH+]1CCC(C(=O)NC[C@H]2CCCCN2c2nccnc2-c2nn[n-]n2)CC1 ZINC001571266270 945536209 /nfs/dbraw/zinc/53/62/09/945536209.db2.gz OOSZVOIVNZMFEZ-CQSZACIVSA-N 0 1 385.476 0.474 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)c3ccnc(-c4nnn[n-]4)n3)C2)CC[N@H+]1C ZINC001571266253 945537288 /nfs/dbraw/zinc/53/72/88/945537288.db2.gz YLAHOISXUGLYLT-MGPQQGTHSA-N 0 1 385.476 0.282 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)CC[N@@H+]1C ZINC001571266253 945537293 /nfs/dbraw/zinc/53/72/93/945537293.db2.gz YLAHOISXUGLYLT-MGPQQGTHSA-N 0 1 385.476 0.282 20 0 GCADMN C[C@@H]1[C@H](C(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)CC[N@H+]1C ZINC001571266253 945537296 /nfs/dbraw/zinc/53/72/96/945537296.db2.gz YLAHOISXUGLYLT-MGPQQGTHSA-N 0 1 385.476 0.282 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001571266397 945538618 /nfs/dbraw/zinc/53/86/18/945538618.db2.gz PUWFUHWCNRFLPC-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266397 945538622 /nfs/dbraw/zinc/53/86/22/945538622.db2.gz PUWFUHWCNRFLPC-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266397 945538626 /nfs/dbraw/zinc/53/86/26/945538626.db2.gz PUWFUHWCNRFLPC-ZIAGYGMSSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccnc(-c4nnn[n-]4)n3)C2)C1 ZINC001571266396 945538667 /nfs/dbraw/zinc/53/86/67/945538667.db2.gz PUWFUHWCNRFLPC-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266396 945538670 /nfs/dbraw/zinc/53/86/70/945538670.db2.gz PUWFUHWCNRFLPC-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3ccnc(-c4nn[n-]n4)n3)C2)C1 ZINC001571266396 945538673 /nfs/dbraw/zinc/53/86/73/945538673.db2.gz PUWFUHWCNRFLPC-UONOGXRCSA-N 0 1 385.476 0.283 20 0 GCADMN CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571266359 945539846 /nfs/dbraw/zinc/53/98/46/945539846.db2.gz PDSRQSKSJDFZEN-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266359 945539851 /nfs/dbraw/zinc/53/98/51/945539851.db2.gz PDSRQSKSJDFZEN-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571266359 945539857 /nfs/dbraw/zinc/53/98/57/945539857.db2.gz PDSRQSKSJDFZEN-MGPQQGTHSA-N 0 1 385.476 0.260 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nnn[n-]3)n2)C1)[NH+]1CCCCC1 ZINC001571266456 945540762 /nfs/dbraw/zinc/54/07/62/945540762.db2.gz QXFUMXSPWBRCIR-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2cncc(-c3nn[n-]n3)n2)C1)[NH+]1CCCCC1 ZINC001571266456 945540767 /nfs/dbraw/zinc/54/07/67/945540767.db2.gz QXFUMXSPWBRCIR-CYBMUJFWSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571266400 945541063 /nfs/dbraw/zinc/54/10/63/945541063.db2.gz 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ZINC001573419760 948127684 /nfs/dbraw/zinc/12/76/84/948127684.db2.gz RGOJPAVDGCNIQU-GOSISDBHSA-N 0 1 384.444 0.133 20 0 GCADMN CC(=O)N1CC(C(=O)NC[C@@H](C)NCc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573419829 948129126 /nfs/dbraw/zinc/12/91/26/948129126.db2.gz TWQBRXZGVROVPI-SNVBAGLBSA-N 0 1 375.408 0.078 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@@H](C)C[C@@H](C)Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001573419830 948129431 /nfs/dbraw/zinc/12/94/31/948129431.db2.gz TYROTJUTFSUZBJ-NEPJUHHUSA-N 0 1 386.460 0.166 20 0 GCADMN CC(=O)N1CC(C(=O)N[C@H]2CCCN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C2)C1 ZINC001573420227 948134236 /nfs/dbraw/zinc/13/42/36/948134236.db2.gz ZMYCNRZGEDZMDK-AWEZNQCLSA-N 0 1 384.444 0.133 20 0 GCADMN C[C@H](C(=O)NCC(=O)c1ccc(Cl)cc1F)n1cnc(-c2nn[nH]n2)n1 ZINC001573677776 948141194 /nfs/dbraw/zinc/14/11/94/948141194.db2.gz DXMQMMWYROHLKT-SSDOTTSWSA-N 0 1 378.755 0.811 20 0 GCADMN CC(=O)N1CC(C(=O)NCCN(Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)C1 ZINC001573423916 948145139 /nfs/dbraw/zinc/14/51/39/948145139.db2.gz REABHKMGIQHDOS-UHFFFAOYSA-N 0 1 383.456 0.426 20 0 GCADMN CC(=O)N1CCC(C(=O)N(C)CCNc2cc(C)[nH+]cc2-c2nnn[n-]2)CC1 ZINC001573430091 948175086 /nfs/dbraw/zinc/17/50/86/948175086.db2.gz NLDZIOWDIXFGDJ-UHFFFAOYSA-N 0 1 386.460 0.121 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)N[C@H](C)CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001573434321 948213210 /nfs/dbraw/zinc/21/32/10/948213210.db2.gz QHUJGWAKDWQVTO-XIKOKIGWSA-N 0 1 386.460 0.461 20 0 GCADMN CC(=O)N1CC[C@](C)(C(=O)NCCN(C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573434668 948216839 /nfs/dbraw/zinc/21/68/39/948216839.db2.gz SEVOPXNZQXOWPO-IBGZPJMESA-N 0 1 385.472 0.673 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)C(F)(F)F ZINC001573689937 948220760 /nfs/dbraw/zinc/22/07/60/948220760.db2.gz ASBMGBBSYYUHJZ-YUMQZZPRSA-N 0 1 378.380 0.693 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)C(F)(F)F ZINC001573689937 948220768 /nfs/dbraw/zinc/22/07/68/948220768.db2.gz ASBMGBBSYYUHJZ-YUMQZZPRSA-N 0 1 378.380 0.693 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)CNCc1ccc(-c2nn[nH]n2)cc1F)n1cccc1 ZINC001573691159 948236877 /nfs/dbraw/zinc/23/68/77/948236877.db2.gz HZFYPYPWBCVFJF-IUODEOHRSA-N 0 1 387.419 0.635 20 0 GCADMN C[C@H](C(=O)NC[C@@H](O)CNc1ccncc1-c1nn[nH]n1)c1cccc(F)c1 ZINC001573691930 948249319 /nfs/dbraw/zinc/24/93/19/948249319.db2.gz LFRSOKRBYUPKCO-FZMZJTMJSA-N 0 1 385.403 0.515 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573691909 948250129 /nfs/dbraw/zinc/25/01/29/948250129.db2.gz LBBJXYLSNDIKEY-CMPLNLGQSA-N 0 1 390.473 0.032 20 0 GCADMN C[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573691909 948250138 /nfs/dbraw/zinc/25/01/38/948250138.db2.gz LBBJXYLSNDIKEY-CMPLNLGQSA-N 0 1 390.473 0.032 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1cnn(C)c1 ZINC001573691913 948250646 /nfs/dbraw/zinc/25/06/46/948250646.db2.gz LBBJXYLSNDIKEY-PWSUYJOCSA-N 0 1 390.473 0.032 20 0 GCADMN C[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)c1cnn(C)c1 ZINC001573691913 948250651 /nfs/dbraw/zinc/25/06/51/948250651.db2.gz LBBJXYLSNDIKEY-PWSUYJOCSA-N 0 1 390.473 0.032 20 0 GCADMN C[C@@H](C(=O)NCC1(Nc2ccncc2-c2nn[nH]n2)CCCC1)n1cncn1 ZINC001573692292 948260058 /nfs/dbraw/zinc/26/00/58/948260058.db2.gz NUCRHKHPBFTFEY-LBPRGKRZSA-N 0 1 382.432 0.377 20 0 GCADMN CC(=O)N1CCC[C@H](C(=O)N(C)[C@H](C)CNc2ccncc2-c2nn[nH]n2)C1 ZINC001573440082 948260695 /nfs/dbraw/zinc/26/06/95/948260695.db2.gz ZJCNYDXGSABPDA-OCCSQVGLSA-N 0 1 386.460 0.201 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001573440842 948261743 /nfs/dbraw/zinc/26/17/43/948261743.db2.gz AAWMBQJGAUHKHT-BXUZGUMPSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001573440842 948261752 /nfs/dbraw/zinc/26/17/52/948261752.db2.gz AAWMBQJGAUHKHT-BXUZGUMPSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCCC[C@H]1CNC(=O)CCNc1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001573442304 948290566 /nfs/dbraw/zinc/29/05/66/948290566.db2.gz VGCONAYDKWZBGX-AWEZNQCLSA-N 0 1 386.460 0.311 20 0 GCADMN C[C@H](C(=O)NC[C@@]1(C)CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCC1 ZINC001573694443 948293550 /nfs/dbraw/zinc/29/35/50/948293550.db2.gz VQBBXZOTSTWXOC-SGTLLEGYSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NCC1(C)CCC2(CC1)OCCO2)n1cnc(-c2nn[nH]n2)n1 ZINC001573694416 948294629 /nfs/dbraw/zinc/29/46/29/948294629.db2.gz VJDGMBDLXTYPJK-NSHDSACASA-N 0 1 376.421 0.459 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)C(C)(F)F ZINC001573695891 948311687 /nfs/dbraw/zinc/31/16/87/948311687.db2.gz JFJFMXRNCKAAMO-XWLWVQCSSA-N 0 1 378.387 0.746 20 0 GCADMN CC(=O)NCC[N@H+](CCCON1C(=O)c2ccccc2C1=O)[C@H](C)C(=O)[O-] ZINC001602757166 971470444 /nfs/dbraw/zinc/47/04/44/971470444.db2.gz CXCUWEDUMBKXEN-GFCCVEGCSA-N 0 1 377.397 0.516 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]21)c1cccnc1 ZINC001573696186 948318830 /nfs/dbraw/zinc/31/88/30/948318830.db2.gz LVFUVFKLOBUVKG-NGFQHRJXSA-N 0 1 391.439 0.654 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001573446420 948329896 /nfs/dbraw/zinc/32/98/96/948329896.db2.gz FHYWFYNIIXQKEN-CZUORRHYSA-N 0 1 384.444 0.097 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573446730 948336067 /nfs/dbraw/zinc/33/60/67/948336067.db2.gz OOUYUWALIGCXNG-BXUZGUMPSA-N 0 1 391.501 0.876 20 0 GCADMN CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001573446730 948336081 /nfs/dbraw/zinc/33/60/81/948336081.db2.gz OOUYUWALIGCXNG-BXUZGUMPSA-N 0 1 391.501 0.876 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1)n1cccn1 ZINC001573702016 948342418 /nfs/dbraw/zinc/34/24/18/948342418.db2.gz CNDZPCUQFWTMTM-OLZOCXBDSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573704089 948363382 /nfs/dbraw/zinc/36/33/82/948363382.db2.gz OVMAULRVFSKQPH-OLZOCXBDSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001573704789 948383163 /nfs/dbraw/zinc/38/31/63/948383163.db2.gz DRDZOUZVTKWRNE-STQMWFEESA-N 0 1 381.444 0.741 20 0 GCADMN O=C1CC2(CN1)CCN([C@H]1CCCN(c3ccc(-c4nn[nH]n4)cc3)C1=O)CC2 ZINC000826479383 948390318 /nfs/dbraw/zinc/39/03/18/948390318.db2.gz XOAORRNTFXGFQO-INIZCTEOSA-N 0 1 395.467 0.964 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1)C1CCC1 ZINC001573705062 948391469 /nfs/dbraw/zinc/39/14/69/948391469.db2.gz COKGEFAYKUXXEP-OCCSQVGLSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@@H](C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)c1cnn(C)c1 ZINC001573705521 948401954 /nfs/dbraw/zinc/40/19/54/948401954.db2.gz FVMVWLRBPBCWCN-CYBMUJFWSA-N 0 1 380.456 0.952 20 0 GCADMN C[C@@H](C(=O)NC[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001573706252 948415361 /nfs/dbraw/zinc/41/53/61/948415361.db2.gz ZRXHQDAUQSYIJM-QWHCGFSZSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)C1CCCC1 ZINC001573706395 948418852 /nfs/dbraw/zinc/41/88/52/948418852.db2.gz IYHHAGLSSCAQTF-GXTWGEPZSA-N 0 1 386.460 0.804 20 0 GCADMN C[C@H](C(=O)NCC1CN(Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCC(=O)N1 ZINC001573706593 948420368 /nfs/dbraw/zinc/42/03/68/948420368.db2.gz JJMYPCQOYQXAEO-LRDDRELGSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@H](C(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCO1)n1cccc1 ZINC001573708101 948442661 /nfs/dbraw/zinc/44/26/61/948442661.db2.gz RPNIOPHGCQSZJY-CHWSQXEVSA-N 0 1 383.416 0.041 20 0 GCADMN C[C@H](C(=O)NC[C@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573708344 948447847 /nfs/dbraw/zinc/44/78/47/948447847.db2.gz UHJVQOBZTWUKOI-CHWSQXEVSA-N 0 1 392.485 0.238 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C1)S(C)(=O)=O ZINC001573708348 948448813 /nfs/dbraw/zinc/44/88/13/948448813.db2.gz UHJVQOBZTWUKOI-STQMWFEESA-N 0 1 392.485 0.238 20 0 GCADMN C[C@H](C(=O)NCCC1(CNc2ccnc(-c3nn[nH]n3)n2)CC1)n1cccn1 ZINC001573708725 948457295 /nfs/dbraw/zinc/45/72/95/948457295.db2.gz XOFYXAHXZXMUDI-GFCCVEGCSA-N 0 1 382.432 0.235 20 0 GCADMN C[C@@H](C(=O)NC[C@@H]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)S(C)(=O)=O ZINC001573708774 948457529 /nfs/dbraw/zinc/45/75/29/948457529.db2.gz XNGWXXLNPSICAT-JSGCOSHPSA-N 0 1 392.485 0.238 20 0 GCADMN C[C@@H](C(=O)NCC[C@H]1CCN(c2ccncc2-c2nn[nH]n2)C1)n1cncn1 ZINC001573714901 948478232 /nfs/dbraw/zinc/47/82/32/948478232.db2.gz KNZVYXUTYNIQMN-STQMWFEESA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)n1cncn1 ZINC001573717081 948504786 /nfs/dbraw/zinc/50/47/86/948504786.db2.gz BLYXBGPNSGGTKR-SSDOTTSWSA-N 0 1 382.841 0.382 20 0 GCADMN C[C@@H](C(=O)NCCN(C)c1nc(-c2nn[nH]n2)c(Cl)s1)n1cncn1 ZINC001573717083 948504985 /nfs/dbraw/zinc/50/49/85/948504985.db2.gz BLYXBGPNSGGTKR-ZETCQYMHSA-N 0 1 382.841 0.382 20 0 GCADMN C[C@H](C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CCC1 ZINC001573721040 948537955 /nfs/dbraw/zinc/53/79/55/948537955.db2.gz VPGNYMHWWZXZPP-ZDUSSCGKSA-N 0 1 385.476 0.331 20 0 GCADMN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)n1cncn1 ZINC001573729569 948569025 /nfs/dbraw/zinc/56/90/25/948569025.db2.gz UUQBAJMVPOPNBH-UTUOFQBUSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)n1cncn1 ZINC001573729569 948569030 /nfs/dbraw/zinc/56/90/30/948569030.db2.gz UUQBAJMVPOPNBH-UTUOFQBUSA-N 0 1 387.473 0.765 20 0 GCADMN C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1)n1cccc1 ZINC001573736227 948613011 /nfs/dbraw/zinc/61/30/11/948613011.db2.gz JLDWULBECFDAEU-BFHYXJOUSA-N 0 1 381.444 0.981 20 0 GCADMN C[C@H](C(=O)N[C@@H]1CN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)n1cccc1 ZINC001573740164 948629008 /nfs/dbraw/zinc/62/90/08/948629008.db2.gz GKMXQYFRJZMAMA-XYPHTWIQSA-N 0 1 381.440 0.591 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cncn1 ZINC001573741854 948657918 /nfs/dbraw/zinc/65/79/18/948657918.db2.gz GDWXTFUVQSDPBL-BBRMVZONSA-N 0 1 381.444 0.800 20 0 GCADMN C[C@H](C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1)n1cncn1 ZINC001573745194 948670600 /nfs/dbraw/zinc/67/06/00/948670600.db2.gz CHZNYXKIMRWYST-JHJVBQTASA-N 0 1 382.432 0.376 20 0 GCADMN C[C@@H](C(=O)N[C@H]1CC[C@H](Nc2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001573745215 948670871 /nfs/dbraw/zinc/67/08/71/948670871.db2.gz CKTLWIMCLDLBOA-IHRRRGAJSA-N 0 1 381.444 0.981 20 0 GCADMN C[C@H](C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573745699 948673369 /nfs/dbraw/zinc/67/33/69/948673369.db2.gz GVEAOANDSNJGHK-BBBLOLIVSA-N 0 1 377.409 0.191 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573745700 948674575 /nfs/dbraw/zinc/67/45/75/948674575.db2.gz GVEAOANDSNJGHK-LPEHRKFASA-N 0 1 377.409 0.191 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)n1cnc(-c2nn[nH]n2)n1 ZINC001573745917 948676196 /nfs/dbraw/zinc/67/61/96/948676196.db2.gz GVEAOANDSNJGHK-GUBZILKMSA-N 0 1 377.409 0.191 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)S(C)(=O)=O ZINC001573747370 948689663 /nfs/dbraw/zinc/68/96/63/948689663.db2.gz NZOQYQRZIPYMKK-LPEHRKFASA-N 0 1 384.487 0.098 20 0 GCADMN C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)S(C)(=O)=O ZINC001573747370 948689665 /nfs/dbraw/zinc/68/96/65/948689665.db2.gz NZOQYQRZIPYMKK-LPEHRKFASA-N 0 1 384.487 0.098 20 0 GCADMN C[C@@H](CNC(=O)CCc1ccc(F)cc1F)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574914626 948750863 /nfs/dbraw/zinc/75/08/63/948750863.db2.gz LNJQZYUJSSMDOH-JTQLQIEISA-N 0 1 388.382 0.906 20 0 GCADMN CC(F)(F)C1(C(=O)NC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C2CC2)CC1 ZINC001575223269 948762048 /nfs/dbraw/zinc/76/20/48/948762048.db2.gz MMJMXZPLHBKKEV-SNVBAGLBSA-N 0 1 378.387 0.821 20 0 GCADMN C[C@H](CNC(=O)CCc1c[nH]nn1)Nc1snc(Cl)c1-c1nn[nH]n1 ZINC001574915832 948771016 /nfs/dbraw/zinc/77/10/16/948771016.db2.gz XQWAAQTVDIZUAV-ZCFIWIBFSA-N 0 1 382.841 0.644 20 0 GCADMN CC(F)(F)C1(C(=O)N2CCC(Nc3ccnc(-c4nn[nH]n4)n3)CC2)CC1 ZINC001575223920 948774417 /nfs/dbraw/zinc/77/44/17/948774417.db2.gz PIKOYNZWZJGVAD-UHFFFAOYSA-N 0 1 378.387 0.917 20 0 GCADMN C[C@@H](CNC(=O)CCc1cn(C)nn1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574916598 948783666 /nfs/dbraw/zinc/78/36/66/948783666.db2.gz FGJFPJAASWHRMQ-NSHDSACASA-N 0 1 387.423 0.361 20 0 GCADMN CC(F)(F)C1(C(=O)N2CC[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CC1 ZINC001575224344 948784947 /nfs/dbraw/zinc/78/49/47/948784947.db2.gz UUARGDAKLPNOIW-JTQLQIEISA-N 0 1 378.387 0.774 20 0 GCADMN CC(C)c1cccc(CN[C@@H](CO)CNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)n1 ZINC001574420207 948793189 /nfs/dbraw/zinc/79/31/89/948793189.db2.gz QFZCQECXBXXJCU-CQSZACIVSA-N 0 1 384.444 0.594 20 0 GCADMN C[C@H](C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1)n1cnc(-c2nn[nH]n2)n1 ZINC001573756043 948794780 /nfs/dbraw/zinc/79/47/80/948794780.db2.gz LMSATYYTEKKPBI-SSDOTTSWSA-N 0 1 380.365 0.201 20 0 GCADMN C[C@@H](CNC(=O)CCc1ccnn1C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574916830 948795638 /nfs/dbraw/zinc/79/56/38/948795638.db2.gz KPHJSVDFRKZLBH-LBPRGKRZSA-N 0 1 386.435 0.966 20 0 GCADMN C[C@@H](CNC(=O)CCc1ccnn1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574917336 948818078 /nfs/dbraw/zinc/81/80/78/948818078.db2.gz WRICRSKMQGOWEM-LBPRGKRZSA-N 0 1 386.435 0.966 20 0 GCADMN CC(F)(F)CC(=O)NC[C@@H]1CN(c2ccnc(-c3nn[nH]n3)n2)CCCO1 ZINC001575229179 948838227 /nfs/dbraw/zinc/83/82/27/948838227.db2.gz DHXFYBJHFWUGBG-SNVBAGLBSA-N 0 1 382.375 0.414 20 0 GCADMN C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574683103 948843104 /nfs/dbraw/zinc/84/31/04/948843104.db2.gz UNNOMQQSAGKPRY-LBPRGKRZSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@@H](CCNc1cncc(-c2nnn[n-]2)n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574683103 948843121 /nfs/dbraw/zinc/84/31/21/948843121.db2.gz UNNOMQQSAGKPRY-LBPRGKRZSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574683103 948843138 /nfs/dbraw/zinc/84/31/38/948843138.db2.gz UNNOMQQSAGKPRY-LBPRGKRZSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@@H](CCNc1cncc(-c2nn[n-]n2)n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574683103 948843164 /nfs/dbraw/zinc/84/31/64/948843164.db2.gz UNNOMQQSAGKPRY-LBPRGKRZSA-N 0 1 375.481 0.941 20 0 GCADMN CC(C)c1ccsc1C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574424126 948846075 /nfs/dbraw/zinc/84/60/75/948846075.db2.gz FTKFWAJJEWNMHM-SNVBAGLBSA-N 0 1 388.457 0.466 20 0 GCADMN C[C@H](CNC(=O)CCCc1cccnc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574918568 948850537 /nfs/dbraw/zinc/85/05/37/948850537.db2.gz NPSBGMMJHULIOM-ZDUSSCGKSA-N 0 1 381.444 0.661 20 0 GCADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)C1=NC(=O)N(C)C1 ZINC001574684074 948855256 /nfs/dbraw/zinc/85/52/56/948855256.db2.gz BCHNSLLVEUTLFG-MRVPVSSYSA-N 0 1 391.823 0.975 20 0 GCADMN C[C@H](CNC(=O)CCCS(C)(=O)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574918772 948858122 /nfs/dbraw/zinc/85/81/22/948858122.db2.gz QAOVARXQVRSIOY-SNVBAGLBSA-N 0 1 386.503 0.347 20 0 GCADMN C[C@H](CNC(=O)CCCS(C)(=O)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574918772 948858137 /nfs/dbraw/zinc/85/81/37/948858137.db2.gz QAOVARXQVRSIOY-SNVBAGLBSA-N 0 1 386.503 0.347 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574684380 948862448 /nfs/dbraw/zinc/86/24/48/948862448.db2.gz DZHWLTQWTMJMHS-RQJHMYQMSA-N 0 1 384.853 0.562 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@@H]1COC(=O)N1 ZINC001574684401 948866131 /nfs/dbraw/zinc/86/61/31/948866131.db2.gz FRQJWYSNINQIIE-RITPCOANSA-N 0 1 386.825 0.392 20 0 GCADMN CC(C)(C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CCOCC1 ZINC001573763156 948867504 /nfs/dbraw/zinc/86/75/04/948867504.db2.gz CBYDTMWAXBFHHG-CYBMUJFWSA-N 0 1 386.460 0.544 20 0 GCADMN CC(C)c1nc(CN(C)[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)n[nH]1 ZINC001574425266 948872158 /nfs/dbraw/zinc/87/21/58/948872158.db2.gz BSEHHVSPTAGBRH-GFCCVEGCSA-N 0 1 384.448 0.783 20 0 GCADMN C[C@@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)c1ncn(C)n1 ZINC001574684541 948872406 /nfs/dbraw/zinc/87/24/06/948872406.db2.gz IAVQEYTWLQXPQU-LURJTMIESA-N 0 1 382.841 0.726 20 0 GCADMN CC(C)c1nc([C@H](CO)NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)cs1 ZINC001574425487 948874230 /nfs/dbraw/zinc/87/42/30/948874230.db2.gz GBEMPWZJETZHSY-IUCAKERBSA-N 0 1 377.434 0.449 20 0 GCADMN CC(C)c1nc([C@@H](CO)NC(=O)[C@@H](C)n2cnc(-c3nn[nH]n3)n2)cs1 ZINC001574425488 948874585 /nfs/dbraw/zinc/87/45/85/948874585.db2.gz GBEMPWZJETZHSY-RKDXNWHRSA-N 0 1 377.434 0.449 20 0 GCADMN C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1Cl)NC(=O)Cc1nnc[nH]1 ZINC001574684662 948877403 /nfs/dbraw/zinc/87/74/03/948877403.db2.gz KGWOGLRWCSTWDC-MRVPVSSYSA-N 0 1 376.812 0.583 20 0 GCADMN CC(C)c1nc(CN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C2CC2)n[nH]1 ZINC001574425712 948880649 /nfs/dbraw/zinc/88/06/49/948880649.db2.gz LYIGUJBACLPZFZ-UHFFFAOYSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1nc(CN2CC([C@@H](C)NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)n[nH]1 ZINC001574426016 948884944 /nfs/dbraw/zinc/88/49/44/948884944.db2.gz PNQSXKVGSMCJRT-SNVBAGLBSA-N 0 1 384.448 0.687 20 0 GCADMN CC(C)c1nc(CN2CC[C@@](C)(NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)n[nH]1 ZINC001574425804 948885188 /nfs/dbraw/zinc/88/51/88/948885188.db2.gz NTHLIEWRIBFBDL-QGZVFWFLSA-N 0 1 384.448 0.831 20 0 GCADMN CC(C)c1nc(CCNS(=O)(=O)c2ccsc2-c2nn[nH]n2)n(C)n1 ZINC001574426883 948893823 /nfs/dbraw/zinc/89/38/23/948893823.db2.gz VKILBTVRFHNUJN-UHFFFAOYSA-N 0 1 382.475 0.701 20 0 GCADMN CC(F)(F)CC(=O)NC[C@H](O)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575234229 948895587 /nfs/dbraw/zinc/89/55/87/948895587.db2.gz QBRVOTWBJOXQMR-YFKPBYRVSA-N 0 1 381.796 0.911 20 0 GCADMN C[C@H](CCNc1nc(-c2nn[nH]n2)c(Cl)s1)NC(=O)[C@H]1C[C@H]1C(N)=O ZINC001574684914 948896191 /nfs/dbraw/zinc/89/61/91/948896191.db2.gz PDVWPFYEADJDSU-QYNIQEEDSA-N 0 1 384.853 0.405 20 0 GCADMN CC(C)c1ncc(C(=O)NC[C@H](O)CNc2ccncc2-c2nn[nH]n2)s1 ZINC001574427367 948903930 /nfs/dbraw/zinc/90/39/30/948903930.db2.gz CYDQWGXLPOYRIM-SNVBAGLBSA-N 0 1 388.457 0.466 20 0 GCADMN CC(C)(C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccnc1 ZINC001573765490 948914231 /nfs/dbraw/zinc/91/42/31/948914231.db2.gz KKIUAZKSTOXMFM-UHFFFAOYSA-N 0 1 379.428 0.678 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)n1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921389 948921696 /nfs/dbraw/zinc/92/16/96/948921696.db2.gz WCQYTABVHRZYIE-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)n1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574921389 948921711 /nfs/dbraw/zinc/92/17/11/948921711.db2.gz WCQYTABVHRZYIE-LLVKDONJSA-N 0 1 389.489 0.626 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574921443 948923464 /nfs/dbraw/zinc/92/34/64/948923464.db2.gz XJVVGLUYUPTUGU-LLVKDONJSA-N 0 1 387.423 0.361 20 0 GCADMN CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1)[NH+]1CCCC1 ZINC001573765792 948925005 /nfs/dbraw/zinc/92/50/05/948925005.db2.gz HHVMUBZBZUTJQB-GJZGRUSLSA-N 0 1 382.472 0.926 20 0 GCADMN C[C@@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574923292 948941527 /nfs/dbraw/zinc/94/15/27/948941527.db2.gz JCUZISYBAHWDPJ-NSHDSACASA-N 0 1 388.457 0.170 20 0 GCADMN C[C@@H](CNC(=O)CCn1cnccc1=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574923292 948941537 /nfs/dbraw/zinc/94/15/37/948941537.db2.gz JCUZISYBAHWDPJ-NSHDSACASA-N 0 1 388.457 0.170 20 0 GCADMN CC(C)(C(=O)N[C@H](CNc1cnc(-c2nn[n-]n2)cn1)C1CC1)[NH+]1CCCC1 ZINC001573771685 948944341 /nfs/dbraw/zinc/94/43/41/948944341.db2.gz KXJCXJWNQWRFQH-CYBMUJFWSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](CNC(=O)CCn1cncn1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923537 948952577 /nfs/dbraw/zinc/95/25/77/948952577.db2.gz PGNCKWYJYCQIEA-GFCCVEGCSA-N 0 1 387.423 0.624 20 0 GCADMN CC(C)[C@@H]1C[C@H]1C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574089491 948955342 /nfs/dbraw/zinc/95/53/42/948955342.db2.gz HUEISKDCXLZJEM-UONOGXRCSA-N 0 1 385.476 0.187 20 0 GCADMN CC(C)c1ncncc1C(=O)NCC[C@H](C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574433387 948957276 /nfs/dbraw/zinc/95/72/76/948957276.db2.gz XPVQILREVYYHNS-NSHDSACASA-N 0 1 382.432 0.613 20 0 GCADMN CC(C)(C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nn2)C1)[NH+]1CCCCC1 ZINC001573772355 948957844 /nfs/dbraw/zinc/95/78/44/948957844.db2.gz APUXTOAYDVKADK-CYBMUJFWSA-N 0 1 385.476 0.616 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1 ZINC001574433467 948958841 /nfs/dbraw/zinc/95/88/41/948958841.db2.gz OKEOAMMFSOPLBQ-LBPRGKRZSA-N 0 1 381.444 0.867 20 0 GCADMN CC(F)(F)CCC(=O)N[C@@H]1CN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O ZINC001575239115 948960620 /nfs/dbraw/zinc/96/06/20/948960620.db2.gz QSKFWCOCXNMXRV-ZIAGYGMSSA-N 0 1 380.399 0.963 20 0 GCADMN CC(F)(F)CCC(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C[C@H]1O ZINC001575239593 948964672 /nfs/dbraw/zinc/96/46/72/948964672.db2.gz UYGSALHLVKMOGB-VHSXEESVSA-N 0 1 382.375 0.148 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574433838 948966822 /nfs/dbraw/zinc/96/68/22/948966822.db2.gz SBEYJKWOYXQCLX-NSHDSACASA-N 0 1 382.432 0.522 20 0 GCADMN CC(C)c1nn(C)cc1C(=O)N(C)CCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574433864 948967740 /nfs/dbraw/zinc/96/77/40/948967740.db2.gz UGEQSDRGZZRFHO-UHFFFAOYSA-N 0 1 384.448 0.722 20 0 GCADMN C[C@@H](CCNc1ncccc1-c1nn[nH]n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001574688809 948971533 /nfs/dbraw/zinc/97/15/33/948971533.db2.gz ZOZUGWSRVWKDNU-KBPBESRZSA-N 0 1 388.476 0.537 20 0 GCADMN C[C@@H](F)CCN1CC(N2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001575241192 948974891 /nfs/dbraw/zinc/97/48/91/948974891.db2.gz CEOARXKFZFSISM-GFCCVEGCSA-N 0 1 376.440 0.385 20 0 GCADMN C[C@@H](CNC(=O)CN1CCCC1=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574926085 948983262 /nfs/dbraw/zinc/98/32/62/948983262.db2.gz IAAKGRIEVIJMEZ-ZETCQYMHSA-N 0 1 384.853 0.516 20 0 GCADMN CC(C)(C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CCOCC1)C1CC1 ZINC001573774052 948995888 /nfs/dbraw/zinc/99/58/88/948995888.db2.gz JIODCJOAOFAEDR-UHFFFAOYSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](CNC(=O)CN1CCCCCC1=O)CNc1ccncc1-c1nn[nH]n1 ZINC001574926375 948998956 /nfs/dbraw/zinc/99/89/56/948998956.db2.gz OSMAMBDANSVHQM-ZDUSSCGKSA-N 0 1 386.460 0.250 20 0 GCADMN CC(C)c1noc(CCC(=O)NCCN(C)c2ccnc(-c3nn[nH]n3)n2)n1 ZINC001574439208 949001525 /nfs/dbraw/zinc/00/15/25/949001525.db2.gz CNBMKXGQACEQEV-UHFFFAOYSA-N 0 1 386.420 0.348 20 0 GCADMN CC(C)(C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)nn1)C1CC1)[NH+]1CCCC1 ZINC001573774265 949006342 /nfs/dbraw/zinc/00/63/42/949006342.db2.gz LBGPXNLLJGFSPH-CQSZACIVSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CNC(=O)CN1CCc2ccccc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574926602 949014150 /nfs/dbraw/zinc/01/41/50/949014150.db2.gz AOOJXCMESGYCOO-LBPRGKRZSA-N 0 1 379.428 0.058 20 0 GCADMN CC(C)c1nnsc1C(=O)N(C)[C@H](C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574440111 949022622 /nfs/dbraw/zinc/02/26/22/949022622.db2.gz NSHLBMVHHYUQFS-SECBINFHSA-N 0 1 388.461 0.626 20 0 GCADMN CC(C)(C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCCO1 ZINC001573774822 949023136 /nfs/dbraw/zinc/02/31/36/949023136.db2.gz WYHIRKJFOXWJAB-WFASDCNBSA-N 0 1 389.460 0.168 20 0 GCADMN C[C@H](F)CCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575245482 949023404 /nfs/dbraw/zinc/02/34/04/949023404.db2.gz CHCANHSICGALMR-YVEFUNNKSA-N 0 1 377.424 0.860 20 0 GCADMN C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574926781 949023796 /nfs/dbraw/zinc/02/37/96/949023796.db2.gz XJGVTIFOWIKAHO-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)N(C)c1cnc(-c2nn[n-]n2)cn1 ZINC001574926781 949023775 /nfs/dbraw/zinc/02/37/75/949023775.db2.gz XJGVTIFOWIKAHO-LBPRGKRZSA-N 0 1 375.481 0.576 20 0 GCADMN C[C@@H](F)CCN1CCO[C@]2(CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)C1 ZINC001575245480 949025643 /nfs/dbraw/zinc/02/56/43/949025643.db2.gz CHCANHSICGALMR-SJKOYZFVSA-N 0 1 377.424 0.860 20 0 GCADMN C[C@@H](CNC(=O)CN1Cc2ccccc2C1=O)Nc1ccncc1-c1nn[nH]n1 ZINC001574927004 949035245 /nfs/dbraw/zinc/03/52/45/949035245.db2.gz FNVRKKQENVAFLX-LBPRGKRZSA-N 0 1 392.423 0.256 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C1CC1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574927215 949041256 /nfs/dbraw/zinc/04/12/56/949041256.db2.gz HLHCPMLARQWNAA-LLVKDONJSA-N 0 1 389.435 0.469 20 0 GCADMN C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1 ZINC001602786478 971535680 /nfs/dbraw/zinc/53/56/80/971535680.db2.gz UABBZGPXYADDLX-KZDUYQQSSA-N 0 1 390.436 0.706 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)C(C)(C)C)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574927938 949055808 /nfs/dbraw/zinc/05/58/08/949055808.db2.gz MOEZMKGKYRMXPC-LLVKDONJSA-N 0 1 391.451 0.762 20 0 GCADMN CC(C)[C@H]1C[C@@H]1C(=O)NC1(CO)CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001574092454 949059423 /nfs/dbraw/zinc/05/94/23/949059423.db2.gz RJHIBQIDZMLMEZ-OLZOCXBDSA-N 0 1 386.460 0.396 20 0 GCADMN CC(C)[C@@H]1C[C@@H](CC(=O)N(C)CCNc2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001574092317 949060339 /nfs/dbraw/zinc/06/03/39/949060339.db2.gz NUBPZQJPHOCWFG-KBPBESRZSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@H](CNC(=O)CNC(=O)c1ccsc1)Nc1ccncc1-c1nn[nH]n1 ZINC001574928980 949073298 /nfs/dbraw/zinc/07/32/98/949073298.db2.gz UXGWQQDFNGOMMG-SNVBAGLBSA-N 0 1 386.441 0.092 20 0 GCADMN C[C@H](CNC(=O)CN1CCc2ccccc21)CNc1ccncc1-c1nn[nH]n1 ZINC001574929119 949078824 /nfs/dbraw/zinc/07/88/24/949078824.db2.gz YQBNTFOMVVIACV-AWEZNQCLSA-N 0 1 392.467 0.911 20 0 GCADMN CC(C)(C(=O)NC[C@@H]1CCCN1c1ccnc(-c2nn[n-]n2)n1)[NH+]1CCCC1 ZINC001573780296 949089024 /nfs/dbraw/zinc/08/90/24/949089024.db2.gz VMEHDGRSOWVKRT-ZDUSSCGKSA-N 0 1 385.476 0.616 20 0 GCADMN C[C@@H](CNC(=O)COCc1cccnc1)CNc1ccncc1-c1nn[nH]n1 ZINC001574929557 949095493 /nfs/dbraw/zinc/09/54/93/949095493.db2.gz GKJAZQCMEGNJGV-CYBMUJFWSA-N 0 1 382.428 0.460 20 0 GCADMN CC(C)(C(=O)NCCN1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)C1CC1 ZINC001573780980 949098068 /nfs/dbraw/zinc/09/80/68/949098068.db2.gz ABUNCAQRVUOIIC-UHFFFAOYSA-N 0 1 385.476 0.331 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1)c1c[nH]cn1 ZINC001573781526 949107297 /nfs/dbraw/zinc/10/72/97/949107297.db2.gz JAUXKDQGYAFAFS-PHIMTYICSA-N 0 1 382.432 0.086 20 0 GCADMN C[C@@H](NC(=O)[C@@H](C)n1cncn1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575250319 949109776 /nfs/dbraw/zinc/10/97/76/949109776.db2.gz DRHDUISALRWWMC-GHMZBOCLSA-N 0 1 387.473 0.717 20 0 GCADMN CC(C)c1ocnc1C(=O)N1C[C@@H](C)[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446167 949118343 /nfs/dbraw/zinc/11/83/43/949118343.db2.gz IZCDPUNUHLIJNL-GHMZBOCLSA-N 0 1 383.416 0.763 20 0 GCADMN CC(C)(C(=O)NC[C@H]1C[C@@H](Nc2ccnc(-c3nn[n-]n3)n2)C1)[NH+]1CCCC1 ZINC001573782332 949120874 /nfs/dbraw/zinc/12/08/74/949120874.db2.gz RXUILIOZPLEGGT-BETUJISGSA-N 0 1 385.476 0.260 20 0 GCADMN CC(C)c1ocnc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574446189 949123544 /nfs/dbraw/zinc/12/35/44/949123544.db2.gz JMKXYOZREYLXLO-UHFFFAOYSA-N 0 1 383.416 0.905 20 0 GCADMN C[C@H](CNC(=O)COC[C@H]1CCCO1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001574932043 949130318 /nfs/dbraw/zinc/13/03/18/949130318.db2.gz UFFPERWWDDZHAV-IUODEOHRSA-N 0 1 392.435 0.796 20 0 GCADMN C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574696595 949134221 /nfs/dbraw/zinc/13/42/21/949134221.db2.gz RQZSUJRQLDVRDM-GFCCVEGCSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@H](CCNc1nccnc1-c1nnn[n-]1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574696595 949134238 /nfs/dbraw/zinc/13/42/38/949134238.db2.gz RQZSUJRQLDVRDM-GFCCVEGCSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001574696595 949134257 /nfs/dbraw/zinc/13/42/57/949134257.db2.gz RQZSUJRQLDVRDM-GFCCVEGCSA-N 0 1 375.481 0.941 20 0 GCADMN C[C@H](CCNc1nccnc1-c1nn[n-]n1)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001574696595 949134276 /nfs/dbraw/zinc/13/42/76/949134276.db2.gz RQZSUJRQLDVRDM-GFCCVEGCSA-N 0 1 375.481 0.941 20 0 GCADMN CC(C)c1ocnc1C(=O)N(C)C[C@@H](O)CNc1ccncc1-c1nn[nH]n1 ZINC001574446597 949134927 /nfs/dbraw/zinc/13/49/27/949134927.db2.gz SHWMNGZZXYXDHN-NSHDSACASA-N 0 1 386.416 0.340 20 0 GCADMN C[C@@H](CNC(=O)COc1ccccc1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574933988 949145788 /nfs/dbraw/zinc/14/57/88/949145788.db2.gz AHGMZKJWKRSLOD-LLVKDONJSA-N 0 1 386.391 0.461 20 0 GCADMN CC(C)[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)CCO1 ZINC001574095451 949154185 /nfs/dbraw/zinc/15/41/85/949154185.db2.gz YNNPZAFBJWMKMJ-XDQVBPFNSA-N 0 1 386.460 0.589 20 0 GCADMN C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575252116 949154987 /nfs/dbraw/zinc/15/49/87/949154987.db2.gz DWUUBOZYRSEFPN-OLZOCXBDSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001575252116 949155001 /nfs/dbraw/zinc/15/50/01/949155001.db2.gz DWUUBOZYRSEFPN-OLZOCXBDSA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cncc(-c2nn[n-]n2)n1 ZINC001575252122 949155843 /nfs/dbraw/zinc/15/58/43/949155843.db2.gz DWUUBOZYRSEFPN-STQMWFEESA-N 0 1 385.476 0.838 20 0 GCADMN C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1cncc(-c2nnn[n-]2)n1 ZINC001575252122 949155831 /nfs/dbraw/zinc/15/58/31/949155831.db2.gz DWUUBOZYRSEFPN-STQMWFEESA-N 0 1 385.476 0.838 20 0 GCADMN C[C@@H](CNC(=O)COc1ccc(F)cc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574934406 949158755 /nfs/dbraw/zinc/15/87/55/949158755.db2.gz HKVJTUJYXKQPSD-LLVKDONJSA-N 0 1 386.391 0.461 20 0 GCADMN CC(C)(C(=O)N[C@@H]1[C@H]2CN(c3cnc(-c4nn[n-]n4)cn3)C[C@H]21)[NH+]1CCCC1 ZINC001573786973 949159847 /nfs/dbraw/zinc/15/98/47/949159847.db2.gz HETIQKVEUVSCAV-JYAVWHMHSA-N 0 1 383.460 0.082 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574697587 949160855 /nfs/dbraw/zinc/16/08/55/949160855.db2.gz BCTHUYANEVWYKR-ZIAGYGMSSA-N 0 1 387.492 0.602 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)C(C)(C)N1CCOCC1 ZINC001575252253 949160900 /nfs/dbraw/zinc/16/09/00/949160900.db2.gz PXMWOCRMUBLIQT-OLZOCXBDSA-N 0 1 388.476 0.100 20 0 GCADMN CC(C)c1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574447619 949166737 /nfs/dbraw/zinc/16/67/37/949166737.db2.gz UZZKYDFHPNJVGI-JTQLQIEISA-N 0 1 391.457 0.920 20 0 GCADMN CC(C)c1ocnc1C(=O)NC[C@@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574447619 949166755 /nfs/dbraw/zinc/16/67/55/949166755.db2.gz UZZKYDFHPNJVGI-JTQLQIEISA-N 0 1 391.457 0.920 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574698112 949174478 /nfs/dbraw/zinc/17/44/78/949174478.db2.gz GDVFWRDRCJDUHK-MNOVXSKESA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)n1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574698112 949174494 /nfs/dbraw/zinc/17/44/94/949174494.db2.gz GDVFWRDRCJDUHK-MNOVXSKESA-N 0 1 375.462 0.717 20 0 GCADMN C[C@H](CN1CCOCC1)C(=O)N(C)C[C@H](C)Nc1ncccc1-c1nn[nH]n1 ZINC001574698158 949178248 /nfs/dbraw/zinc/17/82/48/949178248.db2.gz GSQLRPXRZQVLEK-KGLIPLIRSA-N 0 1 388.476 0.489 20 0 GCADMN C[C@@H](c1cnccn1)N1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)C1 ZINC001575515091 949180512 /nfs/dbraw/zinc/18/05/12/949180512.db2.gz FYSHSZFGDLEBPX-LBPRGKRZSA-N 0 1 379.428 0.894 20 0 GCADMN CC(C)c1oncc1C(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574448309 949181295 /nfs/dbraw/zinc/18/12/95/949181295.db2.gz HTONMWNYJLAKNL-UHFFFAOYSA-N 0 1 383.416 0.905 20 0 GCADMN CC(C)(C(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1cccc(-c2nn[nH]n2)c1 ZINC001573787906 949192675 /nfs/dbraw/zinc/19/26/75/949192675.db2.gz DOHROCSVYQBSAG-ILXRZTDVSA-N 0 1 383.456 0.600 20 0 GCADMN CC(C)(C(N)=O)C(=O)N[C@@H]1[C@H]2CN(Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573788507 949196337 /nfs/dbraw/zinc/19/63/37/949196337.db2.gz KMJLRFXZDNHKQU-IMRBUKKESA-N 0 1 387.419 0.064 20 0 GCADMN CC1(Nc2cnc(-c3nn[nH]n3)cn2)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001575853250 949208514 /nfs/dbraw/zinc/20/85/14/949208514.db2.gz NZWTXFAJJDHKLP-UHFFFAOYSA-N 0 1 382.432 0.806 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H](C)Oc1ccccn1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574698888 949213917 /nfs/dbraw/zinc/21/39/17/949213917.db2.gz PVJYQFHGDIAEFR-VXGBXAGGSA-N 0 1 383.416 0.200 20 0 GCADMN CC1(Nc2ccncc2-c2nn[nH]n2)CCN(C(=O)COCC(F)F)CC1 ZINC001575853927 949223983 /nfs/dbraw/zinc/22/39/83/949223983.db2.gz OYOZVUXEZRDDMZ-UHFFFAOYSA-N 0 1 381.387 0.758 20 0 GCADMN C[C@H]1CCC[C@]1(C)C(=O)N(C)CCOCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576151534 949226214 /nfs/dbraw/zinc/22/62/14/949226214.db2.gz GGYQKACMGLEMAD-UGSOOPFHSA-N 0 1 388.476 0.792 20 0 GCADMN C[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574937689 949229154 /nfs/dbraw/zinc/22/91/54/949229154.db2.gz PRWSYNNEUPMQES-GFCCVEGCSA-N 0 1 391.439 0.967 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)C2(C(F)F)CC2)CC1 ZINC001575854046 949231165 /nfs/dbraw/zinc/23/11/65/949231165.db2.gz REVMIQNWOZBDNB-UHFFFAOYSA-N 0 1 378.387 0.917 20 0 GCADMN CC1(Nc2ccnc(-c3nn[nH]n3)n2)CCN(C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001575854417 949232926 /nfs/dbraw/zinc/23/29/26/949232926.db2.gz VXILWJUVGHKOMD-UHFFFAOYSA-N 0 1 381.400 0.286 20 0 GCADMN C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001575256167 949245575 /nfs/dbraw/zinc/24/55/75/949245575.db2.gz TYSVDRCIFBOIIT-STQMWFEESA-N 0 1 385.476 0.260 20 0 GCADMN CC(C)n1cc(C(=O)N(C)C[C@@H](O)CNc2ccncc2-c2nn[nH]n2)cn1 ZINC001574452216 949255241 /nfs/dbraw/zinc/25/52/41/949255241.db2.gz GSKZIIABDHJVQM-ZDUSSCGKSA-N 0 1 385.432 0.006 20 0 GCADMN CC(C)n1cc(C(=O)NCC2CC(Nc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001574452994 949277389 /nfs/dbraw/zinc/27/73/89/949277389.db2.gz UVZMWAIUMNFPQC-UHFFFAOYSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@H](CNC(=O)Cc1ccc2c(c1)COC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574941206 949293468 /nfs/dbraw/zinc/29/34/68/949293468.db2.gz PJLJHOKJAWXRSW-LLVKDONJSA-N 0 1 380.412 0.268 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H](NC(N)=O)C(C)(C)C)Nc1ccncc1-c1nn[nH]n1 ZINC001574702910 949298305 /nfs/dbraw/zinc/29/83/05/949298305.db2.gz NRCBHZJSGZOVMZ-GXFFZTMASA-N 0 1 389.464 0.025 20 0 GCADMN CC(C)CC(=O)N1CCC2(CC1)CN(c1ccnc(-c3nn[nH]n3)n1)CCO2 ZINC001574109261 949317277 /nfs/dbraw/zinc/31/72/77/949317277.db2.gz WBCPTURVMBSPNF-UHFFFAOYSA-N 0 1 386.460 0.901 20 0 GCADMN C[C@@H](NC(=O)C1=COCCO1)[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575259153 949318295 /nfs/dbraw/zinc/31/82/95/949318295.db2.gz MRKDAOUEVXCCKM-VXGBXAGGSA-N 0 1 386.416 0.266 20 0 GCADMN CC(C)n1ccc(C(=O)N(C)C[C@@H](O)CNc2ccncc2-c2nn[nH]n2)n1 ZINC001574457310 949323596 /nfs/dbraw/zinc/32/35/96/949323596.db2.gz GCOTUDXCPXXGDE-LBPRGKRZSA-N 0 1 385.432 0.006 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N[C@@H](CNc1ccncc1-c1nn[nH]n1)C1CC1 ZINC001573798412 949354318 /nfs/dbraw/zinc/35/43/18/949354318.db2.gz BHMQAMSVFVJSCP-AWEZNQCLSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@@H](CNC(=O)Cc1ccn(C)n1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574942398 949355179 /nfs/dbraw/zinc/35/51/79/949355179.db2.gz NQRXKFPYNSJTIF-LBPRGKRZSA-N 0 1 386.435 0.919 20 0 GCADMN C[C@@H](NC(=O)C1=CCOCC1)[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575260801 949363372 /nfs/dbraw/zinc/36/33/72/949363372.db2.gz XQRPXMGORHOFHR-OCCSQVGLSA-N 0 1 384.444 0.725 20 0 GCADMN C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575260735 949363964 /nfs/dbraw/zinc/36/39/64/949363964.db2.gz XIOQOPLBFSJCKQ-DOMZBBRYSA-N 0 1 383.456 0.329 20 0 GCADMN C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)C1 ZINC001576154965 949375503 /nfs/dbraw/zinc/37/55/03/949375503.db2.gz SLTWWOQMRUGJOS-ZIAGYGMSSA-N 0 1 386.460 0.901 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001573799643 949376017 /nfs/dbraw/zinc/37/60/17/949376017.db2.gz OMYFRJLKPSMEAN-LBPRGKRZSA-N 0 1 386.460 0.249 20 0 GCADMN CC(C)n1ccc(CC(=O)N[C@@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001574460668 949378459 /nfs/dbraw/zinc/37/84/59/949378459.db2.gz WNYYIPXFQQOACR-CYBMUJFWSA-N 0 1 382.432 0.372 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)n1 ZINC001574460685 949378843 /nfs/dbraw/zinc/37/88/43/949378843.db2.gz XJVRBNGKNIDULW-YABSGUDNSA-N 0 1 380.416 0.299 20 0 GCADMN CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573799960 949383510 /nfs/dbraw/zinc/38/35/10/949383510.db2.gz SADFYDXCFIJBNN-OAHLLOKOSA-N 0 1 385.472 0.720 20 0 GCADMN CC1(C)CN(C(=O)[C@]2(C)CCCOC2)C[C@@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575527993 949385582 /nfs/dbraw/zinc/38/55/82/949385582.db2.gz KTIFLTXTXDQVRM-KPZWWZAWSA-N 0 1 386.460 0.544 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H](C)NC(=O)CC(C)(C)C ZINC001575263088 949390208 /nfs/dbraw/zinc/39/02/08/949390208.db2.gz DMZDUOZHRHMTRM-VXGBXAGGSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC001575263085 949390244 /nfs/dbraw/zinc/39/02/44/949390244.db2.gz DMZDUOZHRHMTRM-NEPJUHHUSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H](CNC(=O)Cc1cnn(C)c1)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574944554 949398639 /nfs/dbraw/zinc/39/86/39/949398639.db2.gz FBWSZMXXEXPOPN-LBPRGKRZSA-N 0 1 386.435 0.919 20 0 GCADMN C[C@H](CNC(=O)Cc1n[nH]c2c1CCCC2)Nc1cncc(-c2nn[nH]n2)n1 ZINC001574944882 949402055 /nfs/dbraw/zinc/40/20/55/949402055.db2.gz HVAVNARGZSZBAJ-SNVBAGLBSA-N 0 1 382.432 0.418 20 0 GCADMN C[C@H](NC(=O)CC(C)(C)C)C(=O)NCCN(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575263840 949410661 /nfs/dbraw/zinc/41/06/61/949410661.db2.gz KCZGMZPPXNNWTP-NSHDSACASA-N 0 1 389.464 0.150 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCc2n[nH]cc21)Nc1ccncc1-c1nn[nH]n1 ZINC001574704948 949413834 /nfs/dbraw/zinc/41/38/34/949413834.db2.gz GHHHQGNVAANVMO-NWDGAFQWSA-N 0 1 381.444 0.786 20 0 GCADMN CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705563 949430761 /nfs/dbraw/zinc/43/07/61/949430761.db2.gz IOPYQSUGJHIGBK-KBPBESRZSA-N 0 1 387.492 0.600 20 0 GCADMN CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)Nc1ccnc(-c2nn[n-]n2)n1 ZINC001574705563 949430782 /nfs/dbraw/zinc/43/07/82/949430782.db2.gz IOPYQSUGJHIGBK-KBPBESRZSA-N 0 1 387.492 0.600 20 0 GCADMN C[C@H](NC(=O)[C@@H]1COCCO1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264954 949439533 /nfs/dbraw/zinc/43/95/33/949439533.db2.gz RFNMGOQRUFMILY-GWCFXTLKSA-N 0 1 378.458 0.280 20 0 GCADMN CC(C)n1nccc1C(=O)N1CC[C@H](N(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574468090 949459401 /nfs/dbraw/zinc/45/94/01/949459401.db2.gz ISRLDJDRKVNUFB-LBPRGKRZSA-N 0 1 382.432 0.785 20 0 GCADMN C[C@@H](NC(=O)[C@@H]1CCCCN1C)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575266002 949460494 /nfs/dbraw/zinc/46/04/94/949460494.db2.gz WOUILSYTXBFTQO-ABAIWWIYSA-N 0 1 386.460 0.256 20 0 GCADMN C[C@H](NC(=O)[C@H]1CCCCN1C)C1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001575266009 949461613 /nfs/dbraw/zinc/46/16/13/949461613.db2.gz WOUILSYTXBFTQO-XHDPSFHLSA-N 0 1 386.460 0.256 20 0 GCADMN CC(C)n1cnc(C(=O)N[C@@H]2[C@H]3CN(c4ccnc(-c5nn[nH]n5)n4)C[C@H]32)c1 ZINC001574468838 949466387 /nfs/dbraw/zinc/46/63/87/949466387.db2.gz UANXVQSQOZGHCS-YABSGUDNSA-N 0 1 380.416 0.299 20 0 GCADMN CC(C)n1ncc(C(=O)N[C@@H](C)CNc2ccnc(-c3nn[nH]n3)n2)c1Cl ZINC001574468576 949468208 /nfs/dbraw/zinc/46/82/08/949468208.db2.gz QDUMHPLQPPPEKD-VIFPVBQESA-N 0 1 390.839 0.740 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574948826 949470749 /nfs/dbraw/zinc/47/07/49/949470749.db2.gz MWCLUPOJTYGJLG-SNVBAGLBSA-N 0 1 387.473 0.692 20 0 GCADMN C[C@H](CNC(=O)Cn1cc(C2CC2)nn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574948826 949470765 /nfs/dbraw/zinc/47/07/65/949470765.db2.gz MWCLUPOJTYGJLG-SNVBAGLBSA-N 0 1 387.473 0.692 20 0 GCADMN CC1(C(=O)N2CC[C@]3(C2)CN(c2ccnc(-c4nn[nH]n4)n2)CCO3)CCC1 ZINC001575536542 949471437 /nfs/dbraw/zinc/47/14/37/949471437.db2.gz JGSNRESVUJKFRY-GOSISDBHSA-N 0 1 384.444 0.655 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574469284 949476694 /nfs/dbraw/zinc/47/66/94/949476694.db2.gz ADPWJCUQYGLFIG-LLVKDONJSA-N 0 1 390.473 0.586 20 0 GCADMN CC(C)n1nccc1C(=O)NC[C@H](O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574469284 949476703 /nfs/dbraw/zinc/47/67/03/949476703.db2.gz ADPWJCUQYGLFIG-LLVKDONJSA-N 0 1 390.473 0.586 20 0 GCADMN CC[C@@H](C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC001589626477 949481473 /nfs/dbraw/zinc/48/14/73/949481473.db2.gz KMUNDJUGDYMNGT-OIISXLGYSA-N 0 1 395.500 0.800 20 0 GCADMN CC[C@@H](C(=O)N1CCC(N2C[C@H](C(=O)[O-])CC2=O)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC001589626477 949481483 /nfs/dbraw/zinc/48/14/83/949481483.db2.gz KMUNDJUGDYMNGT-OIISXLGYSA-N 0 1 395.500 0.800 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1CCCc2nn[nH]c21)Nc1ccncc1-c1nn[nH]n1 ZINC001574708235 949488995 /nfs/dbraw/zinc/48/89/95/949488995.db2.gz UMFVUOPCLLAFCO-WDEREUQCSA-N 0 1 382.432 0.181 20 0 GCADMN C[C@@H](CNC(=O)Cn1cncn1)CNc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574949425 949494890 /nfs/dbraw/zinc/49/48/90/949494890.db2.gz WAEQKAMRHHKQMZ-ZETCQYMHSA-N 0 1 382.841 0.433 20 0 GCADMN C[C@@]1(C(=O)N2CCC(Nc3ccncc3-c3nn[nH]n3)CC2)CCC(=O)NC1 ZINC001575537749 949499957 /nfs/dbraw/zinc/49/99/57/949499957.db2.gz XFHXAXQMSOMNTG-GOSISDBHSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@H](CNC(=O)Cn1ccc(C(F)F)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574949466 949501492 /nfs/dbraw/zinc/50/14/92/949501492.db2.gz XECUJQXFURNMHT-VIFPVBQESA-N 0 1 392.374 0.077 20 0 GCADMN C[C@@H]1CCCC[C@]1(CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cn[nH]c1 ZINC001576159034 949509552 /nfs/dbraw/zinc/50/95/52/949509552.db2.gz VYRCGYLPUKFXMH-PIGZYNQJSA-N 0 1 382.432 0.593 20 0 GCADMN C[C@]1(C(=O)N2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)CCNC(=O)C1 ZINC001575538425 949524247 /nfs/dbraw/zinc/52/42/47/949524247.db2.gz GYOJKVKDMRASRY-XIKOKIGWSA-N 0 1 384.444 0.003 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574711164 949527025 /nfs/dbraw/zinc/52/70/25/949527025.db2.gz DWYBECGZBMZXPG-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)CC1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574711164 949527046 /nfs/dbraw/zinc/52/70/46/949527046.db2.gz DWYBECGZBMZXPG-NWDGAFQWSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575872053 949533484 /nfs/dbraw/zinc/53/34/84/949533484.db2.gz FPGZREHNXSKVRU-STQMWFEESA-N 0 1 383.460 0.226 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575872053 949533495 /nfs/dbraw/zinc/53/34/95/949533495.db2.gz FPGZREHNXSKVRU-STQMWFEESA-N 0 1 383.460 0.226 20 0 GCADMN CC(C)CC(=O)NCCN1CCC(NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001574123154 949540568 /nfs/dbraw/zinc/54/05/68/949540568.db2.gz JSWCHSZWHMFTSD-UHFFFAOYSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@H](CN(C)C(=O)C1Cc2ccccc2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574711566 949544614 /nfs/dbraw/zinc/54/46/14/949544614.db2.gz JGGQKNZRIWRRGE-GFCCVEGCSA-N 0 1 378.440 0.752 20 0 GCADMN C[C@H](CNC(=O)[C@@H](C)OCc1ccccc1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574950974 949549351 /nfs/dbraw/zinc/54/93/51/949549351.db2.gz VENULAWUMKLSGO-CHWSQXEVSA-N 0 1 382.428 0.601 20 0 GCADMN CC(C)CC(=O)NCCN1CCC(NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001574123256 949551094 /nfs/dbraw/zinc/55/10/94/949551094.db2.gz PITQRFASDCOLNI-UHFFFAOYSA-N 0 1 388.476 0.551 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574472393 949551104 /nfs/dbraw/zinc/55/11/04/949551104.db2.gz UJJMZJMUCBGIMY-UWVGGRQHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574472393 949551118 /nfs/dbraw/zinc/55/11/18/949551118.db2.gz UJJMZJMUCBGIMY-UWVGGRQHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H](NC(=O)C[C@@H]1COC(=O)C1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269472 949551755 /nfs/dbraw/zinc/55/17/55/949551755.db2.gz VEAURBXXDHIYBN-OCCSQVGLSA-N 0 1 384.440 0.756 20 0 GCADMN C[C@@H](CC(=O)N(C)C1CC(Nc2ccnc(-c3nn[nH]n3)n2)C1)n1cccc1 ZINC001574472357 949553952 /nfs/dbraw/zinc/55/39/52/949553952.db2.gz SZMRLVRJEQRNBZ-HSBZDZAISA-N 0 1 381.444 0.933 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCc2n[nH]cc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711810 949555519 /nfs/dbraw/zinc/55/55/19/949555519.db2.gz MLRKFUNAZIXWNH-VXGBXAGGSA-N 0 1 381.444 0.471 20 0 GCADMN C[C@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269651 949557606 /nfs/dbraw/zinc/55/76/06/949557606.db2.gz WDIONRKEUDJTEF-BLLLJJGKSA-N 0 1 383.456 0.472 20 0 GCADMN C[C@@H](NC(=O)C[C@H]1CCC(=O)N1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575269654 949557734 /nfs/dbraw/zinc/55/77/34/949557734.db2.gz WDIONRKEUDJTEF-MLGOLLRUSA-N 0 1 383.456 0.472 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH]nc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711821 949557903 /nfs/dbraw/zinc/55/79/03/949557903.db2.gz MRDDCTZAVZVXSO-RYUDHWBXSA-N 0 1 381.444 0.471 20 0 GCADMN CC1(C(=O)N2CCC[C@](CO)(Nc3ccnc(-c4nn[nH]n4)n3)C2)CCCC1 ZINC001575539739 949559505 /nfs/dbraw/zinc/55/95/05/949559505.db2.gz SIXWDWBBLWCPMT-SFHVURJKSA-N 0 1 386.460 0.424 20 0 GCADMN C[C@@]1(C(=O)N2CCC[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)CCCOC1 ZINC001575539733 949559815 /nfs/dbraw/zinc/55/98/15/949559815.db2.gz SHSLUIBRRQHLMP-FZKQIMNGSA-N 0 1 386.460 0.546 20 0 GCADMN CC(C)C[C@H](C(N)=O)C(=O)N1CCC[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001574124071 949560709 /nfs/dbraw/zinc/56/07/09/949560709.db2.gz APBWKNKYUXDORI-CHWSQXEVSA-N 0 1 386.460 0.234 20 0 GCADMN C[C@@H]1CCCC[C@H]1OCC(=O)N(C)CCCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164568 949561009 /nfs/dbraw/zinc/56/10/09/949561009.db2.gz HKWHCALRVKYIMS-ZIAGYGMSSA-N 0 1 388.476 0.934 20 0 GCADMN C[C@H]1CCCN(C(=O)C2=CCOCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576164940 949564613 /nfs/dbraw/zinc/56/46/13/949564613.db2.gz INYUKIJRJGFHCK-JSGCOSHPSA-N 0 1 384.444 0.464 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574711944 949566331 /nfs/dbraw/zinc/56/63/31/949566331.db2.gz OIJUBZJTTGTERO-JSGCOSHPSA-N 0 1 378.440 0.752 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1nccnc1-c1nnn[n-]1 ZINC001575873022 949566509 /nfs/dbraw/zinc/56/65/09/949566509.db2.gz MSSABHCZWNACFL-OLZOCXBDSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1nccnc1-c1nn[n-]n1 ZINC001575873022 949566521 /nfs/dbraw/zinc/56/65/21/949566521.db2.gz MSSABHCZWNACFL-OLZOCXBDSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)NC(N)=O ZINC001574475464 949568167 /nfs/dbraw/zinc/56/81/67/949568167.db2.gz AIXTYLKWAPYHBV-DOMZBBRYSA-N 0 1 386.460 0.346 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H]1CCN1Cc1ccc(-c2nn[nH]n2)cc1)NC(N)=O ZINC001574475466 949568996 /nfs/dbraw/zinc/56/89/96/949568996.db2.gz AIXTYLKWAPYHBV-IUODEOHRSA-N 0 1 386.460 0.346 20 0 GCADMN C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576165367 949569672 /nfs/dbraw/zinc/56/96/72/949569672.db2.gz JXEROZMTZKCQOT-SYQHCUMBSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@H]1CCCC[C@@H]1OCC(=O)N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001576165373 949570277 /nfs/dbraw/zinc/57/02/77/949570277.db2.gz JXEROZMTZKCQOT-XUXIUFHCSA-N 0 1 386.460 0.733 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574712376 949576959 /nfs/dbraw/zinc/57/69/59/949576959.db2.gz ROXHMFSXHBQQNF-GHMZBOCLSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574712376 949576982 /nfs/dbraw/zinc/57/69/82/949576982.db2.gz ROXHMFSXHBQQNF-GHMZBOCLSA-N 0 1 377.474 0.391 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873307 949577151 /nfs/dbraw/zinc/57/71/51/949577151.db2.gz BFJLXGJUOXJHAK-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cnc(-c2nn[n-]n2)cn1 ZINC001575873307 949577169 /nfs/dbraw/zinc/57/71/69/949577169.db2.gz BFJLXGJUOXJHAK-JSGCOSHPSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)CC(C)(C)C ZINC001574475969 949581322 /nfs/dbraw/zinc/58/13/22/949581322.db2.gz DPXQRRBOKMCQBG-STQMWFEESA-N 0 1 390.492 0.772 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCn2ccnc2C1)Nc1ccncc1-c1nn[nH]n1 ZINC001574712741 949588669 /nfs/dbraw/zinc/58/86/69/949588669.db2.gz UCHAMLSPQGQKSV-STQMWFEESA-N 0 1 381.444 0.402 20 0 GCADMN C[C@@H]1CCCN(C(=O)C2=COCCC2)[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576166676 949589851 /nfs/dbraw/zinc/58/98/51/949589851.db2.gz NISBLUXKQZNCBJ-OCCSQVGLSA-N 0 1 384.444 0.812 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H]1Cc2cccnc2C1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574712942 949592926 /nfs/dbraw/zinc/59/29/26/949592926.db2.gz VJGWHOACFCFUQL-YPMHNXCESA-N 0 1 379.428 0.147 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@@H]1Cc2ccccc2O1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574713257 949598533 /nfs/dbraw/zinc/59/85/33/949598533.db2.gz WQZYMJPGUMATMV-FZMZJTMJSA-N 0 1 380.412 0.341 20 0 GCADMN CC(C)C[C@@H](C(N)=O)C(=O)N(C)CCCN(C)c1ccncc1-c1nn[nH]n1 ZINC001574126032 949600795 /nfs/dbraw/zinc/60/07/95/949600795.db2.gz WWSZTJNIRGGGNP-ZDUSSCGKSA-N 0 1 388.476 0.694 20 0 GCADMN C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccnc(-c2nn[n-]n2)n1 ZINC001575874237 949604158 /nfs/dbraw/zinc/60/41/58/949604158.db2.gz SKJALCLEHNHDDB-QWHCGFSZSA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575271079 949610818 /nfs/dbraw/zinc/61/08/18/949610818.db2.gz IBDSYIDXTNFEAC-NWDGAFQWSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@@H](Nc1ccncc1-c1nn[nH]n1)[C@H](C)NC(=O)CCNC(=O)C(C)(C)C ZINC001575271078 949611619 /nfs/dbraw/zinc/61/16/19/949611619.db2.gz IBDSYIDXTNFEAC-NEPJUHHUSA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H](NC(=O)CCCC(N)=O)[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)C1 ZINC001575271280 949615581 /nfs/dbraw/zinc/61/55/81/949615581.db2.gz JGLLTOFVSRICLM-STQMWFEESA-N 0 1 386.460 0.638 20 0 GCADMN C[C@@H]1[C@H](NC(=O)CCc2cnc[nH]2)CCCN1c1cnc(-c2nn[nH]n2)cn1 ZINC001575874765 949618262 /nfs/dbraw/zinc/61/82/62/949618262.db2.gz GQEGFJQUEPNNHE-DGCLKSJQSA-N 0 1 382.432 0.486 20 0 GCADMN C[C@H](CC(=O)N(C)[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574476753 949621043 /nfs/dbraw/zinc/62/10/43/949621043.db2.gz JMAFOTPFCZMHJV-CHWSQXEVSA-N 0 1 382.432 0.542 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574714112 949622721 /nfs/dbraw/zinc/62/27/21/949622721.db2.gz CEDKQOSWAOBTLJ-UWVGGRQHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(N)=O ZINC001574714112 949622734 /nfs/dbraw/zinc/62/27/34/949622734.db2.gz CEDKQOSWAOBTLJ-UWVGGRQHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574714113 949624409 /nfs/dbraw/zinc/62/44/09/949624409.db2.gz CEDKQOSWAOBTLJ-VHSXEESVSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@H](CN(C)C(=O)C[C@H](C)NC(N)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574714113 949624424 /nfs/dbraw/zinc/62/44/24/949624424.db2.gz CEDKQOSWAOBTLJ-VHSXEESVSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccn[nH]2)[C@H]1CNc1cnc(-c2nn[nH]n2)cn1 ZINC001576168038 949626509 /nfs/dbraw/zinc/62/65/09/949626509.db2.gz BGXWJYAGMQMUQD-RISCZKNCSA-N 0 1 382.432 0.662 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)Cn1cnnn1 ZINC001573812888 949627101 /nfs/dbraw/zinc/62/71/01/949627101.db2.gz VVHOQXPAQCEXSN-LBPRGKRZSA-N 0 1 390.477 0.235 20 0 GCADMN CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)Cn1cnnn1 ZINC001573812888 949627112 /nfs/dbraw/zinc/62/71/12/949627112.db2.gz VVHOQXPAQCEXSN-LBPRGKRZSA-N 0 1 390.477 0.235 20 0 GCADMN C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1ccc(-c2nn[n-]n2)nn1 ZINC001575875856 949638583 /nfs/dbraw/zinc/63/85/83/949638583.db2.gz WIIZXSKYHKBLKI-STQMWFEESA-N 0 1 385.476 0.615 20 0 GCADMN C[C@@H](CN(C)C(=O)CCCC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574715395 949650402 /nfs/dbraw/zinc/65/04/02/949650402.db2.gz BTOZFPRNFWDNSY-ZETCQYMHSA-N 0 1 386.869 0.891 20 0 GCADMN C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CNc1ccnc(-c2nn[n-]n2)n1 ZINC001576169110 949662007 /nfs/dbraw/zinc/66/20/07/949662007.db2.gz FEOLPZSGDBBEDT-UONOGXRCSA-N 0 1 385.476 0.213 20 0 GCADMN C[C@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nnn[n-]4)s3)C2)CCOC1 ZINC001575548391 949672250 /nfs/dbraw/zinc/67/22/50/949672250.db2.gz ZDUBVNHBWXVOLB-SJCJKPOMSA-N 0 1 392.485 0.672 20 0 GCADMN C[C@]1(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[n-]n4)s3)C2)CCOC1 ZINC001575548391 949672262 /nfs/dbraw/zinc/67/22/62/949672262.db2.gz ZDUBVNHBWXVOLB-SJCJKPOMSA-N 0 1 392.485 0.672 20 0 GCADMN 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ZINC001574132281 949690858 /nfs/dbraw/zinc/69/08/58/949690858.db2.gz UTEQTPUDSACXPR-GOSISDBHSA-N 0 1 388.476 0.786 20 0 GCADMN C[C@H]1[C@H](NC(=O)COCC(F)F)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575880585 949703344 /nfs/dbraw/zinc/70/33/44/949703344.db2.gz UPFBCHZWORQXDF-VHSXEESVSA-N 0 1 382.375 0.412 20 0 GCADMN C[C@H](CC(=O)N(C)C[C@H](C)NCc1ccc(-c2nn[nH]n2)cc1F)NC(N)=O ZINC001574716933 949716652 /nfs/dbraw/zinc/71/66/52/949716652.db2.gz RYSJYRUGZPOKIS-MNOVXSKESA-N 0 1 392.439 0.389 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccon2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576170521 949721942 /nfs/dbraw/zinc/72/19/42/949721942.db2.gz LXBZYHJGZUBUQI-LRDDRELGSA-N 0 1 382.428 0.953 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ccon2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576170522 949722852 /nfs/dbraw/zinc/72/28/52/949722852.db2.gz LXBZYHJGZUBUQI-MLGOLLRUSA-N 0 1 382.428 0.953 20 0 GCADMN CC(C)(C)[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573818288 949726500 /nfs/dbraw/zinc/72/65/00/949726500.db2.gz JYCQFQORRPVCNM-NSHDSACASA-N 0 1 383.416 0.436 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cccc(=O)[nH]1 ZINC001573818287 949726752 /nfs/dbraw/zinc/72/67/52/949726752.db2.gz JYCQFQORRPVCNM-LLVKDONJSA-N 0 1 383.416 0.436 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1csc(=O)[nH]1 ZINC001573818239 949728138 /nfs/dbraw/zinc/72/81/38/949728138.db2.gz ITTCKHGKQLGKCJ-SECBINFHSA-N 0 1 389.445 0.497 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)C1)c1cnn(C)c1 ZINC001574479351 949734881 /nfs/dbraw/zinc/73/48/81/949734881.db2.gz DVCIEUXNGDEHGE-JSGCOSHPSA-N 0 1 381.444 0.624 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)N(C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574962989 949744261 /nfs/dbraw/zinc/74/42/61/949744261.db2.gz GZXSOKCOOJAGOD-IAQYHMDHSA-N 0 1 389.435 0.563 20 0 GCADMN CC(C)(C)[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)c1cc[nH]c(=O)c1 ZINC001573819747 949753136 /nfs/dbraw/zinc/75/31/36/949753136.db2.gz UNIGUJCJQFRKFR-LLVKDONJSA-N 0 1 383.416 0.436 20 0 GCADMN C[C@@H](CC(=O)N1CCC[C@](CO)(Nc2ccnc(-c3nn[nH]n3)n2)C1)C1CC1 ZINC001574480510 949755112 /nfs/dbraw/zinc/75/51/12/949755112.db2.gz JHYQIEVTCHTPIF-SGTLLEGYSA-N 0 1 386.460 0.280 20 0 GCADMN C[C@H](NC(=O)CCn1cc(Cl)cn1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575277557 949755120 /nfs/dbraw/zinc/75/51/20/949755120.db2.gz QWXMEKNSBWZHBP-QWRGUYRKSA-N 0 1 389.851 0.929 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)C[C@H]1CCC(=O)N1 ZINC001573819352 949755783 /nfs/dbraw/zinc/75/57/83/949755783.db2.gz UCXICUUSDZPAKM-RISCZKNCSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)(C)[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CCC(=O)NC1 ZINC001573820307 949763089 /nfs/dbraw/zinc/76/30/89/949763089.db2.gz XFTYUZPHABUJCO-RISCZKNCSA-N 0 1 386.460 0.153 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001574964162 949767484 /nfs/dbraw/zinc/76/74/84/949767484.db2.gz RAPFSTNZNVVMTD-QMTHXVAHSA-N 0 1 375.408 0.221 20 0 GCADMN C[C@]1(C(=O)NC2CC3(C2)CC(Nc2ccnc(-c4nn[nH]n4)n2)C3)CCOC1 ZINC001575559750 949768536 /nfs/dbraw/zinc/76/85/36/949768536.db2.gz FUBQULWAJMRELF-BCFKKSPQSA-N 0 1 384.444 0.345 20 0 GCADMN C[C@H](CC(=O)N1CCC(N(C)c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574481318 949774922 /nfs/dbraw/zinc/77/49/22/949774922.db2.gz OQEXOWHZCQHWSI-LLVKDONJSA-N 0 1 387.448 0.136 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481390 949778705 /nfs/dbraw/zinc/77/87/05/949778705.db2.gz PCQGFTFNBJLUOD-QWRGUYRKSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574481390 949778721 /nfs/dbraw/zinc/77/87/21/949778721.db2.gz PCQGFTFNBJLUOD-QWRGUYRKSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574481388 949779673 /nfs/dbraw/zinc/77/96/73/949779673.db2.gz PCQGFTFNBJLUOD-GHMZBOCLSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H](CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(-c3nn[n-]n3)s2)C1)NC(N)=O ZINC001574481388 949779685 /nfs/dbraw/zinc/77/96/85/949779685.db2.gz PCQGFTFNBJLUOD-GHMZBOCLSA-N 0 1 392.489 0.313 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ccoc2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576171796 949780305 /nfs/dbraw/zinc/78/03/05/949780305.db2.gz SLINXXXZEACZLB-GXTWGEPZSA-N 0 1 382.428 0.953 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](CNc2ccncc2-c2nn[nH]n2)C1)n1cccn1 ZINC001574481512 949785513 /nfs/dbraw/zinc/78/55/13/949785513.db2.gz QPSJCACOTBDDPZ-UONOGXRCSA-N 0 1 381.444 0.792 20 0 GCADMN C[C@H](CNC(=O)[C@H]1CCC(=O)N1C)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574964648 949788262 /nfs/dbraw/zinc/78/82/62/949788262.db2.gz ZEPGSGRGSCGEIZ-RNFRBKRXSA-N 0 1 384.853 0.514 20 0 GCADMN C[C@@H](CN(C)C(=O)CCc1ccc(=O)[nH]c1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574720471 949791222 /nfs/dbraw/zinc/79/12/22/949791222.db2.gz ADBGCTPJMZKALS-NSHDSACASA-N 0 1 383.416 0.071 20 0 GCADMN C[C@H](NC(=O)COCc1ccncc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575280892 949791448 /nfs/dbraw/zinc/79/14/48/949791448.db2.gz BGQBAMGOEDQLKW-STQMWFEESA-N 0 1 382.428 0.601 20 0 GCADMN C[C@H]1[C@H](NC(=O)Cc2cncs2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575882883 949797075 /nfs/dbraw/zinc/79/70/75/949797075.db2.gz ORYXXQCOHCFBIY-CMPLNLGQSA-N 0 1 385.457 0.829 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001575281765 949815013 /nfs/dbraw/zinc/81/50/13/949815013.db2.gz APOZUWVVKNFFAM-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575281765 949815027 /nfs/dbraw/zinc/81/50/27/949815027.db2.gz APOZUWVVKNFFAM-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001575281765 949815041 /nfs/dbraw/zinc/81/50/41/949815041.db2.gz APOZUWVVKNFFAM-KGLIPLIRSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@H](NCc2ccc(-c3nn[nH]n3)cc2F)C1)NC(N)=O ZINC001574482020 949815140 /nfs/dbraw/zinc/81/51/40/949815140.db2.gz YVCFINHYHNKAOG-GWCFXTLKSA-N 0 1 390.423 0.143 20 0 GCADMN CC1(C(=O)N[C@H]2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)CCOCC1 ZINC001575561896 949815811 /nfs/dbraw/zinc/81/58/11/949815811.db2.gz DKJJBAJNRNLNFE-OLZOCXBDSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574721513 949821778 /nfs/dbraw/zinc/82/17/78/949821778.db2.gz MUULJMXEQYLCNE-GFCCVEGCSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@H](CN(C)C(=O)CCCn1cncn1)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574721513 949821797 /nfs/dbraw/zinc/82/17/97/949821797.db2.gz MUULJMXEQYLCNE-GFCCVEGCSA-N 0 1 389.489 0.937 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCN1C(=O)Cc1ccn[nH]1 ZINC001575883801 949830269 /nfs/dbraw/zinc/83/02/69/949830269.db2.gz SNPUNOOVNCPNFU-GWCFXTLKSA-N 0 1 383.416 0.270 20 0 GCADMN C[C@@H](CNC(=O)c1[nH]cnc1C(C)(C)C)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001574966073 949831644 /nfs/dbraw/zinc/83/16/44/949831644.db2.gz TVCUYFODFHKCIZ-SNVBAGLBSA-N 0 1 384.448 0.577 20 0 GCADMN C[C@@H](CNC(=O)c1c(C2CCC2)cnn1C)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574966303 949842645 /nfs/dbraw/zinc/84/26/45/949842645.db2.gz WUNWWEOAIRJGPZ-JTQLQIEISA-N 0 1 382.432 0.310 20 0 GCADMN C[C@@H](NC(=O)CN1CC[C@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1)C1CC1 ZINC001575283251 949861830 /nfs/dbraw/zinc/86/18/30/949861830.db2.gz DSPGAXJOJOSYPY-VXGBXAGGSA-N 0 1 386.460 0.161 20 0 GCADMN C[C@](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)(NC(=O)CN1CCCC1)C1CC1 ZINC001574966913 949862821 /nfs/dbraw/zinc/86/28/21/949862821.db2.gz COIDDUCOXROQTQ-GOSISDBHSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@H](NC(=O)CCn1ccnn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283441 949869421 /nfs/dbraw/zinc/86/94/21/949869421.db2.gz GGCVNLUUMJGIPE-ZDUSSCGKSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cccnn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178000 949871293 /nfs/dbraw/zinc/87/12/93/949871293.db2.gz AITMVEFHYBWSNW-WCQYABFASA-N 0 1 380.416 0.221 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnn(C)n2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576178103 949876189 /nfs/dbraw/zinc/87/61/89/949876189.db2.gz AUAGEKPCOKQORD-IAQYHMDHSA-N 0 1 382.432 0.165 20 0 GCADMN C[C@H](NC(=O)CCn1cncn1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575283729 949888119 /nfs/dbraw/zinc/88/81/19/949888119.db2.gz HEEDPPRIPVCKCY-ZDUSSCGKSA-N 0 1 381.444 0.485 20 0 GCADMN C[C@@H](NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)[C@H](C)NC(=O)CN1CCC(C)(C)C1 ZINC001575283771 949888299 /nfs/dbraw/zinc/88/82/99/949888299.db2.gz HNMYALHFCPEADX-NWDGAFQWSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccnn2C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576178466 949888601 /nfs/dbraw/zinc/88/86/01/949888601.db2.gz BPPBJNHIRXNYOO-WCQYABFASA-N 0 1 382.432 0.165 20 0 GCADMN C[C@@H](NC(=O)CO[C@@H]1CCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575284333 949900265 /nfs/dbraw/zinc/90/02/65/949900265.db2.gz UHYMDOQLISPEMY-CXAGYDPISA-N 0 1 386.456 0.609 20 0 GCADMN C[C@@H](NC(=O)CO[C@H]1CCOC1)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575284335 949901460 /nfs/dbraw/zinc/90/14/60/949901460.db2.gz UHYMDOQLISPEMY-DYVFJYSZSA-N 0 1 386.456 0.609 20 0 GCADMN C[C@@H](NC(=O)CN1CCC(C)(C)C1)[C@H](C)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575284496 949906282 /nfs/dbraw/zinc/90/62/82/949906282.db2.gz IXMWORDPOLALEJ-NEPJUHHUSA-N 0 1 388.476 0.550 20 0 GCADMN C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284544 949906594 /nfs/dbraw/zinc/90/65/94/949906594.db2.gz JHZLQRAEDKZJLR-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)Nc1ccc(-c2nn[n-]n2)nn1 ZINC001575284544 949906613 /nfs/dbraw/zinc/90/66/13/949906613.db2.gz JHZLQRAEDKZJLR-RYUDHWBXSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](CNC(=O)c1c(F)cncc1F)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001574968703 949907056 /nfs/dbraw/zinc/90/70/56/949907056.db2.gz RRFUSZIAXMGIRA-MRVPVSSYSA-N 0 1 375.343 0.585 20 0 GCADMN C[C@]1(C(=O)NC2CCN(c3ccncc3-c3nn[nH]n3)CC2)CCC(=O)NC1 ZINC001575569355 949917584 /nfs/dbraw/zinc/91/75/84/949917584.db2.gz JMPBZJODOVPLTQ-SFHVURJKSA-N 0 1 384.444 0.263 20 0 GCADMN C[C@@H](Nc1cncc(-c2nnn[n-]2)n1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575284906 949919772 /nfs/dbraw/zinc/91/97/72/949919772.db2.gz XBBQWPYSKRHYTD-NEPJUHHUSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@@H](Nc1cncc(-c2nn[n-]n2)n1)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001575284906 949919794 /nfs/dbraw/zinc/91/97/94/949919794.db2.gz XBBQWPYSKRHYTD-NEPJUHHUSA-N 0 1 389.464 0.073 20 0 GCADMN C[C@H](CC(=O)N1CCCN(Cc2cccc(-c3nn[nH]n3)c2)CC1)NC(N)=O ZINC001574485301 949924762 /nfs/dbraw/zinc/92/47/62/949924762.db2.gz WUPSSMHONWJCAQ-CYBMUJFWSA-N 0 1 386.460 0.348 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cnn[nH]2)CCCN1c1ncc(-c2nn[nH]n2)cc1Cl ZINC001575889422 949928588 /nfs/dbraw/zinc/92/85/88/949928588.db2.gz RXFCBLFEXJUSGN-KWQFWETISA-N 0 1 388.823 0.821 20 0 GCADMN C[C@@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285084 949931420 /nfs/dbraw/zinc/93/14/20/949931420.db2.gz YEKDSDHUCDXQQA-QWHCGFSZSA-N 0 1 382.428 0.601 20 0 GCADMN C[C@H](NC(=O)COCc1cccnc1)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575285085 949932665 /nfs/dbraw/zinc/93/26/65/949932665.db2.gz YEKDSDHUCDXQQA-STQMWFEESA-N 0 1 382.428 0.601 20 0 GCADMN CC(C)C[C@H](CNC(=O)[C@H]1CCCN1C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574146046 949935143 /nfs/dbraw/zinc/93/51/43/949935143.db2.gz WHFXBWXVJJZYDB-UKRRQHHQSA-N 0 1 388.476 0.550 20 0 GCADMN CC(C)C[C@@H](CNC(=O)[C@@H]1CCCN1C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574146047 949935950 /nfs/dbraw/zinc/93/59/50/949935950.db2.gz WHFXBWXVJJZYDB-ZFWWWQNUSA-N 0 1 388.476 0.550 20 0 GCADMN CC(C)C[C@@H](CNC(=O)[C@H]1CCCN1C)NC(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001574146044 949936875 /nfs/dbraw/zinc/93/68/75/949936875.db2.gz WHFXBWXVJJZYDB-DZGCQCFKSA-N 0 1 388.476 0.550 20 0 GCADMN CC(C)C[C@@H](C)OCCC(=O)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001574146267 949939549 /nfs/dbraw/zinc/93/95/49/949939549.db2.gz XCMDICPYTIIKPH-MCIONIFRSA-N 0 1 388.476 0.979 20 0 GCADMN C[C@@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574488392 949949159 /nfs/dbraw/zinc/94/91/59/949949159.db2.gz FAHZPUBRVMRRCZ-MGPLVRAMSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(-c3nnn[n-]3)s2)C1)NC(N)=O ZINC001574488392 949949200 /nfs/dbraw/zinc/94/92/00/949949200.db2.gz FAHZPUBRVMRRCZ-MGPLVRAMSA-N 0 1 392.489 0.456 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575285567 949951789 /nfs/dbraw/zinc/95/17/89/949951789.db2.gz OWBZBAZTTIAMTL-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cnc(-c3nn[n-]n3)cn2)C1 ZINC001575285567 949951800 /nfs/dbraw/zinc/95/18/00/949951800.db2.gz OWBZBAZTTIAMTL-KBPBESRZSA-N 0 1 387.492 0.718 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cccnn2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576180464 949953083 /nfs/dbraw/zinc/95/30/83/949953083.db2.gz IFWQIPZDYOZMQX-WBMJQRKESA-N 0 1 379.428 0.826 20 0 GCADMN C[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)s3)C2)CCNC(=O)C1 ZINC001575571382 949956899 /nfs/dbraw/zinc/95/68/99/949956899.db2.gz ZZXMVNFYCVIKBT-APPDUMDISA-N 0 1 389.485 0.535 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)N(C)[C@H]1CCN(C2CCC2)C1=O ZINC001574974167 949968907 /nfs/dbraw/zinc/96/89/07/949968907.db2.gz LJLCKLZQSNDMIW-NHYWBVRUSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574489643 949969442 /nfs/dbraw/zinc/96/94/42/949969442.db2.gz KBZWAGFJPQUQMP-UWVGGRQHSA-N 0 1 380.478 0.312 20 0 GCADMN C[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1)NC(N)=O ZINC001574489643 949969455 /nfs/dbraw/zinc/96/94/55/949969455.db2.gz KBZWAGFJPQUQMP-UWVGGRQHSA-N 0 1 380.478 0.312 20 0 GCADMN CC(C)(C)CC(=O)N1CCC[C@H](N(CCO)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573830013 949971872 /nfs/dbraw/zinc/97/18/72/949971872.db2.gz HHVHASGTUDUQRT-ZDUSSCGKSA-N 0 1 388.476 0.883 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cnon2)[C@H]1CCNc1ccnc(-c2nn[nH]n2)n1 ZINC001576180884 949975013 /nfs/dbraw/zinc/97/50/13/949975013.db2.gz KBJBJCLMXVQPJA-JQWIXIFHSA-N 0 1 384.404 0.205 20 0 GCADMN C[C@H](NC(=O)CN(C)CCCN(C)C(=O)c1ccc(-c2nn[nH]n2)[nH]1)C1CC1 ZINC001575286202 949975340 /nfs/dbraw/zinc/97/53/40/949975340.db2.gz UOJXJXSBBLVYJQ-LBPRGKRZSA-N 0 1 388.476 0.503 20 0 GCADMN C[C@@H](NC(=O)CN1CCCCCC1=O)[C@@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001575286388 949979447 /nfs/dbraw/zinc/97/94/47/949979447.db2.gz VUMJOWKSMAVIDX-CHWSQXEVSA-N 0 1 386.460 0.391 20 0 GCADMN C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286384 949981257 /nfs/dbraw/zinc/98/12/57/949981257.db2.gz VUIZSMNGFQNSNH-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)Nc1cnc(-c2nn[n-]n2)cn1 ZINC001575286384 949981275 /nfs/dbraw/zinc/98/12/75/949981275.db2.gz VUIZSMNGFQNSNH-VXGBXAGGSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H](NC(=O)CNC(=O)C1CC1)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575286471 949985179 /nfs/dbraw/zinc/98/51/79/949985179.db2.gz WXNNUVRLZNOLQR-JTQLQIEISA-N 0 1 389.485 0.391 20 0 GCADMN C[C@@H](NC(=O)C[C@H](C)NC(N)=O)C1CN(Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001574490447 949995898 /nfs/dbraw/zinc/99/58/98/949995898.db2.gz RWWVSRXCMBSIOU-VHSXEESVSA-N 0 1 392.489 0.312 20 0 GCADMN C[C@@H]1[C@H](NC(=O)c2ccc(F)nc2)CCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001575891275 949996710 /nfs/dbraw/zinc/99/67/10/949996710.db2.gz HFFQSCFFOJKQAX-ZYHUDNBSSA-N 0 1 383.391 0.978 20 0 GCADMN C[C@H](CC(=O)N[C@@H](C)C1CN(Cc2cccc(-c3nn[nH]n3)c2)C1)NC(N)=O ZINC001574490557 950001740 /nfs/dbraw/zinc/00/17/40/950001740.db2.gz VBOISEODHRXNKR-NEPJUHHUSA-N 0 1 386.460 0.250 20 0 GCADMN C[C@H](CC(=O)N[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccn1 ZINC001574490574 950006928 /nfs/dbraw/zinc/00/69/28/950006928.db2.gz VJUPLKOPZXKBGH-YPMHNXCESA-N 0 1 382.432 0.233 20 0 GCADMN C[C@]1(C(=O)NC[C@@H](CO)Nc2nc(-c3nn[nH]n3)c(Cl)s2)CCOC1 ZINC001575574524 950024463 /nfs/dbraw/zinc/02/44/63/950024463.db2.gz VVADLQQJOZXZFU-CPFSXVBKSA-N 0 1 387.853 0.292 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2cnns2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182186 950039214 /nfs/dbraw/zinc/03/92/14/950039214.db2.gz NMHVGYGHBZCSBK-MFKMUULPSA-N 0 1 385.457 0.888 20 0 GCADMN C[C@@H](CC(=O)N[C@H]1CCCN(c2ccncc2-c2nn[nH]n2)CC1)NC(N)=O ZINC001574491629 950040455 /nfs/dbraw/zinc/04/04/55/950040455.db2.gz FBXFNGNMNNCJAR-RYUDHWBXSA-N 0 1 387.448 0.184 20 0 GCADMN C[C@H]1CCN(C(=O)CCCC(N)=O)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576182874 950065988 /nfs/dbraw/zinc/06/59/88/950065988.db2.gz NSWUXCSRNBHKEZ-STQMWFEESA-N 0 1 386.460 0.236 20 0 GCADMN C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574732798 950075711 /nfs/dbraw/zinc/07/57/11/950075711.db2.gz KUHDQCRNFPTAHG-RQJHMYQMSA-N 0 1 384.853 0.514 20 0 GCADMN C[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)[C@H]1CNCc1nccn1C ZINC001576183022 950077111 /nfs/dbraw/zinc/07/71/11/950077111.db2.gz QJPOVCFRLCRNJP-WFASDCNBSA-N 0 1 383.460 0.959 20 0 GCADMN C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183293 950078204 /nfs/dbraw/zinc/07/82/04/950078204.db2.gz PCMMGIBMECAWLL-KGLIPLIRSA-N 0 1 385.476 0.649 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574151523 950080272 /nfs/dbraw/zinc/08/02/72/950080272.db2.gz UKQXBTPHEKWUJP-DGCLKSJQSA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@H]1CCC(=O)N1 ZINC001574151523 950080293 /nfs/dbraw/zinc/08/02/93/950080293.db2.gz UKQXBTPHEKWUJP-DGCLKSJQSA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574151522 950080405 /nfs/dbraw/zinc/08/04/05/950080405.db2.gz UKQXBTPHEKWUJP-AAEUAGOBSA-N 0 1 391.501 0.827 20 0 GCADMN CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001574151522 950080427 /nfs/dbraw/zinc/08/04/27/950080427.db2.gz UKQXBTPHEKWUJP-AAEUAGOBSA-N 0 1 391.501 0.827 20 0 GCADMN C[C@H](CC(=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574492469 950085950 /nfs/dbraw/zinc/08/59/50/950085950.db2.gz NDKDUJWCPJCKTR-MNOVXSKESA-N 0 1 392.489 0.456 20 0 GCADMN C[C@@H](CC(=O)N[C@@H]1CCCN(Cc2ccc(-c3nn[nH]n3)s2)C1)NC(N)=O ZINC001574492471 950087061 /nfs/dbraw/zinc/08/70/61/950087061.db2.gz NDKDUJWCPJCKTR-WDEREUQCSA-N 0 1 392.489 0.456 20 0 GCADMN C[C@H](CN(C)C(=O)Cn1ccc(C(F)F)n1)Nc1ccncc1-c1nn[nH]n1 ZINC001574733053 950089231 /nfs/dbraw/zinc/08/92/31/950089231.db2.gz QSGCBXGXNDAJLF-SNVBAGLBSA-N 0 1 391.386 0.777 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183626 950096829 /nfs/dbraw/zinc/09/68/29/950096829.db2.gz QUIVATOCLHAXMS-ZIAGYGMSSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183626 950096854 /nfs/dbraw/zinc/09/68/54/950096854.db2.gz QUIVATOCLHAXMS-ZIAGYGMSSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H](CC(=O)NC1CC(CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574492681 950097275 /nfs/dbraw/zinc/09/72/75/950097275.db2.gz OMNYSJDCLQQPLL-HIFPTAJRSA-N 0 1 382.432 0.233 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1cncc(-c2nnn[n-]2)n1 ZINC001576183625 950097909 /nfs/dbraw/zinc/09/79/09/950097909.db2.gz QUIVATOCLHAXMS-UONOGXRCSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1CNc1cncc(-c2nn[n-]n2)n1 ZINC001576183625 950097925 /nfs/dbraw/zinc/09/79/25/950097925.db2.gz QUIVATOCLHAXMS-UONOGXRCSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H](CC(=O)N[C@]1(C)CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574492666 950098990 /nfs/dbraw/zinc/09/89/90/950098990.db2.gz OGXZCOPIXFJUIQ-YVEFUNNKSA-N 0 1 382.432 0.590 20 0 GCADMN C[C@@H]1CCCN(C(=O)c2ccccn2)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576183694 950101597 /nfs/dbraw/zinc/10/15/97/950101597.db2.gz SOYWYUFRCDTIOD-TZMCWYRMSA-N 0 1 379.428 0.826 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)Nc1ccc(F)cc1 ZINC001574977245 950113980 /nfs/dbraw/zinc/11/39/80/950113980.db2.gz IGDZWWRNJUKURA-SNVBAGLBSA-N 0 1 386.391 0.681 20 0 GCADMN C[C@H]1CCCN(C(=O)c2ccnn2C)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184036 950115282 /nfs/dbraw/zinc/11/52/82/950115282.db2.gz VIVNBKGEUJSQQH-LRDDRELGSA-N 0 1 381.444 0.770 20 0 GCADMN CC1CCN(C(=O)CNC2(CNC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CC1 ZINC001576184088 950116135 /nfs/dbraw/zinc/11/61/35/950116135.db2.gz SZWQNNZNEKWOFT-UHFFFAOYSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574733613 950119728 /nfs/dbraw/zinc/11/97/28/950119728.db2.gz DUFGDLJCKBSGBJ-CMPLNLGQSA-N 0 1 377.474 0.486 20 0 GCADMN C[C@@H](CN(C)C(=O)[C@H]1CCC(=O)N1C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574733613 950119744 /nfs/dbraw/zinc/11/97/44/950119744.db2.gz DUFGDLJCKBSGBJ-CMPLNLGQSA-N 0 1 377.474 0.486 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576184135 950120853 /nfs/dbraw/zinc/12/08/53/950120853.db2.gz ULJFDXSTEORRKW-UONOGXRCSA-N 0 1 387.492 0.893 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576184135 950120868 /nfs/dbraw/zinc/12/08/68/950120868.db2.gz ULJFDXSTEORRKW-UONOGXRCSA-N 0 1 387.492 0.893 20 0 GCADMN C[C@H](CN(C)C(=O)[C@H](C)NC(N)=O)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001574733925 950123058 /nfs/dbraw/zinc/12/30/58/950123058.db2.gz HCBUJODHKNGOTC-RITPCOANSA-N 0 1 387.857 0.292 20 0 GCADMN C[C@@]1(C(=O)NC[C@@H]2[C@H]3CN(c4ccncc4-c4nn[nH]n4)C[C@H]32)CCCOC1 ZINC001575582862 950129641 /nfs/dbraw/zinc/12/96/41/950129641.db2.gz HYPIKEXGEQZRQB-NFWAQSGPSA-N 0 1 383.456 0.877 20 0 GCADMN CC(C)(C)CC(C)(C)C(=O)NC[C@H](O)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001573839912 950135741 /nfs/dbraw/zinc/13/57/41/950135741.db2.gz ZAECQGPBRAJNTD-LLVKDONJSA-N 0 1 376.465 0.430 20 0 GCADMN C[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576184922 950147203 /nfs/dbraw/zinc/14/72/03/950147203.db2.gz YGZFAYONUIEQGO-CHWSQXEVSA-N 0 1 381.444 0.546 20 0 GCADMN C[C@H](CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)NCC(=O)N(C)c1ccccc1 ZINC001574979204 950151969 /nfs/dbraw/zinc/15/19/69/950151969.db2.gz XKNIVJZSHYMTFJ-GFCCVEGCSA-N 0 1 382.428 0.566 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nnn[n-]3)n2)C1 ZINC001576185108 950157301 /nfs/dbraw/zinc/15/73/01/950157301.db2.gz ZXQWRJSNMXQEPY-UONOGXRCSA-N 0 1 387.492 0.315 20 0 GCADMN CC(C)[N@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576185108 950157312 /nfs/dbraw/zinc/15/73/12/950157312.db2.gz ZXQWRJSNMXQEPY-UONOGXRCSA-N 0 1 387.492 0.315 20 0 GCADMN CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001576185108 950157322 /nfs/dbraw/zinc/15/73/22/950157322.db2.gz ZXQWRJSNMXQEPY-UONOGXRCSA-N 0 1 387.492 0.315 20 0 GCADMN C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CCCO1 ZINC001574494434 950163741 /nfs/dbraw/zinc/16/37/41/950163741.db2.gz YQDJONIGZBKGJU-JSGCOSHPSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@@H](CC(=O)NC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CCCO1 ZINC001574494433 950164444 /nfs/dbraw/zinc/16/44/44/950164444.db2.gz YQDJONIGZBKGJU-GXTWGEPZSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190525 950165263 /nfs/dbraw/zinc/16/52/63/950165263.db2.gz AFGJJLHGNDHEHZ-NEPJUHHUSA-N 0 1 382.432 0.022 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576190771 950170702 /nfs/dbraw/zinc/17/07/02/950170702.db2.gz BPSJTONJVTYJPZ-CYBMUJFWSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2cncc(-c3nnn[n-]3)n2)C1 ZINC001576190771 950170718 /nfs/dbraw/zinc/17/07/18/950170718.db2.gz BPSJTONJVTYJPZ-CYBMUJFWSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576190771 950170735 /nfs/dbraw/zinc/17/07/35/950170735.db2.gz BPSJTONJVTYJPZ-CYBMUJFWSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2cncc(-c3nn[n-]n3)n2)C1 ZINC001576190771 950170748 /nfs/dbraw/zinc/17/07/48/950170748.db2.gz BPSJTONJVTYJPZ-CYBMUJFWSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@]1(C(=O)NC[C@H]2CCCCN2c2ccnc(-c3nn[nH]n3)n2)CCCOC1 ZINC001575584396 950171503 /nfs/dbraw/zinc/17/15/03/950171503.db2.gz QMFDEYGVGMCTPM-ACJLOTCBSA-N 0 1 386.460 0.949 20 0 GCADMN C[C@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190849 950174576 /nfs/dbraw/zinc/17/45/76/950174576.db2.gz CDRFHWMDLCIYJM-QWRGUYRKSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cncs2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190846 950176237 /nfs/dbraw/zinc/17/62/37/950176237.db2.gz CDRFHWMDLCIYJM-GHMZBOCLSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cncs2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576190848 950176427 /nfs/dbraw/zinc/17/64/27/950176427.db2.gz CDRFHWMDLCIYJM-MNOVXSKESA-N 0 1 385.457 0.745 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574982602 950176700 /nfs/dbraw/zinc/17/67/00/950176700.db2.gz FCYHLMJXJMPKFA-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](CNC(=O)c1c[nH]c(C(N)=O)c1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001574982602 950176713 /nfs/dbraw/zinc/17/67/13/950176713.db2.gz FCYHLMJXJMPKFA-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H]1CCN(C(=O)Cn2cccn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576190953 950177507 /nfs/dbraw/zinc/17/75/07/950177507.db2.gz DXLPNVLTLWFJGK-UONOGXRCSA-N 0 1 381.444 0.477 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574154965 950180226 /nfs/dbraw/zinc/18/02/26/950180226.db2.gz HGYBRYWDBVBMOD-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574154965 950180235 /nfs/dbraw/zinc/18/02/35/950180235.db2.gz HGYBRYWDBVBMOD-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001574154965 950180254 /nfs/dbraw/zinc/18/02/54/950180254.db2.gz HGYBRYWDBVBMOD-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574154965 950180258 /nfs/dbraw/zinc/18/02/58/950180258.db2.gz HGYBRYWDBVBMOD-MGPQQGTHSA-N 0 1 387.492 0.940 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576191050 950183908 /nfs/dbraw/zinc/18/39/08/950183908.db2.gz DDNMNBQLPXCAIU-CYBMUJFWSA-N 0 1 387.492 0.895 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2ccc(-c3nn[n-]n3)nn2)C1 ZINC001576191050 950183925 /nfs/dbraw/zinc/18/39/25/950183925.db2.gz DDNMNBQLPXCAIU-CYBMUJFWSA-N 0 1 387.492 0.895 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nnn[n-]2)nn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574155474 950191539 /nfs/dbraw/zinc/19/15/39/950191539.db2.gz LVMAVUOEOMYXBO-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)C[C@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574155474 950191550 /nfs/dbraw/zinc/19/15/50/950191550.db2.gz LVMAVUOEOMYXBO-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576191574 950199774 /nfs/dbraw/zinc/19/97/74/950199774.db2.gz IMRDUMMORSHWPP-MNOVXSKESA-N 0 1 385.407 0.756 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)Cc1cccnc1 ZINC001574155600 950203419 /nfs/dbraw/zinc/20/34/19/950203419.db2.gz OPIRXOFRGKDAQQ-AWEZNQCLSA-N 0 1 381.444 0.659 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[nH]n2)nn1)NC(=O)CCc1c[nH]nn1 ZINC001574155731 950206224 /nfs/dbraw/zinc/20/62/24/950206224.db2.gz QZOXGLXAJUDZKE-LBPRGKRZSA-N 0 1 385.436 0.350 20 0 GCADMN CC(C)C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@H]1CCCOCC1 ZINC001574155682 950208340 /nfs/dbraw/zinc/20/83/40/950208340.db2.gz QBTVGPYTXCWTFS-KBPBESRZSA-N 0 1 388.476 0.838 20 0 GCADMN CC(C)C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)NC(=O)[C@@H]1CCCOCC1 ZINC001574155685 950208868 /nfs/dbraw/zinc/20/88/68/950208868.db2.gz QBTVGPYTXCWTFS-ZIAGYGMSSA-N 0 1 388.476 0.838 20 0 GCADMN C[C@@H](CC(=O)NC[C@H](Nc1ccnc(-c2nn[nH]n2)n1)C1CC1)n1cccc1 ZINC001574496105 950212099 /nfs/dbraw/zinc/21/20/99/950212099.db2.gz VPUVCEPLRKQFIL-JSGCOSHPSA-N 0 1 381.444 0.838 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@H+](C)C(C)C ZINC001574156035 950222134 /nfs/dbraw/zinc/22/21/34/950222134.db2.gz UVMJLRNZYVWWRH-ZDUSSCGKSA-N 0 1 375.481 0.940 20 0 GCADMN CC(C)C[C@@H](CNc1ccc(-c2nn[n-]n2)nn1)NC(=O)C[N@@H+](C)C(C)C ZINC001574156035 950222149 /nfs/dbraw/zinc/22/21/49/950222149.db2.gz UVMJLRNZYVWWRH-ZDUSSCGKSA-N 0 1 375.481 0.940 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccn(C)n2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192166 950228682 /nfs/dbraw/zinc/22/86/82/950228682.db2.gz KFRQQNUUNCWSJK-STQMWFEESA-N 0 1 381.444 0.627 20 0 GCADMN CC(C)(C)CNC(=O)CN1CC[C@@H](CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573845534 950231379 /nfs/dbraw/zinc/23/13/79/950231379.db2.gz GLEMTXQWWHQFRE-LBPRGKRZSA-N 0 1 388.476 0.409 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccn[nH]2)C[C@H]1CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001576192286 950236364 /nfs/dbraw/zinc/23/63/64/950236364.db2.gz NCKVLKIKUWBGKD-CMPLNLGQSA-N 0 1 383.416 0.446 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001574157460 950238559 /nfs/dbraw/zinc/23/85/59/950238559.db2.gz BRPATYMYBWVRKG-CHWSQXEVSA-N 0 1 386.460 0.105 20 0 GCADMN C[C@H]1CCN(C(=O)c2csnn2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192333 950239293 /nfs/dbraw/zinc/23/92/93/950239293.db2.gz LVNSKURRUKZZKC-WDEREUQCSA-N 0 1 385.457 0.745 20 0 GCADMN C[C@H]1[C@@H](NCC(=O)Nc2ccon2)CCN1C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575901865 950241003 /nfs/dbraw/zinc/24/10/03/950241003.db2.gz QXEXEJALTHEQTM-ONGXEEELSA-N 0 1 385.388 0.014 20 0 GCADMN C[C@@H]1CCN(C(=O)c2n[nH]cc2F)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192369 950244964 /nfs/dbraw/zinc/24/49/64/950244964.db2.gz MCNMOKYHOYCGSS-GHMZBOCLSA-N 0 1 385.407 0.756 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192534 950253804 /nfs/dbraw/zinc/25/38/04/950253804.db2.gz NGGKXWNAHYHARX-OCCSQVGLSA-N 0 1 379.428 0.684 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)NC(=O)C1CC[NH+](C)CC1 ZINC001574157893 950260371 /nfs/dbraw/zinc/26/03/71/950260371.db2.gz KUPVQXQKYTZJHM-AWEZNQCLSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C1CC[NH+](C)CC1 ZINC001574157893 950260387 /nfs/dbraw/zinc/26/03/87/950260387.db2.gz KUPVQXQKYTZJHM-AWEZNQCLSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574157924 950261753 /nfs/dbraw/zinc/26/17/53/950261753.db2.gz LEUCFICOEOLJCE-XIKOKIGWSA-N 0 1 386.460 0.295 20 0 GCADMN CC(C)C[C@@H](CNc1ccncc1-c1nn[nH]n1)NC(=O)[C@]1(C)CCC(=O)N1 ZINC001574157923 950263327 /nfs/dbraw/zinc/26/33/27/950263327.db2.gz LEUCFICOEOLJCE-SGTLLEGYSA-N 0 1 386.460 0.295 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccn[nH]2)C[C@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576192751 950264462 /nfs/dbraw/zinc/26/44/62/950264462.db2.gz QRJRWUGICDMPCP-WDEREUQCSA-N 0 1 383.416 0.446 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccn[nH]2)C[C@@H]1CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001576192750 950265972 /nfs/dbraw/zinc/26/59/72/950265972.db2.gz QRJRWUGICDMPCP-QWRGUYRKSA-N 0 1 383.416 0.446 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576192802 950266175 /nfs/dbraw/zinc/26/61/75/950266175.db2.gz PFBKONLZIOHFIG-AAEUAGOBSA-N 0 1 380.416 0.079 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnnn2C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576192807 950268173 /nfs/dbraw/zinc/26/81/73/950268173.db2.gz PFRNGTKSPYPYOG-NWDGAFQWSA-N 0 1 382.432 0.022 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574158215 950272512 /nfs/dbraw/zinc/27/25/12/950272512.db2.gz OYTMLPGIWNLAGQ-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574158215 950272544 /nfs/dbraw/zinc/27/25/44/950272544.db2.gz OYTMLPGIWNLAGQ-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC1(C(=O)NCCN2CCC(NC(=O)c3ccc(-c4nn[nH]n4)[nH]3)CC2)CC1 ZINC001575592253 950283522 /nfs/dbraw/zinc/28/35/22/950283522.db2.gz FJNGCHJOIQKMKK-UHFFFAOYSA-N 0 1 386.460 0.305 20 0 GCADMN C[C@H]1CCN(C(=O)c2cnn(C)c2)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001576193311 950293227 /nfs/dbraw/zinc/29/32/27/950293227.db2.gz SLVMWZKKFFZVKA-QWHCGFSZSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576193705 950310759 /nfs/dbraw/zinc/31/07/59/950310759.db2.gz VLFOVHRXATWXLM-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3ccc(-c4nn[n-]n4)nn3)CC2)C1 ZINC001576193705 950310779 /nfs/dbraw/zinc/31/07/79/950310779.db2.gz VLFOVHRXATWXLM-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H](CC(=O)NC[C@@H](O)CNc1ccnc(-c2nn[nH]n2)n1)C1CCCCC1 ZINC001574500277 950313211 /nfs/dbraw/zinc/31/32/11/950313211.db2.gz ZGRBSMQWZSVLQG-JSGCOSHPSA-N 0 1 388.476 0.574 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193916 950316361 /nfs/dbraw/zinc/31/63/61/950316361.db2.gz WAPOFYZPOYRHAO-JSGCOSHPSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccn(C)c2)C[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193915 950319918 /nfs/dbraw/zinc/31/99/18/950319918.db2.gz WAPOFYZPOYRHAO-GXTWGEPZSA-N 0 1 381.444 0.627 20 0 GCADMN C[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001576193984 950321993 /nfs/dbraw/zinc/32/19/93/950321993.db2.gz WYONUFJISRVCMR-RYUDHWBXSA-N 0 1 380.416 0.079 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576194255 950330121 /nfs/dbraw/zinc/33/01/21/950330121.db2.gz YLUZIJIABCTBHV-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3cncc(-c4nnn[n-]4)n3)CC2)C1 ZINC001576194255 950330136 /nfs/dbraw/zinc/33/01/36/950330136.db2.gz YLUZIJIABCTBHV-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576194255 950330157 /nfs/dbraw/zinc/33/01/57/950330157.db2.gz YLUZIJIABCTBHV-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCN(c3cncc(-c4nn[n-]n4)n3)CC2)C1 ZINC001576194255 950330174 /nfs/dbraw/zinc/33/01/74/950330174.db2.gz YLUZIJIABCTBHV-CYBMUJFWSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cncn1 ZINC001575907425 950332601 /nfs/dbraw/zinc/33/26/01/950332601.db2.gz OOBNYDFBTKWOIZ-DGCLKSJQSA-N 0 1 387.473 0.689 20 0 GCADMN C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cncn1 ZINC001575907425 950332622 /nfs/dbraw/zinc/33/26/22/950332622.db2.gz OOBNYDFBTKWOIZ-DGCLKSJQSA-N 0 1 387.473 0.689 20 0 GCADMN C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)c1cnc[nH]c1=O ZINC001575907393 950334966 /nfs/dbraw/zinc/33/49/66/950334966.db2.gz OBJFUICLNOXWFE-CABZTGNLSA-N 0 1 386.441 0.817 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nnn[n-]2)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574160596 950342414 /nfs/dbraw/zinc/34/24/14/950342414.db2.gz OUOFGUYKEUULFS-ZDUSSCGKSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1cncc(-c2nn[n-]n2)n1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001574160596 950342436 /nfs/dbraw/zinc/34/24/36/950342436.db2.gz OUOFGUYKEUULFS-ZDUSSCGKSA-N 0 1 387.492 0.941 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576196196 950355659 /nfs/dbraw/zinc/35/56/59/950355659.db2.gz AFRMPAKWOBUVSY-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2CNc2cnc(-c3nn[n-]n3)cn2)C1 ZINC001576196196 950355675 /nfs/dbraw/zinc/35/56/75/950355675.db2.gz AFRMPAKWOBUVSY-KBPBESRZSA-N 0 1 385.476 0.792 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCN1C(=O)CCn1cnnn1 ZINC001575908276 950358489 /nfs/dbraw/zinc/35/84/89/950358489.db2.gz UAADZJMMJARYFN-CMPLNLGQSA-N 0 1 388.461 0.084 20 0 GCADMN C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[n-]n3)s2)CCN1C(=O)CCn1cnnn1 ZINC001575908276 950358506 /nfs/dbraw/zinc/35/85/06/950358506.db2.gz UAADZJMMJARYFN-CMPLNLGQSA-N 0 1 388.461 0.084 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196443 950360202 /nfs/dbraw/zinc/36/02/02/950360202.db2.gz DUCOMZZHRXHZNU-ACJLOTCBSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576196443 950360216 /nfs/dbraw/zinc/36/02/16/950360216.db2.gz DUCOMZZHRXHZNU-ACJLOTCBSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196443 950360243 /nfs/dbraw/zinc/36/02/43/950360243.db2.gz DUCOMZZHRXHZNU-ACJLOTCBSA-N 0 1 385.476 0.649 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@](C)(CNc3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576196443 950360264 /nfs/dbraw/zinc/36/02/64/950360264.db2.gz DUCOMZZHRXHZNU-ACJLOTCBSA-N 0 1 385.476 0.649 20 0 GCADMN CC1CC[NH+](CC(=O)N2CC[C@H](CNc3ccnc(-c4nn[n-]n4)n3)C2)CC1 ZINC001576196395 950360938 /nfs/dbraw/zinc/36/09/38/950360938.db2.gz CINUCLFUTBXFMI-CQSZACIVSA-N 0 1 385.476 0.071 20 0 GCADMN C[C@@H]1[C@H](NCc2cc3n(n2)CCC3)CCN1C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001575908841 950378681 /nfs/dbraw/zinc/37/86/81/950378681.db2.gz WCZCDPHIZAKGGG-IAQYHMDHSA-N 0 1 381.444 0.730 20 0 GCADMN 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C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576197456 950398380 /nfs/dbraw/zinc/39/83/80/950398380.db2.gz OLYAIUJLUAMQSN-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nnn[n-]3)n2)C1 ZINC001576197456 950398406 /nfs/dbraw/zinc/39/84/06/950398406.db2.gz OLYAIUJLUAMQSN-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576197456 950398433 /nfs/dbraw/zinc/39/84/33/950398433.db2.gz OLYAIUJLUAMQSN-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2CN(C)c2cncc(-c3nn[n-]n3)n2)C1 ZINC001576197456 950398450 /nfs/dbraw/zinc/39/84/50/950398450.db2.gz OLYAIUJLUAMQSN-KBPBESRZSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@]1(C(=O)NC/C=C\C[NH2+]Cc2ccc(-c3nnn[n-]3)s2)CCNC(=O)C1 ZINC001575597239 950403047 /nfs/dbraw/zinc/40/30/47/950403047.db2.gz ZSFMFKMJBAKWKS-KYVUIXNKSA-N 0 1 389.485 0.607 20 0 GCADMN 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/nfs/dbraw/zinc/41/05/44/950410544.db2.gz SPPNDXIADPZALI-HIFRSBDPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576198793 950413783 /nfs/dbraw/zinc/41/37/83/950413783.db2.gz VFRQSVZLODVOMX-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3cncc(-c4nnn[n-]4)n3)C2)C1 ZINC001576198793 950413791 /nfs/dbraw/zinc/41/37/91/950413791.db2.gz VFRQSVZLODVOMX-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576198793 950413802 /nfs/dbraw/zinc/41/38/02/950413802.db2.gz VFRQSVZLODVOMX-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3cncc(-c4nn[n-]n4)n3)C2)C1 ZINC001576198793 950413814 /nfs/dbraw/zinc/41/38/14/950413814.db2.gz VFRQSVZLODVOMX-KGLIPLIRSA-N 0 1 385.476 0.283 20 0 GCADMN C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576199449 950422620 /nfs/dbraw/zinc/42/26/20/950422620.db2.gz YWGYTMOGXUDKNX-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3ccc(-c4nn[n-]n4)nn3)C2)C1 ZINC001576199449 950422629 /nfs/dbraw/zinc/42/26/29/950422629.db2.gz YWGYTMOGXUDKNX-ZIAGYGMSSA-N 0 1 385.476 0.426 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc(C2CC2)nn1C)Nc1ccncc1-c1nn[nH]n1 ZINC001574747877 950422856 /nfs/dbraw/zinc/42/28/56/950422856.db2.gz ZLKZGTKHERFFFA-NSHDSACASA-N 0 1 381.444 0.867 20 0 GCADMN C[C@H](CC(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574504007 950424008 /nfs/dbraw/zinc/42/40/08/950424008.db2.gz ZGIBOLYRXDVMFO-OLZOCXBDSA-N 0 1 382.432 0.447 20 0 GCADMN C[C@H](CC(=O)NC[C@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001574504006 950424179 /nfs/dbraw/zinc/42/41/79/950424179.db2.gz ZGIBOLYRXDVMFO-CHWSQXEVSA-N 0 1 382.432 0.447 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574163430 950428115 /nfs/dbraw/zinc/42/81/15/950428115.db2.gz URXIABNSHIAEEV-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN CC(C)C[C@H](CNc1nccnc1-c1nn[n-]n1)NC(=O)C12CC[NH+](CC1)C2 ZINC001574163430 950428127 /nfs/dbraw/zinc/42/81/27/950428127.db2.gz URXIABNSHIAEEV-CYBMUJFWSA-N 0 1 385.476 0.695 20 0 GCADMN C[C@]1(C(=O)N[C@@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C2)CCC(=O)NC1 ZINC001575599596 950430825 /nfs/dbraw/zinc/43/08/25/950430825.db2.gz NIAGIFNIRBRSRK-BEFAXECRSA-N 0 1 383.456 0.474 20 0 GCADMN C[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)CCC(=O)NC1 ZINC001575599545 950433509 /nfs/dbraw/zinc/43/35/09/950433509.db2.gz LQAYMLAWWAGURV-DNVCBOLYSA-N 0 1 383.456 0.474 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001574163830 950439036 /nfs/dbraw/zinc/43/90/36/950439036.db2.gz ZCGGVYFOBNUMPJ-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN CC(C)C[C@@H](CNc1nccnc1-c1nnn[n-]1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001574163830 950439051 /nfs/dbraw/zinc/43/90/51/950439051.db2.gz ZCGGVYFOBNUMPJ-KBPBESRZSA-N 0 1 387.492 0.941 20 0 GCADMN 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C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3cncc(-c4nn[n-]n4)n3)[C@H](C)C2)C1 ZINC001576203252 950439696 /nfs/dbraw/zinc/43/96/96/950439696.db2.gz FTSIMCMUPMOVJD-MGPQQGTHSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H](CNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)NCC(=O)Nc1cccc(F)c1 ZINC001574992435 950445819 /nfs/dbraw/zinc/44/58/19/950445819.db2.gz CHYXHDXNRVXICJ-JTQLQIEISA-N 0 1 386.391 0.681 20 0 GCADMN CC1CCN(CC(=O)N[C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001576203353 950445953 /nfs/dbraw/zinc/44/59/53/950445953.db2.gz GVRDZJJMSJINAR-CYBMUJFWSA-N 0 1 386.460 0.257 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751797 950465234 /nfs/dbraw/zinc/46/52/34/950465234.db2.gz RFBBDVWGXHGQLU-NSHDSACASA-N 0 1 381.444 0.858 20 0 GCADMN C[C@H](CN(C)C(=O)c1cc2c([nH]1)CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574751795 950466003 /nfs/dbraw/zinc/46/60/03/950466003.db2.gz RFBBDVWGXHGQLU-LLVKDONJSA-N 0 1 381.444 0.858 20 0 GCADMN 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ZMRUDNZLZAJLFP-UONOGXRCSA-N 0 1 385.476 0.356 20 0 GCADMN C[C@@H]1CCn2cc(C(=O)NCCN(C)c3ccncc3-c3nn[nH]n3)nc2C1 ZINC001576216403 950734242 /nfs/dbraw/zinc/73/42/42/950734242.db2.gz JAHSICWFVFZNQD-GFCCVEGCSA-N 0 1 381.444 0.907 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnn(C(F)F)c1)Nc1ccncc1-c1nn[nH]n1 ZINC001574763876 950739598 /nfs/dbraw/zinc/73/95/98/950739598.db2.gz MVABURUMELQQNW-VIFPVBQESA-N 0 1 377.359 0.848 20 0 GCADMN C[C@@H]1[C@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccc(C(N)=O)o1 ZINC001575927231 950740532 /nfs/dbraw/zinc/74/05/32/950740532.db2.gz ONIGXEPSQNYVGR-MWLCHTKSSA-N 0 1 382.384 0.091 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)c1ccn(C)c(=O)c1 ZINC001575927328 950741046 /nfs/dbraw/zinc/74/10/46/950741046.db2.gz PBQYNRTWGNYTNB-RISCZKNCSA-N 0 1 380.412 0.097 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N(C)C[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574181435 950742886 /nfs/dbraw/zinc/74/28/86/950742886.db2.gz NAALFRWEMJDVKE-ZDUSSCGKSA-N 0 1 388.476 0.495 20 0 GCADMN C[C@@H](CN(C)C(=O)c1cnc2n1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574764181 950746782 /nfs/dbraw/zinc/74/67/82/950746782.db2.gz QRCNUMNYYQEREA-NSHDSACASA-N 0 1 382.432 0.184 20 0 GCADMN CC(C)CCC(=O)NCC(=O)N[C@@H](C)[C@H](C)Nc1ccncc1-c1nn[nH]n1 ZINC001574182490 950762294 /nfs/dbraw/zinc/76/22/94/950762294.db2.gz WSTZJZUFZAEXDQ-STQMWFEESA-N 0 1 388.476 0.541 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001574521071 950766678 /nfs/dbraw/zinc/76/66/78/950766678.db2.gz CUWXYQMOAODZSY-ZJUUUORDSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)CCNC(N)=O)[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001574521071 950766689 /nfs/dbraw/zinc/76/66/89/950766689.db2.gz CUWXYQMOAODZSY-ZJUUUORDSA-N 0 1 380.478 0.360 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1cncnc1 ZINC001575928077 950772521 /nfs/dbraw/zinc/77/25/21/950772521.db2.gz YKNDDGBMYJJBBE-DOMZBBRYSA-N 0 1 379.428 0.508 20 0 GCADMN CC(C)(C)c1n[nH]cc1C(=O)N1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573884085 950781677 /nfs/dbraw/zinc/78/16/77/950781677.db2.gz HEBCTQOXUHIDRG-UHFFFAOYSA-N 0 1 382.432 0.640 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)CC[C@H](C)C2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001576218331 950785319 /nfs/dbraw/zinc/78/53/19/950785319.db2.gz QUYMCBMRAOKFFL-WDEREUQCSA-N 0 1 382.432 0.088 20 0 GCADMN C[C@H](CN(C)C(=O)c1ncsc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574765528 950791303 /nfs/dbraw/zinc/79/13/03/950791303.db2.gz DNKIKASLTLHTSE-SECBINFHSA-N 0 1 385.457 0.985 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001575009743 950794832 /nfs/dbraw/zinc/79/48/32/950794832.db2.gz WEIMBONMSUBPPW-GMTAPVOTSA-N 0 1 383.416 0.204 20 0 GCADMN CC(C)(C)c1nc[nH]c1C(=O)NCC1(Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001573884572 950796206 /nfs/dbraw/zinc/79/62/06/950796206.db2.gz FQUMHCRSECDFQP-UHFFFAOYSA-N 0 1 382.432 0.474 20 0 GCADMN CC(C)(C)c1n[nH]cc1C(=O)N1CC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573884437 950796496 /nfs/dbraw/zinc/79/64/96/950796496.db2.gz MUHHPBDZWTXPFY-JTQLQIEISA-N 0 1 382.432 0.426 20 0 GCADMN C[C@@H](CN(C)[C@H]1CCN(C(C)(C)C)C1=O)NC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001574765889 950800393 /nfs/dbraw/zinc/80/03/93/950800393.db2.gz FTRNMVDVXTWMKL-FZMZJTMJSA-N 0 1 388.476 0.644 20 0 GCADMN CC(C)(C)c1nc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)co1 ZINC001573884740 950806079 /nfs/dbraw/zinc/80/60/79/950806079.db2.gz OICIXPREAJRPJF-UHFFFAOYSA-N 0 1 383.416 0.905 20 0 GCADMN C[C@@H](CN(C)C(=O)c1ncc2n1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001574766183 950813581 /nfs/dbraw/zinc/81/35/81/950813581.db2.gz LLYYPQRBYSYYDW-LBPRGKRZSA-N 0 1 381.444 0.789 20 0 GCADMN C[C@H](CN(C)C(=O)c1scnc1C1CC1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766610 950820102 /nfs/dbraw/zinc/82/01/02/950820102.db2.gz JTIAMXOUGIXZNW-SECBINFHSA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576219957 950821405 /nfs/dbraw/zinc/82/14/05/950821405.db2.gz PIAXSIZUARPMLD-STQMWFEESA-N 0 1 385.476 0.212 20 0 GCADMN C[C@H](CN(C)C(=O)c1n[nH]c2c1CCCC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001574766807 950826528 /nfs/dbraw/zinc/82/65/28/950826528.db2.gz MKYDECRITPBAFA-SNVBAGLBSA-N 0 1 382.432 0.253 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)[C@H]1CCN(C2CCC2)C1=O ZINC001575010615 950827569 /nfs/dbraw/zinc/82/75/69/950827569.db2.gz GQFCBWRFKKXERT-NHYWBVRUSA-N 0 1 386.460 0.398 20 0 GCADMN C[C@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)N(C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC001575010813 950829240 /nfs/dbraw/zinc/82/92/40/950829240.db2.gz JFDJMEIFXYVESF-BXUZGUMPSA-N 0 1 388.476 0.644 20 0 GCADMN C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)CCc1c[nH]nn1 ZINC001575933673 950846273 /nfs/dbraw/zinc/84/62/73/950846273.db2.gz PFOZOBYYAFKYOI-ZANVPECISA-N 0 1 386.395 0.553 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1cncc(-c2nnn[n-]2)n1 ZINC001576221102 950848056 /nfs/dbraw/zinc/84/80/56/950848056.db2.gz SKCPJQSPEFRXOJ-OCCSQVGLSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1Nc1cncc(-c2nn[n-]n2)n1 ZINC001576221102 950848080 /nfs/dbraw/zinc/84/80/80/950848080.db2.gz SKCPJQSPEFRXOJ-OCCSQVGLSA-N 0 1 385.476 0.790 20 0 GCADMN C[C@H]1[C@@H](Nc2ncc(-c3nn[nH]n3)cc2F)CCN1C(=O)C1=NC(=O)N(C)C1 ZINC001575934385 950856667 /nfs/dbraw/zinc/85/66/67/950856667.db2.gz RBHKIRBDOSAHCJ-KWQFWETISA-N 0 1 387.379 0.555 20 0 GCADMN CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001573887985 950862530 /nfs/dbraw/zinc/86/25/30/950862530.db2.gz MHISRBCJZLNNGB-SNVBAGLBSA-N 0 1 383.416 0.691 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576225903 950870755 /nfs/dbraw/zinc/87/07/55/950870755.db2.gz ABYJIWFQSHRQGH-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576225903 950870772 /nfs/dbraw/zinc/87/07/72/950870772.db2.gz ABYJIWFQSHRQGH-GXTWGEPZSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1ccc(-c2nnn[n-]2)nn1 ZINC001576225906 950875156 /nfs/dbraw/zinc/87/51/56/950875156.db2.gz ABYJIWFQSHRQGH-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1Nc1ccc(-c2nn[n-]n2)nn1 ZINC001576225906 950875175 /nfs/dbraw/zinc/87/51/75/950875175.db2.gz ABYJIWFQSHRQGH-JSGCOSHPSA-N 0 1 385.476 0.647 20 0 GCADMN CC(C)(C)n1ncnc1CN[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)C1 ZINC001573893421 950883199 /nfs/dbraw/zinc/88/31/99/950883199.db2.gz FKRCDKZNSKLRHP-HAQNSBGRSA-N 0 1 384.448 0.592 20 0 GCADMN C[C@H](C[C@H](C)NC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCc1nnnn1C1CC1 ZINC001574527403 950887526 /nfs/dbraw/zinc/88/75/26/950887526.db2.gz BDOPZXHRLKRVBQ-ZJUUUORDSA-N 0 1 385.436 0.203 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nnn[n-]2)s1)NC(=O)c1cnn(C)n1 ZINC001574527568 950897344 /nfs/dbraw/zinc/89/73/44/950897344.db2.gz DMHRYVMYRBZBNX-NXEZZACHSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[n-]n2)s1)NC(=O)c1cnn(C)n1 ZINC001574527568 950897361 /nfs/dbraw/zinc/89/73/61/950897361.db2.gz DMHRYVMYRBZBNX-NXEZZACHSA-N 0 1 375.462 0.743 20 0 GCADMN C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CNc1ccc(-c2nn[n-]n2)nn1 ZINC001576227088 950900040 /nfs/dbraw/zinc/90/00/40/950900040.db2.gz BITNPRTXVGLYDX-OLZOCXBDSA-N 0 1 385.476 0.647 20 0 GCADMN C[C@H]1[C@H](Nc2nccnc2-c2nnn[n-]2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575936179 950906097 /nfs/dbraw/zinc/90/60/97/950906097.db2.gz CPEDYWLPZUUSNS-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN C[C@H]1[C@H](Nc2nccnc2-c2nn[n-]n2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001575936179 950906110 /nfs/dbraw/zinc/90/61/10/950906110.db2.gz CPEDYWLPZUUSNS-UONOGXRCSA-N 0 1 385.476 0.934 20 0 GCADMN CC(C)(C)n1cc(CN[C@H]2C[C@@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 ZINC001573893894 950908771 /nfs/dbraw/zinc/90/87/71/950908771.db2.gz AVQVSYYEBQUJPT-TXEJJXNPSA-N 0 1 384.448 0.592 20 0 GCADMN CC(C)(C)n1cc(CN[C@H]2C[C@H](NC(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)nn1 ZINC001573893893 950909073 /nfs/dbraw/zinc/90/90/73/950909073.db2.gz AVQVSYYEBQUJPT-HAQNSBGRSA-N 0 1 384.448 0.592 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CNc1nccnc1-c1nnn[n-]1 ZINC001576228683 950953312 /nfs/dbraw/zinc/95/33/12/950953312.db2.gz IJLPGEHHLXMVNY-OLZOCXBDSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1CNc1nccnc1-c1nn[n-]n1 ZINC001576228683 950953330 /nfs/dbraw/zinc/95/33/30/950953330.db2.gz IJLPGEHHLXMVNY-OLZOCXBDSA-N 0 1 385.476 0.505 20 0 GCADMN C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1Nc1ccnc(-c2nn[n-]n2)n1 ZINC001576229032 950958006 /nfs/dbraw/zinc/95/80/06/950958006.db2.gz IMFNLLNQPGZTMD-STQMWFEESA-N 0 1 385.476 0.212 20 0 GCADMN CC1(C)C[C@@H](NC(=O)[C@H]2CCCO2)CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001575643104 950960077 /nfs/dbraw/zinc/96/00/77/950960077.db2.gz XXWIYLYICQUVCD-QWHCGFSZSA-N 0 1 386.460 0.947 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1)NCC(=O)Nc1ccc(F)cc1 ZINC001575017483 950995643 /nfs/dbraw/zinc/99/56/43/950995643.db2.gz KRQCSGLCPQAHOP-JTQLQIEISA-N 0 1 386.391 0.681 20 0 GCADMN CC(C)(CC(F)(F)F)C(=O)NC[C@@H](CO)Nc1ccncc1-c1nn[nH]n1 ZINC001573900216 950998387 /nfs/dbraw/zinc/99/83/87/950998387.db2.gz VXJSBLQBAQUJGX-VIFPVBQESA-N 0 1 387.366 0.551 20 0 GCADMN C[C@H](CN(C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1COCCO1 ZINC001574774448 951001132 /nfs/dbraw/zinc/00/11/32/951001132.db2.gz CQNQNKKJVRZZCE-ABAIWWIYSA-N 0 1 378.408 0.358 20 0 GCADMN C[C@H]1C[C@H](C(=O)N(C)CC(C)(C)CNc2ccnc(-c3nn[nH]n3)n2)CCO1 ZINC001575939107 951005464 /nfs/dbraw/zinc/00/54/64/951005464.db2.gz PAEILLRMZMTILC-QWHCGFSZSA-N 0 1 388.476 0.790 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(=O)n(C)n1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575017712 951009891 /nfs/dbraw/zinc/00/98/91/951009891.db2.gz JCTIYOUYCVHLLR-JTQLQIEISA-N 0 1 386.391 0.008 20 0 GCADMN C[C@H](CNC(=O)c1ccc(=O)n(C)n1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575018110 951016666 /nfs/dbraw/zinc/01/66/66/951016666.db2.gz KSIIPAMIAQJHNI-SNVBAGLBSA-N 0 1 386.391 0.008 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(F)F)nc1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575019281 951035032 /nfs/dbraw/zinc/03/50/32/951035032.db2.gz SGSWXZRUEPQREO-SECBINFHSA-N 0 1 389.370 0.889 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)cc1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575019407 951037828 /nfs/dbraw/zinc/03/78/28/951037828.db2.gz SVDNBFIRAONLRN-SNVBAGLBSA-N 0 1 381.400 0.010 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575019494 951041574 /nfs/dbraw/zinc/04/15/74/951041574.db2.gz TZOXQUXHGHYYPD-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@@H](CNC(=O)c1ccc(C(N)=O)[nH]1)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575019494 951041584 /nfs/dbraw/zinc/04/15/84/951041584.db2.gz TZOXQUXHGHYYPD-VIFPVBQESA-N 0 1 388.457 0.606 20 0 GCADMN C[C@H](CNC(=O)c1ccc(C(N)=O)o1)NCc1ccc(-c2nn[nH]n2)cc1F ZINC001575022032 951068579 /nfs/dbraw/zinc/06/85/79/951068579.db2.gz GEYFTIBGGJNQOI-SECBINFHSA-N 0 1 387.375 0.606 20 0 GCADMN C[C@H](CNC(=O)c1ccc(F)c(F)c1F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575023243 951077014 /nfs/dbraw/zinc/07/70/14/951077014.db2.gz LELBXNCLXYCAIO-QMMMGPOBSA-N 0 1 392.345 0.974 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)CCO2)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575024415 951101398 /nfs/dbraw/zinc/10/13/98/951101398.db2.gz DEIUTLHJJVJVMW-LLVKDONJSA-N 0 1 380.412 0.846 20 0 GCADMN C[C@H](CNC(=O)c1ccc2c(c1)CCOC2)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575024743 951114753 /nfs/dbraw/zinc/11/47/53/951114753.db2.gz LTHWSGGFXSFXRW-LLVKDONJSA-N 0 1 380.412 0.382 20 0 GCADMN CC(C)Oc1ccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)nc1 ZINC001575024882 951117280 /nfs/dbraw/zinc/11/72/80/951117280.db2.gz OTRWBQIXHOQEOX-NSHDSACASA-N 0 1 383.416 0.491 20 0 GCADMN O=C([O-])CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CO1 ZINC001595002085 951142849 /nfs/dbraw/zinc/14/28/49/951142849.db2.gz ROJFOGVZQZDZKY-IXDOHACOSA-N 0 1 383.489 0.169 20 0 GCADMN C[C@H](CNC(=O)c1ccc2nccn2c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575026405 951143686 /nfs/dbraw/zinc/14/36/86/951143686.db2.gz JAKBGPZYFUUYHM-NSHDSACASA-N 0 1 378.400 0.204 20 0 GCADMN CC(C)Oc1cccc(C(=O)NC[C@@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001575026866 951147870 /nfs/dbraw/zinc/14/78/70/951147870.db2.gz AACFLBRYECIYNQ-LLVKDONJSA-N 0 1 383.416 0.491 20 0 GCADMN CC(C)Oc1cccc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001575026867 951148451 /nfs/dbraw/zinc/14/84/51/951148451.db2.gz AACFLBRYECIYNQ-NSHDSACASA-N 0 1 383.416 0.491 20 0 GCADMN C[C@H](CNC(=O)c1cccc(C(N)=O)c1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575027511 951157902 /nfs/dbraw/zinc/15/79/02/951157902.db2.gz RAPYFHDWEAUMLZ-SNVBAGLBSA-N 0 1 381.400 0.010 20 0 GCADMN C[C@@H](CNC(=O)c1cccc2scnc21)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575027980 951164406 /nfs/dbraw/zinc/16/44/06/951164406.db2.gz KIAYNOBPQWWAKY-VIFPVBQESA-N 0 1 381.425 0.919 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(=O)n1C)[N@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575029006 951180040 /nfs/dbraw/zinc/18/00/40/951180040.db2.gz YESWHAYISDQVCZ-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1cccc(=O)n1C)[N@@H+](C)Cc1ccc(-c2nnn[n-]2)s1 ZINC001575029006 951180048 /nfs/dbraw/zinc/18/00/48/951180048.db2.gz YESWHAYISDQVCZ-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](CNC(=O)c1cccnc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575031456 951193452 /nfs/dbraw/zinc/19/34/52/951193452.db2.gz AJLQWQAEUIIOAW-LLVKDONJSA-N 0 1 379.428 0.829 20 0 GCADMN C[C@@H](CNC(=O)c1cccn2ccnc12)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575031595 951198853 /nfs/dbraw/zinc/19/88/53/951198853.db2.gz FAYFHHHOIQIMLF-NSHDSACASA-N 0 1 378.400 0.559 20 0 GCADMN C[C@@H](CNC(=O)c1cccnc1N(C)C)CNc1ccncc1-c1nn[nH]n1 ZINC001575032047 951212614 /nfs/dbraw/zinc/21/26/14/951212614.db2.gz OZGJULJLTJFQQJ-GFCCVEGCSA-N 0 1 381.444 0.623 20 0 GCADMN CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccn(CC(=O)[O-])c2=O)[C@H](C)C1 ZINC001591876834 951229137 /nfs/dbraw/zinc/22/91/37/951229137.db2.gz FNQVKVQTEQNRPX-GDBMZVCRSA-N 0 1 379.457 0.800 20 0 GCADMN C[C@@H](CNC(=O)c1ccn(C(C)(C)C)n1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575036008 951289856 /nfs/dbraw/zinc/28/98/56/951289856.db2.gz OMZRZXVKTMPPON-LLVKDONJSA-N 0 1 384.448 0.508 20 0 GCADMN C[C@H](CNC(=O)c1ccnc(N(C)C)c1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575036667 951296956 /nfs/dbraw/zinc/29/69/56/951296956.db2.gz VMBNBOCFSIAECQ-NSHDSACASA-N 0 1 382.432 0.018 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575041763 951349929 /nfs/dbraw/zinc/34/99/29/951349929.db2.gz BNKGGBJLYBNERA-QMMMGPOBSA-N 0 1 392.374 0.228 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)cn1)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575042177 951355506 /nfs/dbraw/zinc/35/55/06/951355506.db2.gz GUJPYLZHLBHZBC-SSDOTTSWSA-N 0 1 381.853 0.965 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccncc1-c1nn[nH]n1 ZINC001575042273 951357979 /nfs/dbraw/zinc/35/79/79/951357979.db2.gz HWJHVFSGESIJPG-NSHDSACASA-N 0 1 381.444 0.773 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575042921 951377082 /nfs/dbraw/zinc/37/70/82/951377082.db2.gz NDNLJYJSRXRGCM-JTQLQIEISA-N 0 1 382.432 0.168 20 0 GCADMN C[C@H](CNC(=O)c1cn2c(n1)COCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575043152 951382214 /nfs/dbraw/zinc/38/22/14/951382214.db2.gz GHCIFEGFYRFXAH-LLVKDONJSA-N 0 1 383.416 0.243 20 0 GCADMN C[C@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575043489 951392664 /nfs/dbraw/zinc/39/26/64/951392664.db2.gz RYFLMCGRVXEDJF-VIFPVBQESA-N 0 1 391.386 0.833 20 0 GCADMN C[C@@H](CNC(=O)c1cn(C)nc1C(F)F)CNc1ccncc1-c1nn[nH]n1 ZINC001575043488 951394602 /nfs/dbraw/zinc/39/46/02/951394602.db2.gz RYFLMCGRVXEDJF-SECBINFHSA-N 0 1 391.386 0.833 20 0 GCADMN C[C@H](CNC(=O)c1cnc(CC2CC2)s1)Nc1ccnc(-c2nn[nH]n2)n1 ZINC001575043667 951399557 /nfs/dbraw/zinc/39/95/57/951399557.db2.gz LMYDGNXQINFOGO-SECBINFHSA-N 0 1 385.457 0.718 20 0 GCADMN C[C@H](CNC(=O)c1cn[nH]c(=O)c1)Nc1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575044808 951417852 /nfs/dbraw/zinc/41/78/52/951417852.db2.gz VLEDULDPMGBWTG-RXMQYKEDSA-N 0 1 381.809 0.703 20 0 GCADMN C[C@@H](CNC(=O)c1cnc2n1CCCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575045739 951432858 /nfs/dbraw/zinc/43/28/58/951432858.db2.gz GJWUBKLDGRSGQO-LBPRGKRZSA-N 0 1 381.444 0.837 20 0 GCADMN C[C@H](CNC(=O)c1cncnc1C1CC1)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575046262 951438875 /nfs/dbraw/zinc/43/88/75/951438875.db2.gz MEZOLTDHONLUQH-JTQLQIEISA-N 0 1 380.416 0.224 20 0 GCADMN CC(C)n1ncc(C(=O)NC[C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)c1Cl ZINC001575053662 951481791 /nfs/dbraw/zinc/48/17/91/951481791.db2.gz TUZVDKOPYBUUMI-VIFPVBQESA-N 0 1 390.839 0.740 20 0 GCADMN C[C@H](CNC(=O)c1cnnn1C)N(C)c1nc(-c2nn[nH]n2)c(Cl)s1 ZINC001575053778 951483175 /nfs/dbraw/zinc/48/31/75/951483175.db2.gz DVJPGMCKAJWMRQ-ZCFIWIBFSA-N 0 1 382.841 0.360 20 0 GCADMN C[C@H](CNC(=O)c1coc(C(N)=O)c1)NCc1cc(-c2nn[nH]n2)ccc1F ZINC001575056320 951519367 /nfs/dbraw/zinc/51/93/67/951519367.db2.gz HKPVDRNRDUMJDP-SECBINFHSA-N 0 1 387.375 0.606 20 0 GCADMN C[C@H](CNC(=O)c1n[nH]c2c1CCCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575062810 951571417 /nfs/dbraw/zinc/57/14/17/951571417.db2.gz YUXXFTYPBULDDP-LLVKDONJSA-N 0 1 381.444 0.906 20 0 GCADMN C[C@H](CNC(=O)c1noc2c1COCC2)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575064599 951573164 /nfs/dbraw/zinc/57/31/64/951573164.db2.gz AJPBVZICYYQYRP-SNVBAGLBSA-N 0 1 384.400 0.577 20 0 GCADMN C[C@@H](CNC(=O)c1nn(C)c2c1CCCC2)Nc1ccncc1-c1nn[nH]n1 ZINC001575064649 951577583 /nfs/dbraw/zinc/57/75/83/951577583.db2.gz CAZFQOKEZLGHPQ-NSHDSACASA-N 0 1 381.444 0.526 20 0 GCADMN C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccnc(-c2nn[nH]n2)n1 ZINC001575065265 951581819 /nfs/dbraw/zinc/58/18/19/951581819.db2.gz AZSAIGKDLVFQNC-JTQLQIEISA-N 0 1 385.436 0.258 20 0 GCADMN C[C@H](CNC(=O)c1occ2c1CCOC2)CNc1ccncc1-c1nn[nH]n1 ZINC001575066483 951598097 /nfs/dbraw/zinc/59/80/97/951598097.db2.gz MNKBWNAHNUDJBK-NSHDSACASA-N 0 1 383.412 0.827 20 0 GCADMN C[C@H](CNC(=O)c1nncc2ccccc21)CNc1ccnc(-c2nn[nH]n2)n1 ZINC001575067743 951621652 /nfs/dbraw/zinc/62/16/52/951621652.db2.gz XNBNBURGFMIZRC-NSHDSACASA-N 0 1 390.411 0.500 20 0 GCADMN C[C@@H](CNC(=O)c1ncn(C(C)(C)C)n1)N(C)c1ccncc1-c1nn[nH]n1 ZINC001575067987 951627492 /nfs/dbraw/zinc/62/74/92/951627492.db2.gz UODGUQCJJSRPEE-NSHDSACASA-N 0 1 384.448 0.863 20 0 GCADMN O=C([O-])CN1CCC[C@@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1=O ZINC001595082288 951695537 /nfs/dbraw/zinc/69/55/37/951695537.db2.gz DWBSZGRLWJDHAG-HNNXBMFYSA-N 0 1 381.473 0.461 20 0 GCADMN C[C@H](CNCc1ccc(-c2nn[nH]n2)cc1F)N(C)C(=O)c1c[nH]c(=O)cn1 ZINC001575091522 951777763 /nfs/dbraw/zinc/77/77/63/951777763.db2.gz TZZZABHOXKEYEF-SNVBAGLBSA-N 0 1 386.391 0.339 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575091708 951782517 /nfs/dbraw/zinc/78/25/17/951782517.db2.gz WMRLPHFPIOGCOX-ZBEGNZNMSA-N 0 1 391.457 0.411 20 0 GCADMN C[C@@](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)(NC(=O)[C@@H]1COC(=O)N1)C1CC1 ZINC001575091708 951782522 /nfs/dbraw/zinc/78/25/22/951782522.db2.gz WMRLPHFPIOGCOX-ZBEGNZNMSA-N 0 1 391.457 0.411 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575098374 951822481 /nfs/dbraw/zinc/82/24/81/951822481.db2.gz BWONBJPCOTUZAL-VXGBXAGGSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCN(C)C1=O ZINC001575098374 951822486 /nfs/dbraw/zinc/82/24/86/951822486.db2.gz BWONBJPCOTUZAL-VXGBXAGGSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575098429 951823407 /nfs/dbraw/zinc/82/34/07/951823407.db2.gz CYICMONQRSIAKR-WDEREUQCSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1COC(=O)C1 ZINC001575098429 951823414 /nfs/dbraw/zinc/82/34/14/951823414.db2.gz CYICMONQRSIAKR-WDEREUQCSA-N 0 1 378.458 0.818 20 0 GCADMN C[C@@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098748 951825508 /nfs/dbraw/zinc/82/55/08/951825508.db2.gz GALBLBBXZWKATM-SNVBAGLBSA-N 0 1 386.503 0.205 20 0 GCADMN C[C@@H](CNC(=O)CCS(C)(=O)=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098748 951825515 /nfs/dbraw/zinc/82/55/15/951825515.db2.gz GALBLBBXZWKATM-SNVBAGLBSA-N 0 1 386.503 0.205 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575098729 951826469 /nfs/dbraw/zinc/82/64/69/951826469.db2.gz FRORJEQEUSGXOE-SECBINFHSA-N 0 1 388.457 0.511 20 0 GCADMN C[C@@H](CNC(=O)c1cc(C(N)=O)c[nH]1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575098729 951826473 /nfs/dbraw/zinc/82/64/73/951826473.db2.gz FRORJEQEUSGXOE-SECBINFHSA-N 0 1 388.457 0.511 20 0 GCADMN C[C@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099367 951832136 /nfs/dbraw/zinc/83/21/36/951832136.db2.gz KRIPPNJAHVFEKC-LBPRGKRZSA-N 0 1 387.469 0.632 20 0 GCADMN C[C@H](CNC(=O)Cn1ccccc1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099367 951832146 /nfs/dbraw/zinc/83/21/46/951832146.db2.gz KRIPPNJAHVFEKC-LBPRGKRZSA-N 0 1 387.469 0.632 20 0 GCADMN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099599 951837543 /nfs/dbraw/zinc/83/75/43/951837543.db2.gz NRMWHVBVCQICLM-NSHDSACASA-N 0 1 375.462 0.452 20 0 GCADMN C[C@H](CNC(=O)CCn1ccnn1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099599 951837548 /nfs/dbraw/zinc/83/75/48/951837548.db2.gz NRMWHVBVCQICLM-NSHDSACASA-N 0 1 375.462 0.452 20 0 GCADMN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575099893 951838780 /nfs/dbraw/zinc/83/87/80/951838780.db2.gz PWHBFXMELLIKES-WDEREUQCSA-N 0 1 378.458 0.723 20 0 GCADMN C[C@H](CNC(=O)C[C@H]1COC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575099893 951838785 /nfs/dbraw/zinc/83/87/85/951838785.db2.gz PWHBFXMELLIKES-WDEREUQCSA-N 0 1 378.458 0.723 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575099768 951839942 /nfs/dbraw/zinc/83/99/42/951839942.db2.gz OKDKPKTYNGVXCX-GHMZBOCLSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)C[C@H]1CCC(=O)N1 ZINC001575099768 951839947 /nfs/dbraw/zinc/83/99/47/951839947.db2.gz OKDKPKTYNGVXCX-GHMZBOCLSA-N 0 1 377.474 0.533 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575099820 951840255 /nfs/dbraw/zinc/84/02/55/951840255.db2.gz PASIIMKPJGVFEB-LLVKDONJSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CN(C)C(=O)C1CC1 ZINC001575099820 951840262 /nfs/dbraw/zinc/84/02/62/951840262.db2.gz PASIIMKPJGVFEB-LLVKDONJSA-N 0 1 391.501 0.733 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100105 951841545 /nfs/dbraw/zinc/84/15/45/951841545.db2.gz QSRQQFLCHBSEFK-NSHDSACASA-N 0 1 389.489 0.531 20 0 GCADMN C[C@H](CNC(=O)CCc1cnn(C)n1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100105 951841556 /nfs/dbraw/zinc/84/15/56/951841556.db2.gz QSRQQFLCHBSEFK-NSHDSACASA-N 0 1 389.489 0.531 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575100065 951842981 /nfs/dbraw/zinc/84/29/81/951842981.db2.gz QNLVFNZJMWUNFM-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)CCc1cn(C)nn1 ZINC001575100065 951842989 /nfs/dbraw/zinc/84/29/89/951842989.db2.gz QNLVFNZJMWUNFM-NSHDSACASA-N 0 1 389.489 0.626 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575100246 951845413 /nfs/dbraw/zinc/84/54/13/951845413.db2.gz SGJGOIGKLISYSA-PIGZYNQJSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@@H](CNC(=O)[C@]1(C)CCNC(=O)C1)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575100246 951845425 /nfs/dbraw/zinc/84/54/25/951845425.db2.gz SGJGOIGKLISYSA-PIGZYNQJSA-N 0 1 391.501 0.686 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575101028 951852530 /nfs/dbraw/zinc/85/25/30/951852530.db2.gz XRGBPCYWXBMNGT-VXGBXAGGSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCNC(=O)CC1 ZINC001575101028 951852533 /nfs/dbraw/zinc/85/25/33/951852533.db2.gz XRGBPCYWXBMNGT-VXGBXAGGSA-N 0 1 391.501 0.781 20 0 GCADMN C[C@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1ccc(-c2nnn[n-]2)s1 ZINC001575101086 951853908 /nfs/dbraw/zinc/85/39/08/951853908.db2.gz ZEVHKNALQZPTHP-NSHDSACASA-N 0 1 392.489 0.185 20 0 GCADMN C[C@H](CNC(=O)CN1CCCNC1=O)C[NH2+]Cc1ccc(-c2nn[n-]n2)s1 ZINC001575101086 951853914 /nfs/dbraw/zinc/85/39/14/951853914.db2.gz ZEVHKNALQZPTHP-NSHDSACASA-N 0 1 392.489 0.185 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001575101102 951854061 /nfs/dbraw/zinc/85/40/61/951854061.db2.gz ZLSIAYDMZCYJCA-JQWIXIFHSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@H]1CCN(C)C1=O ZINC001575101102 951854069 /nfs/dbraw/zinc/85/40/69/951854069.db2.gz ZLSIAYDMZCYJCA-JQWIXIFHSA-N 0 1 377.474 0.343 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001575101111 951854169 /nfs/dbraw/zinc/85/41/69/951854169.db2.gz ZPJHFRRESHRNAB-NXEZZACHSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H](C)S(C)(=O)=O ZINC001575101111 951854174 /nfs/dbraw/zinc/85/41/74/951854174.db2.gz ZPJHFRRESHRNAB-NXEZZACHSA-N 0 1 386.503 0.298 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cccn(C)c1=O ZINC001575101690 951864415 /nfs/dbraw/zinc/86/44/15/951864415.db2.gz IKOHDXZGTSENJP-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cccn(C)c1=O ZINC001575101690 951864421 /nfs/dbraw/zinc/86/44/21/951864421.db2.gz IKOHDXZGTSENJP-NSHDSACASA-N 0 1 387.469 0.877 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575102448 951870332 /nfs/dbraw/zinc/87/03/32/951870332.db2.gz NQCGXIARTQUQRP-SNVBAGLBSA-N 0 1 388.457 0.767 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cc2n(n1)CCO2 ZINC001575102448 951870337 /nfs/dbraw/zinc/87/03/37/951870337.db2.gz NQCGXIARTQUQRP-SNVBAGLBSA-N 0 1 388.457 0.767 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575104065 951881912 /nfs/dbraw/zinc/88/19/12/951881912.db2.gz XQCZLKNAJHSQCZ-JTQLQIEISA-N 0 1 390.473 0.216 20 0 GCADMN C[C@@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)c1cn(C)c(=O)n1C ZINC001575104065 951881922 /nfs/dbraw/zinc/88/19/22/951881922.db2.gz XQCZLKNAJHSQCZ-JTQLQIEISA-N 0 1 390.473 0.216 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nnn[n-]2)s1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575104272 951883659 /nfs/dbraw/zinc/88/36/59/951883659.db2.gz YVGMTELEKRJZHX-PWSUYJOCSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](C[NH2+]Cc1ccc(-c2nn[n-]n2)s1)N(C)C(=O)[C@@H]1CCCN1C(N)=O ZINC001575104272 951883668 /nfs/dbraw/zinc/88/36/68/951883668.db2.gz YVGMTELEKRJZHX-PWSUYJOCSA-N 0 1 392.489 0.408 20 0 GCADMN C[C@H](CNCc1nnnn1C(C)(C)C)CNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001575116993 951975201 /nfs/dbraw/zinc/97/52/01/951975201.db2.gz JXRRGWITJQJNDT-SNVBAGLBSA-N 0 1 387.452 0.092 20 0 GCADMN C[C@@H](CNCc1nc(C2CC2)nn1C)CNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001575118258 951983958 /nfs/dbraw/zinc/98/39/58/951983958.db2.gz RMTVCAUBRGJKJH-JTQLQIEISA-N 0 1 384.448 0.356 20 0 GCADMN O=C([O-])CS(=O)(=O)CC[NH+]1CCC(CN2C(=O)c3ccccc3C2=O)CC1 ZINC001595123578 951988145 /nfs/dbraw/zinc/98/81/45/951988145.db2.gz IMTXMUMZDPWTQO-UHFFFAOYSA-N 0 1 394.449 0.494 20 0 GCADMN O=C([O-])Cn1cc(C(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC001595141722 952084998 /nfs/dbraw/zinc/08/49/98/952084998.db2.gz DKRXHZMSZGCVTI-IRXDYDNUSA-N 0 1 385.424 0.478 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@H]1CCCCO1)C1CC1 ZINC001575133288 952102383 /nfs/dbraw/zinc/10/23/83/952102383.db2.gz DIPCORZVTULUEG-ACJLOTCBSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)C[C@H]1CCCOC1)C1CC1 ZINC001575135570 952118835 /nfs/dbraw/zinc/11/88/35/952118835.db2.gz LKHSQBFXIRHJLW-XIKOKIGWSA-N 0 1 386.460 0.592 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001575139856 952142288 /nfs/dbraw/zinc/14/22/88/952142288.db2.gz CQAKWWHEIJCPEZ-OLZOCXBDSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)C(C)(C)[C@H]1CCCCO1 ZINC001575142729 952147828 /nfs/dbraw/zinc/14/78/28/952147828.db2.gz LESOBEQOOHVWBP-QWHCGFSZSA-N 0 1 388.476 0.933 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)CC[C@@H]1CCCO1)C1CC1 ZINC001575143138 952150299 /nfs/dbraw/zinc/15/02/99/952150299.db2.gz NWEXQAUNLQJQPR-UGSOOPFHSA-N 0 1 386.460 0.735 20 0 GCADMN C[C@@](CNc1ccnc(-c2nn[nH]n2)n1)(NC(=O)c1cc[nH]c(=O)c1)C1CC1 ZINC001575143650 952156703 /nfs/dbraw/zinc/15/67/03/952156703.db2.gz QKSVFAALTHAVPS-KRWDZBQOSA-N 0 1 381.400 0.190 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cn(C)nc1C(F)F ZINC001575143846 952157516 /nfs/dbraw/zinc/15/75/16/952157516.db2.gz CYQFNRWHQXDYKY-MRVPVSSYSA-N 0 1 392.374 0.322 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cnc(C2CC2)s1 ZINC001575144008 952161240 /nfs/dbraw/zinc/16/12/40/952161240.db2.gz FHDVTDCRCRACEU-VIFPVBQESA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575144176 952162523 /nfs/dbraw/zinc/16/25/23/952162523.db2.gz GWLYRURQIAVSHU-SNVBAGLBSA-N 0 1 384.400 0.317 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncc2n1CCCC2 ZINC001575144428 952165931 /nfs/dbraw/zinc/16/59/31/952165931.db2.gz IJRGKTFQFJHNBS-NSHDSACASA-N 0 1 382.432 0.184 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)CO[C@@H]1CCOC1)C1CC1 ZINC001575144623 952169252 /nfs/dbraw/zinc/16/92/52/952169252.db2.gz JPVPZYNTCYRXAV-FZKQIMNGSA-N 0 1 387.444 0.186 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001575144731 952170177 /nfs/dbraw/zinc/17/01/77/952170177.db2.gz XRIDYMAPQXGHPL-FPMFFAJLSA-N 0 1 379.428 0.536 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C1CCC(O)CC1)C1CC1 ZINC001575144690 952171031 /nfs/dbraw/zinc/17/10/31/952171031.db2.gz KLXRLEKPPPWBTP-JSORRYRYSA-N 0 1 385.472 0.932 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ncsc1C1CC1 ZINC001575144873 952173334 /nfs/dbraw/zinc/17/33/34/952173334.db2.gz MYXOFBWEXQIGKX-SECBINFHSA-N 0 1 385.457 0.985 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575144939 952176093 /nfs/dbraw/zinc/17/60/93/952176093.db2.gz NSZYTXBUBNQWBB-SNVBAGLBSA-N 0 1 380.416 0.319 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC001575145112 952178473 /nfs/dbraw/zinc/17/84/73/952178473.db2.gz QGWKGEXEYYTLCB-SNVBAGLBSA-N 0 1 384.448 0.672 20 0 GCADMN C[C@@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1csc(=O)[nH]1)C1CC1 ZINC001575145193 952179880 /nfs/dbraw/zinc/17/98/80/952179880.db2.gz SBHJERSWMOLPAZ-INIZCTEOSA-N 0 1 386.441 0.856 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)c1ccc(=O)[nH]c1)C1CC1 ZINC001575145213 952180737 /nfs/dbraw/zinc/18/07/37/952180737.db2.gz SRSHJWSOWJKGRU-GOSISDBHSA-N 0 1 380.412 0.795 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCCCN(C)C1=O ZINC001575145313 952181067 /nfs/dbraw/zinc/18/10/67/952181067.db2.gz VQEMZQKUZZEKNC-QWHCGFSZSA-N 0 1 386.460 0.201 20 0 GCADMN C[C@@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1csc(Cl)n1 ZINC001575145338 952182723 /nfs/dbraw/zinc/18/27/23/952182723.db2.gz VWDAGFKSECLTBO-ZETCQYMHSA-N 0 1 379.837 0.761 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CCc2nccn2C1 ZINC001575145393 952182896 /nfs/dbraw/zinc/18/28/96/952182896.db2.gz XBGKGYXTEUOTLQ-CHWSQXEVSA-N 0 1 381.444 0.402 20 0 GCADMN C[C@](CNc1ccncc1-c1nn[nH]n1)(NC(=O)C[C@@H]1CCC(=O)N1)C1CC1 ZINC001575145467 952184337 /nfs/dbraw/zinc/18/43/37/952184337.db2.gz YEHSKLCOMPWCIF-KPZWWZAWSA-N 0 1 384.444 0.049 20 0 GCADMN C[C@H](CNc1ccnc(-c2nn[nH]n2)n1)N(C)C(=O)c1ccnn1C1CCC1 ZINC001575145541 952186255 /nfs/dbraw/zinc/18/62/55/952186255.db2.gz ZQDHCUDUXUVOOC-LLVKDONJSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001575145645 952187101 /nfs/dbraw/zinc/18/71/01/952187101.db2.gz BXIMHDRBLRDBIA-FPMFFAJLSA-N 0 1 381.444 0.480 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1ccnc(C2CC2)n1 ZINC001575145574 952187542 /nfs/dbraw/zinc/18/75/42/952187542.db2.gz AGSKBCXDYQWIBZ-NSHDSACASA-N 0 1 379.428 0.924 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1c(C2CC2)cnn1C ZINC001575146264 952192766 /nfs/dbraw/zinc/19/27/66/952192766.db2.gz JMHKKAUGMWEFAA-LLVKDONJSA-N 0 1 381.444 0.867 20 0 GCADMN C[C@@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1occ2c1CCOC2 ZINC001575146241 952192852 /nfs/dbraw/zinc/19/28/52/952192852.db2.gz IVQYSSPTHPBZPH-NSHDSACASA-N 0 1 383.412 0.922 20 0 GCADMN C[C@H](CNc1ccncc1-c1nn[nH]n1)N(C)C(=O)c1cnc2ccccn21 ZINC001575146652 952196645 /nfs/dbraw/zinc/19/66/45/952196645.db2.gz MWAFFPVPLYZHGO-GFCCVEGCSA-N 0 1 377.412 0.904 20 0 GCADMN C[C@@H](CNc1cnc(-c2nnn[n-]2)cn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575153989 952215139 /nfs/dbraw/zinc/21/51/39/952215139.db2.gz NCFXFBZYUHZVTQ-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CNc1cnc(-c2nn[n-]n2)cn1)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001575153989 952215141 /nfs/dbraw/zinc/21/51/41/952215141.db2.gz NCFXFBZYUHZVTQ-LBPRGKRZSA-N 0 1 389.464 0.026 20 0 GCADMN C[C@@H](CNc1nc(-c2nn[nH]n2)c(Cl)s1)N(C)C(=O)c1cnnn1C ZINC001575164367 952291948 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ZINC001571147492 952661328 /nfs/dbraw/zinc/66/13/28/952661328.db2.gz ZVTRCBUIDASNEI-SCLBCKFNSA-N 0 1 379.428 0.927 20 0 GCADMN O=C(NCC1CC(Nc2ccncc2-c2nn[nH]n2)C1)c1cc(C2CC2)n[nH]1 ZINC001571147426 952661382 /nfs/dbraw/zinc/66/13/82/952661382.db2.gz XROFRLFXLBAHKD-UHFFFAOYSA-N 0 1 379.428 0.905 20 0 GCADMN C[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571148251 952666185 /nfs/dbraw/zinc/66/61/85/952666185.db2.gz XBDUNAKBPNGCAN-OLZOCXBDSA-N 0 1 379.428 0.684 20 0 GCADMN CN(c1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)CCc2ccccn2)C1 ZINC001571148244 952666341 /nfs/dbraw/zinc/66/63/41/952666341.db2.gz WSFKBJAHMXPODU-CQSZACIVSA-N 0 1 379.428 0.722 20 0 GCADMN COc1c(F)cc(NC(=O)[C@H](C)n2cnc(-c3nn[nH]n3)n2)c(OC)c1F ZINC001571152991 952685048 /nfs/dbraw/zinc/68/50/48/952685048.db2.gz MXNADWMUOIJPGC-LURJTMIESA-N 0 1 380.315 0.953 20 0 GCADMN C[C@@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)COc1cccnc1 ZINC001571155010 952691162 /nfs/dbraw/zinc/69/11/62/952691162.db2.gz DTKHRNFOLMYFHJ-DOMZBBRYSA-N 0 1 380.412 0.559 20 0 GCADMN COCc1cncc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571155040 952691170 /nfs/dbraw/zinc/69/11/70/952691170.db2.gz FLINXXYOIZEAPY-AWEZNQCLSA-N 0 1 380.412 0.552 20 0 GCADMN CCc1c[nH]c(=O)c(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1 ZINC001571155119 952692866 /nfs/dbraw/zinc/69/28/66/952692866.db2.gz IHZQKYSZHNCCRS-GFCCVEGCSA-N 0 1 380.412 0.673 20 0 GCADMN O=C(N[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1)[C@@H]1Cc2ccc(F)cc21 ZINC001571155176 952693440 /nfs/dbraw/zinc/69/34/40/952693440.db2.gz JUMCKWCNFGCAMP-TZMCWYRMSA-N 0 1 380.387 0.831 20 0 GCADMN COCc1ccc(C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cc1 ZINC001571155397 952696841 /nfs/dbraw/zinc/69/68/41/952696841.db2.gz QOBWILIGWZWMNV-AWEZNQCLSA-N 0 1 380.412 0.812 20 0 GCADMN Cc1ccc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C[C@H]2C)nn1 ZINC001571156063 952701510 /nfs/dbraw/zinc/70/15/10/952701510.db2.gz BYUWEFCMETVKIV-OLZOCXBDSA-N 0 1 379.428 0.887 20 0 GCADMN Cc1cnc(C(=O)N[C@@H]2CCC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571156653 952703287 /nfs/dbraw/zinc/70/32/87/952703287.db2.gz GDKLEYPFQBJKQT-CHWSQXEVSA-N 0 1 379.428 0.935 20 0 GCADMN Cc1cc(NCC[C@@H]2CCN(C(=O)c3cnccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571156736 952704451 /nfs/dbraw/zinc/70/44/51/952704451.db2.gz IIFTWZIVJYLCDC-CYBMUJFWSA-N 0 1 379.428 0.746 20 0 GCADMN COc1ncccc1C(=O)N(C)C1CC(Nc2ccncc2-c2nn[nH]n2)C1 ZINC001571157861 952708135 /nfs/dbraw/zinc/70/81/35/952708135.db2.gz AVILWMIMVOMPTG-UHFFFAOYSA-N 0 1 380.412 0.802 20 0 GCADMN COc1cncc(C(=O)N2CC[C@@H](Nc3ccncc3-c3nn[nH]n3)C2)c1C ZINC001571157855 952708162 /nfs/dbraw/zinc/70/81/62/952708162.db2.gz AHJWATSIDBZHKX-GFCCVEGCSA-N 0 1 380.412 0.722 20 0 GCADMN COc1cc(C(=O)N[C@H]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)C2)ncn1 ZINC001571157961 952708787 /nfs/dbraw/zinc/70/87/87/952708787.db2.gz DKSGZGOCJUOMRF-AWEZNQCLSA-N 0 1 380.412 0.670 20 0 GCADMN COc1cccnc1C(=O)N1CC[C@@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C1 ZINC001571157925 952708808 /nfs/dbraw/zinc/70/88/08/952708808.db2.gz CWMPQIRNXBIBLC-GFCCVEGCSA-N 0 1 380.412 0.722 20 0 GCADMN Cc1cc(N2CCN(C(=O)c3n[nH]c4c3CCC4)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158034 952708837 /nfs/dbraw/zinc/70/88/37/952708837.db2.gz QAIULQMPIAROSK-UHFFFAOYSA-N 0 1 379.428 0.744 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)c3cn4c(n3)CCC4)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158008 952709095 /nfs/dbraw/zinc/70/90/95/952709095.db2.gz PQTVGFZRXCYDQT-LBPRGKRZSA-N 0 1 379.428 0.461 20 0 GCADMN COc1cccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001571158225 952710184 /nfs/dbraw/zinc/71/01/84/952710184.db2.gz FEOOMZOQPHEOPA-VIKVFOODSA-N 0 1 380.412 0.459 20 0 GCADMN Cc1ccc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571158131 952710196 /nfs/dbraw/zinc/71/01/96/952710196.db2.gz RUCRJLWHLZDTBE-GOSISDBHSA-N 0 1 379.428 0.746 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)c3cncnc3)[C@H](C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571158910 952716013 /nfs/dbraw/zinc/71/60/13/952716013.db2.gz UDWQDCNVQBUUEQ-OCCSQVGLSA-N 0 1 379.428 0.887 20 0 GCADMN COc1ccc(C(=O)NCC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)nn1 ZINC001571159280 952718253 /nfs/dbraw/zinc/71/82/53/952718253.db2.gz SZLBMCSWHNPGOV-UHFFFAOYSA-N 0 1 380.412 0.527 20 0 GCADMN COc1cccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)c1 ZINC001571159363 952718410 /nfs/dbraw/zinc/71/84/10/952718410.db2.gz VLUIMOBTHDXTIT-WCQYABFASA-N 0 1 380.412 0.802 20 0 GCADMN Cc1cc(N[C@@H]2CN(C(=O)c3cc[nH]c(=O)c3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571159478 952719912 /nfs/dbraw/zinc/71/99/12/952719912.db2.gz VZRMRYHICUCPRR-ZUZCIYMTSA-N 0 1 380.412 0.665 20 0 GCADMN Cc1cnn(C)c1C(=O)N[C@@H]1[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]21 ZINC001571159782 952722066 /nfs/dbraw/zinc/72/20/66/952722066.db2.gz WPTPDZHWEYOMTP-NHAGDIPZSA-N 0 1 379.428 0.477 20 0 GCADMN Cc1cc(C)nc(C(=O)NC[C@H]2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571160336 952725036 /nfs/dbraw/zinc/72/50/36/952725036.db2.gz YUNVQQNSRYDCRK-JOCQHMNTSA-N 0 1 379.428 0.711 20 0 GCADMN O=C(N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1O)c1cnccn1 ZINC001571160571 952727833 /nfs/dbraw/zinc/72/78/33/952727833.db2.gz JKHPXIJBMACYJT-GOEBONIOSA-N 0 1 380.412 0.022 20 0 GCADMN O=C(Cc1ccoc1)N1CC[C@@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571160790 952728551 /nfs/dbraw/zinc/72/85/51/952728551.db2.gz LZUWURGWWOXTER-ZIAGYGMSSA-N 0 1 380.412 0.920 20 0 GCADMN O=C(N[C@@H]1CCN(Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O)c1cnccn1 ZINC001571160757 952728763 /nfs/dbraw/zinc/72/87/63/952728763.db2.gz LSCILUXHPLDGJX-ZBFHGGJFSA-N 0 1 380.412 0.022 20 0 GCADMN Cc1ccnc(C(=O)N2CCC(CNc3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001571161853 952735504 /nfs/dbraw/zinc/73/55/04/952735504.db2.gz CHDHIGKGQMIZGK-UHFFFAOYSA-N 0 1 380.416 0.141 20 0 GCADMN Cc1c[nH]nc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571161994 952737281 /nfs/dbraw/zinc/73/72/81/952737281.db2.gz HBVFHOYNIQRSAT-NEPJUHHUSA-N 0 1 380.416 0.572 20 0 GCADMN Cc1cc(N2CCC[C@@H](NC(=O)c3nccnc3N)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571162035 952737654 /nfs/dbraw/zinc/73/76/54/952737654.db2.gz ILBSVOMWCIHZHN-LLVKDONJSA-N 0 1 380.416 0.341 20 0 GCADMN Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCN3c2nccnc2-c2nn[nH]n2)n[nH]1 ZINC001571162077 952738932 /nfs/dbraw/zinc/73/89/32/952738932.db2.gz JJTFFUHKPHQOAC-CHWSQXEVSA-N 0 1 380.416 0.572 20 0 GCADMN Cc1cc(C(=O)N2CC[C@@]3(CCN(c4nccnc4-c4nn[nH]n4)C3)C2)n[nH]1 ZINC001571162275 952740786 /nfs/dbraw/zinc/74/07/86/952740786.db2.gz PKSUDWWJCVEBLE-QGZVFWFLSA-N 0 1 380.416 0.431 20 0 GCADMN Cc1n[nH]cc1C(=O)N1CC[C@H]2[C@H](CCN2c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571162714 952745975 /nfs/dbraw/zinc/74/59/75/952745975.db2.gz YCNLVEJVUGMNEA-YPMHNXCESA-N 0 1 380.416 0.429 20 0 GCADMN O=C(NCC1CC(Nc2cnc(-c3nn[nH]n3)cn2)C1)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001571164993 952746164 /nfs/dbraw/zinc/74/61/64/952746164.db2.gz AHERHKUCYRZWAL-KIDURHIOSA-N 0 1 380.416 0.490 20 0 GCADMN O=C(NC1(C2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC1)c1cnn[nH]1 ZINC001571165129 952746835 /nfs/dbraw/zinc/74/68/35/952746835.db2.gz COQXIRKCPYZKCM-UHFFFAOYSA-N 0 1 380.416 0.559 20 0 GCADMN Cc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(c2ccnc(-c4nn[nH]n4)n2)C3)[nH]1 ZINC001571165058 952747438 /nfs/dbraw/zinc/74/74/38/952747438.db2.gz BRJULMSNHMDQBM-SRVKXCTJSA-N 0 1 380.416 0.476 20 0 GCADMN Cn1cncc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571165452 952750714 /nfs/dbraw/zinc/75/07/14/952750714.db2.gz HCUFPVIOCHXTNF-TXEJJXNPSA-N 0 1 380.416 0.274 20 0 GCADMN Cc1ncncc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@@H]1C ZINC001571165776 952754215 /nfs/dbraw/zinc/75/42/15/952754215.db2.gz KEDHYIMBUIIIJZ-DGCLKSJQSA-N 0 1 380.416 0.542 20 0 GCADMN Cc1ncncc1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)[C@H]1C ZINC001571165775 952755030 /nfs/dbraw/zinc/75/50/30/952755030.db2.gz KEDHYIMBUIIIJZ-AAEUAGOBSA-N 0 1 380.416 0.542 20 0 GCADMN Cn1ncc(C2CC2)c1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571166616 952762911 /nfs/dbraw/zinc/76/29/11/952762911.db2.gz UEZFTBHUYLVGRQ-LLVKDONJSA-N 0 1 380.416 0.016 20 0 GCADMN Cn1nccc1C(=O)N1CC[C@H]2CC[C@@H](C1)N2c1ccnc(-c2nn[nH]n2)n1 ZINC001571166793 952765491 /nfs/dbraw/zinc/76/54/91/952765491.db2.gz WBFUHLHLHDSXKZ-NEPJUHHUSA-N 0 1 380.416 0.274 20 0 GCADMN C[C@@H]1CN(C(=O)c2cn[nH]c(=O)c2)CC[C@@H]1Nc1ccncc1-c1nn[nH]n1 ZINC001571170140 952783764 /nfs/dbraw/zinc/78/37/64/952783764.db2.gz DNEMXBSZKRGWMW-MFKMUULPSA-N 0 1 381.400 0.142 20 0 GCADMN C[C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)CCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571170790 952788309 /nfs/dbraw/zinc/78/83/09/952788309.db2.gz LPCPBVCRWWEOGA-CMPLNLGQSA-N 0 1 381.400 0.545 20 0 GCADMN Cn1ccc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3-c3nn[nH]n3)C2)n1 ZINC001571172279 952804662 /nfs/dbraw/zinc/80/46/62/952804662.db2.gz RVGITBHIDKIRQV-MRXNPFEDSA-N 0 1 380.456 0.924 20 0 GCADMN Cc1cc(N2C[C@@H]3CCCN(C(=O)c4cnon4)[C@@H]3C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571174721 952813055 /nfs/dbraw/zinc/81/30/55/952813055.db2.gz GEWKTZVBZPVJNG-XHDPSFHLSA-N 0 1 381.400 0.694 20 0 GCADMN O=C(N[C@H]1CCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1cccc(=O)[nH]1 ZINC001571175399 952820411 /nfs/dbraw/zinc/82/04/11/952820411.db2.gz BZVHYXIYJGKRDA-QWRGUYRKSA-N 0 1 381.400 0.190 20 0 GCADMN COc1ccc(C(=O)N2C[C@H](C)[C@H](Nc3ccncc3-c3nn[nH]n3)C2)nn1 ZINC001571175415 952820416 /nfs/dbraw/zinc/82/04/16/952820416.db2.gz UQSRYYNGRUMHPI-IINYFYTJSA-N 0 1 381.400 0.055 20 0 GCADMN COc1ccnc(C(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c1 ZINC001571175597 952822369 /nfs/dbraw/zinc/82/23/69/952822369.db2.gz WOMBTUVPNSNKBP-UHFFFAOYSA-N 0 1 381.400 0.413 20 0 GCADMN COc1cccnc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571175563 952822840 /nfs/dbraw/zinc/82/28/40/952822840.db2.gz UZTBCBUFAZNKJK-LLVKDONJSA-N 0 1 381.400 0.459 20 0 GCADMN Cc1cnoc1C(=O)N1CC[C@@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571175661 952823410 /nfs/dbraw/zinc/82/34/10/952823410.db2.gz DLYJLMZFWBQHAX-QGZVFWFLSA-N 0 1 381.400 0.696 20 0 GCADMN O=C(CCN1CCCC1=O)Nc1c(-c2nn[nH]n2)nnn1Cc1ccccc1 ZINC001571175666 952824145 /nfs/dbraw/zinc/82/41/45/952824145.db2.gz DNKLVBMTMBZSED-UHFFFAOYSA-N 0 1 381.400 0.458 20 0 GCADMN Cc1cnoc1C(=O)N1CC[C@]2(CCN(c3ccnc(-c4nn[nH]n4)n3)C2)C1 ZINC001571175660 952824218 /nfs/dbraw/zinc/82/42/18/952824218.db2.gz DLYJLMZFWBQHAX-KRWDZBQOSA-N 0 1 381.400 0.696 20 0 GCADMN Cc1nocc1C(=O)N[C@]12CCC[C@H]1N(c1ccnc(-c3nn[nH]n3)n1)CC2 ZINC001571175902 952827028 /nfs/dbraw/zinc/82/70/28/952827028.db2.gz HJQOISPPCVGXKF-PXAZEXFGSA-N 0 1 381.400 0.885 20 0 GCADMN O=C(N[C@@H]1CC[C@H]2CN(c3ccnc(-c4nn[nH]n4)n3)C[C@H]2C1)c1cocn1 ZINC001571176157 952829709 /nfs/dbraw/zinc/82/97/09/952829709.db2.gz MUARFUCNFZNIRE-QJPTWQEYSA-N 0 1 381.400 0.680 20 0 GCADMN O=C(Cc1cnoc1)N[C@@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571176337 952830242 /nfs/dbraw/zinc/83/02/42/952830242.db2.gz PUBIWPVPXSBKAF-VXGBXAGGSA-N 0 1 381.400 0.149 20 0 GCADMN O=C(NCC1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cccc(=O)[nH]1 ZINC001571176375 952830643 /nfs/dbraw/zinc/83/06/43/952830643.db2.gz QTCFWNGUEZCNPJ-UHFFFAOYSA-N 0 1 381.400 0.404 20 0 GCADMN O=C(Cc1cnoc1)N[C@H]1C[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2 ZINC001571176334 952831178 /nfs/dbraw/zinc/83/11/78/952831178.db2.gz PUBIWPVPXSBKAF-NEPJUHHUSA-N 0 1 381.400 0.149 20 0 GCADMN O=C(c1ncoc1C1CC1)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571178646 952844480 /nfs/dbraw/zinc/84/44/80/952844480.db2.gz PROLOVVUARHKCA-NSHDSACASA-N 0 1 381.400 0.661 20 0 GCADMN O=C(c1cn[nH]c(=O)c1)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571178912 952849431 /nfs/dbraw/zinc/84/94/31/952849431.db2.gz XUGPBJYNHZBQRU-LBPRGKRZSA-N 0 1 381.400 0.286 20 0 GCADMN O=C(N[C@@H]1CN(CCO)CC[C@@H]1c1ccccc1)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001571179227 952851066 /nfs/dbraw/zinc/85/10/66/952851066.db2.gz AGTPGDVBUOXQCD-NVXWUHKLSA-N 0 1 381.440 0.775 20 0 GCADMN C[C@H](C(=O)NC1CCC(Nc2ccncc2-c2nn[nH]n2)CC1)n1cccn1 ZINC001571179387 952852024 /nfs/dbraw/zinc/85/20/24/952852024.db2.gz CKTLWIMCLDLBOA-IYXRBSQSSA-N 0 1 381.444 0.981 20 0 GCADMN Cc1c[nH]cc1C(=O)N[C@H]1CCN(Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1O ZINC001571179919 952856463 /nfs/dbraw/zinc/85/64/63/952856463.db2.gz KFPZGSRDPXIGHE-IRXDYDNUSA-N 0 1 381.440 0.868 20 0 GCADMN CC(C)Cn1cc(C(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571181766 952865920 /nfs/dbraw/zinc/86/59/20/952865920.db2.gz YEVDYHGVQOAFDC-AWEZNQCLSA-N 0 1 381.444 0.863 20 0 GCADMN C[C@H]1[C@@H](NC(=O)c2cnnn2C)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571183472 952878886 /nfs/dbraw/zinc/87/88/86/952878886.db2.gz BDVDZWKKLPTBDD-WFASDCNBSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H]1CC[C@@H](NC(=O)c2cnnn2C)CN1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571183570 952879877 /nfs/dbraw/zinc/87/98/77/952879877.db2.gz DVHPBBBBCIOKQX-SWLSCSKDSA-N 0 1 381.444 0.778 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC001571183680 952881854 /nfs/dbraw/zinc/88/18/54/952881854.db2.gz HFRZZPXXNJOZJV-QWHCGFSZSA-N 0 1 381.444 0.770 20 0 GCADMN CCc1c(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)ccn1C ZINC001571183901 952884039 /nfs/dbraw/zinc/88/40/39/952884039.db2.gz MJMCCNZUQNFARA-GFCCVEGCSA-N 0 1 381.444 0.696 20 0 GCADMN C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571183874 952884168 /nfs/dbraw/zinc/88/41/68/952884168.db2.gz LLRMMJRCWMIVQF-WFASDCNBSA-N 0 1 381.444 0.901 20 0 GCADMN C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183952 952885473 /nfs/dbraw/zinc/88/54/73/952885473.db2.gz NGNQSGQSMDQDBU-WFASDCNBSA-N 0 1 381.444 0.688 20 0 GCADMN CCc1c(C(=O)N(C)[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)ccn1C ZINC001571183920 952885673 /nfs/dbraw/zinc/88/56/73/952885673.db2.gz MUNHEFRGTKBLKX-LBPRGKRZSA-N 0 1 381.444 0.909 20 0 GCADMN C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)[C@@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571183950 952885932 /nfs/dbraw/zinc/88/59/32/952885932.db2.gz NGNQSGQSMDQDBU-IUODEOHRSA-N 0 1 381.444 0.688 20 0 GCADMN C[C@H](Nc1ccncc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC001571184068 952887462 /nfs/dbraw/zinc/88/74/62/952887462.db2.gz PPVBGIWBWZKNJB-QWHCGFSZSA-N 0 1 381.444 0.770 20 0 GCADMN C[C@H]1[C@@H](Nc2ccncc2-c2nn[nH]n2)CCN1C(=O)CCc1nccn1C ZINC001571184341 952891599 /nfs/dbraw/zinc/89/15/99/952891599.db2.gz WYLOTUQNXMMCJM-JSGCOSHPSA-N 0 1 381.444 0.451 20 0 GCADMN CCn1ccc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@H]2C)c1C ZINC001571184811 952896458 /nfs/dbraw/zinc/89/64/58/952896458.db2.gz DHNBOWZIICFJSF-DGCLKSJQSA-N 0 1 381.444 0.924 20 0 GCADMN CCn1nccc1C(=O)N1C[C@H](Nc2cc(C)[nH+]cc2-c2nnn[n-]2)C[C@H]1C ZINC001571184986 952898593 /nfs/dbraw/zinc/89/85/93/952898593.db2.gz GJMKDODDUKLKNH-CHWSQXEVSA-N 0 1 381.444 0.924 20 0 GCADMN C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571186631 952908126 /nfs/dbraw/zinc/90/81/26/952908126.db2.gz YYOFSKHDPNFTSO-CHWSQXEVSA-N 0 1 381.444 0.166 20 0 GCADMN Cc1c[nH]cc1C(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571186657 952909318 /nfs/dbraw/zinc/90/93/18/952909318.db2.gz ZJECGZACLLMEQM-OLZOCXBDSA-N 0 1 381.444 0.925 20 0 GCADMN Cc1ccn([C@H](C)CC(=O)N2CC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571187958 952911418 /nfs/dbraw/zinc/91/14/18/952911418.db2.gz DNHINLOBHKETCL-KGLIPLIRSA-N 0 1 381.444 0.853 20 0 GCADMN Cc1cc(NC[C@]2(C)CCN(C(=O)c3ccn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571187989 952911698 /nfs/dbraw/zinc/91/16/98/952911698.db2.gz FDZPMSNYLODWQF-SFHVURJKSA-N 0 1 381.444 0.690 20 0 GCADMN Cc1n[nH]c(C)c1CC(=O)NC1CC(CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571188135 952912024 /nfs/dbraw/zinc/91/20/24/952912024.db2.gz GNYUFZOIOVYMCY-UHFFFAOYSA-N 0 1 381.444 0.573 20 0 GCADMN Cc1nccnc1CN[C@H]1CN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1(C)C ZINC001571188376 952913921 /nfs/dbraw/zinc/91/39/21/952913921.db2.gz AENMZJKHRWDHCY-HNNXBMFYSA-N 0 1 381.444 0.934 20 0 GCADMN O=C(c1ccc(-c2nn[nH]n2)[nH]1)N1CC[C@@H](NCc2cc3n(n2)CCCC3)C1 ZINC001571188694 952918227 /nfs/dbraw/zinc/91/82/27/952918227.db2.gz GJBQQWYDBKLAJR-GFCCVEGCSA-N 0 1 381.444 0.732 20 0 GCADMN Cc1nn(C)cc1C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1 ZINC001571188775 952919259 /nfs/dbraw/zinc/91/92/59/952919259.db2.gz JBDJWPMCHFANGE-ZDUSSCGKSA-N 0 1 381.444 0.832 20 0 GCADMN Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)c3cnn(C)c3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189038 952923550 /nfs/dbraw/zinc/92/35/50/952923550.db2.gz QHHQFSHIFJBEPA-JSGCOSHPSA-N 0 1 381.444 0.802 20 0 GCADMN Cc1cc(NC[C@H]2CN(C(=O)c3cn(C)cn3)C[C@@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189093 952924524 /nfs/dbraw/zinc/92/45/24/952924524.db2.gz RVWKEXPRFSEADG-AAEUAGOBSA-N 0 1 381.444 0.546 20 0 GCADMN Cc1cnn(CC(=O)N[C@@H]2CCCC[C@H]2Nc2ccncc2-c2nn[nH]n2)c1 ZINC001571189048 952924538 /nfs/dbraw/zinc/92/45/38/952924538.db2.gz QUCVLCIAEYSHJH-HZPDHXFCSA-N 0 1 381.444 0.728 20 0 GCADMN Cc1ncn(C)c1C(=O)N1CC[C@H](CN(C)c2ccncc2-c2nn[nH]n2)C1 ZINC001571189198 952926785 /nfs/dbraw/zinc/92/67/85/952926785.db2.gz OMMUDLMHYLLWSR-CYBMUJFWSA-N 0 1 381.444 0.902 20 0 GCADMN Cc1cc(NC[C@H]2CC[C@@H](NC(=O)Cn3cccn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189284 952927905 /nfs/dbraw/zinc/92/79/05/952927905.db2.gz UMEARXBZOQPHOV-UONOGXRCSA-N 0 1 381.444 0.586 20 0 GCADMN Cc1cc(N2CCC[C@@H](CNC(=O)c3cncn3C)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571189556 952930580 /nfs/dbraw/zinc/93/05/80/952930580.db2.gz XEPWKZADELBQOQ-ZDUSSCGKSA-N 0 1 381.444 0.950 20 0 GCADMN Cc1cnn(CC(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H]2C)c1 ZINC001571189591 952931987 /nfs/dbraw/zinc/93/19/87/952931987.db2.gz XYCBQSALQYUZBJ-DZGCQCFKSA-N 0 1 381.444 0.598 20 0 GCADMN Cn1cc(CCC(=O)N2CCC[C@H](Nc3ccncc3-c3nn[nH]n3)C2)cn1 ZINC001571189890 952936461 /nfs/dbraw/zinc/93/64/61/952936461.db2.gz YOBMHMSZJLDZEA-AWEZNQCLSA-N 0 1 381.444 0.453 20 0 GCADMN Cc1ncc(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571189820 952936500 /nfs/dbraw/zinc/93/65/00/952936500.db2.gz VZJSHVHHRXDOTO-CYBMUJFWSA-N 0 1 381.444 0.950 20 0 GCADMN Cc1ncn(C)c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571189909 952937373 /nfs/dbraw/zinc/93/73/73/952937373.db2.gz ZBDMIZZGTMYRQK-RISCZKNCSA-N 0 1 381.444 0.688 20 0 GCADMN O=C(N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)C1(C(F)(F)F)CC1 ZINC001571194292 952960538 /nfs/dbraw/zinc/96/05/38/952960538.db2.gz JRLRKXBOGIXWPV-VIFPVBQESA-N 0 1 382.350 0.682 20 0 GCADMN Cc1c[nH]cc1C(=O)N1CCCO[C@H](CNc2ccncc2-c2nn[nH]n2)C1 ZINC001571198724 952992225 /nfs/dbraw/zinc/99/22/25/952992225.db2.gz DTRFDWHFUUYXQB-CYBMUJFWSA-N 0 1 382.428 0.663 20 0 GCADMN Cc1c[nH]cc1C(=O)NC[C@@H]1COCCN1c1cc(C)[nH+]cc1-c1nnn[n-]1 ZINC001571200203 953007393 /nfs/dbraw/zinc/00/73/93/953007393.db2.gz BVBHARGYOUJERB-CYBMUJFWSA-N 0 1 382.428 0.842 20 0 GCADMN Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)[C@@H]2C)c1[O-] ZINC001571200796 953011828 /nfs/dbraw/zinc/01/18/28/953011828.db2.gz GLXAKRIUFWIFBL-RISCZKNCSA-N 0 1 382.428 0.997 20 0 GCADMN Cc1ccc(C(=O)N2CCO[C@@H](CNc3ccncc3-c3nn[nH]n3)C2)n1C ZINC001571202830 953029048 /nfs/dbraw/zinc/02/90/48/953029048.db2.gz ZLEWTFSJMUZJBC-ZDUSSCGKSA-N 0 1 382.428 0.284 20 0 GCADMN C[C@@H]1[C@@H](NC(=O)c2nnn(C)n2)CCCN1Cc1ccccc1-c1nn[nH]n1 ZINC001571204538 953029964 /nfs/dbraw/zinc/02/99/64/953029964.db2.gz AMFRIJFLKTYEAK-RISCZKNCSA-N 0 1 382.432 0.173 20 0 GCADMN CC(C)n1ccc(C(=O)N[C@H]2C[C@H](CNc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571204660 953031365 /nfs/dbraw/zinc/03/13/65/953031365.db2.gz CCJNQQTXCQSLSA-HAQNSBGRSA-N 0 1 382.432 0.477 20 0 GCADMN C[C@@H](CC(=O)N1CC[C@@H](CNc2ccnc(-c3nn[nH]n3)n2)C1)n1cccn1 ZINC001571204597 953031856 /nfs/dbraw/zinc/03/18/56/953031856.db2.gz BKZWZHZKXWZTBE-STQMWFEESA-N 0 1 382.432 0.187 20 0 GCADMN CC(C)(C)n1ccc(C(=O)N2CC[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)n1 ZINC001571205066 953035436 /nfs/dbraw/zinc/03/54/36/953035436.db2.gz GAZCGUJIEKDGMD-NSHDSACASA-N 0 1 382.432 0.357 20 0 GCADMN CCn1cc(C(=O)N2CCCC[C@H]2CNc2ccncc2-c2nn[nH]n2)nn1 ZINC001571205144 953036584 /nfs/dbraw/zinc/03/65/84/953036584.db2.gz GKVXWZHHNNTNPB-LBPRGKRZSA-N 0 1 382.432 0.402 20 0 GCADMN CCCn1cc(C(=O)N2CCN(c3ccnc(-c4nn[nH]n4)n3)CC2)c(C)n1 ZINC001571205217 953036988 /nfs/dbraw/zinc/03/69/88/953036988.db2.gz HRCDTPVNJOTJEX-UHFFFAOYSA-N 0 1 382.432 0.534 20 0 GCADMN Cn1cc(C(=O)N2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)[nH]c1=O ZINC001571205337 953037228 /nfs/dbraw/zinc/03/72/28/953037228.db2.gz HEGAPBPKVXLOCE-UHFFFAOYSA-N 0 1 382.428 0.654 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CC[C@](C)(CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571205515 953039156 /nfs/dbraw/zinc/03/91/56/953039156.db2.gz KYTRLNAPHFNJMF-QGZVFWFLSA-N 0 1 382.432 0.328 20 0 GCADMN Cn1ccc(CN2CCC[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)C2)cc1=O ZINC001571205786 953042356 /nfs/dbraw/zinc/04/23/56/953042356.db2.gz MAUPTOCKLIAEKO-CQSZACIVSA-N 0 1 382.428 0.288 20 0 GCADMN CCc1cc(C(=O)N2CCC[C@H](Nc3nc(C)cc(-c4nn[nH]n4)n3)C2)n[nH]1 ZINC001571205984 953044578 /nfs/dbraw/zinc/04/45/78/953044578.db2.gz QAJCCTIVDJLFOT-LBPRGKRZSA-N 0 1 382.432 0.967 20 0 GCADMN C[C@@H]1C[C@H](Nc2ccc(-c3nn[nH]n3)nc2)CCN1C(=O)CCc1c[nH]nn1 ZINC001571206209 953048290 /nfs/dbraw/zinc/04/82/90/953048290.db2.gz SEAJONVNSLOMPX-VXGBXAGGSA-N 0 1 382.432 0.804 20 0 GCADMN C[C@H](C(=O)N1CCCC[C@H]1CNc1ccncc1-c1nn[nH]n1)n1cncn1 ZINC001571206256 953048796 /nfs/dbraw/zinc/04/87/96/953048796.db2.gz NSQJIINMLILOTN-OLZOCXBDSA-N 0 1 382.432 0.329 20 0 GCADMN CCn1ncc(C(=O)NC[C@H]2CCCN(c3ccncc3-c3nn[nH]n3)C2)n1 ZINC001571206324 953050283 /nfs/dbraw/zinc/05/02/83/953050283.db2.gz FOYOAFWZKBTMCX-GFCCVEGCSA-N 0 1 382.432 0.520 20 0 GCADMN C[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)nn2)C1 ZINC001571206330 953050481 /nfs/dbraw/zinc/05/04/81/953050481.db2.gz TYQBGYGOIUDZDO-VXGBXAGGSA-N 0 1 382.432 0.662 20 0 GCADMN CCc1cc(C(=O)N[C@@]2(C)CCN(c3ccnc(-c4nn[nH]n4)n3)C2)nn1C ZINC001571206437 953050702 /nfs/dbraw/zinc/05/07/02/953050702.db2.gz UPAYFNZATVPYJI-KRWDZBQOSA-N 0 1 382.432 0.351 20 0 GCADMN CCn1cnc(C(=O)N2CC[C@](C)(CNc3ccnc(-c4nn[nH]n4)n3)C2)c1 ZINC001571206477 953052257 /nfs/dbraw/zinc/05/22/57/953052257.db2.gz HEXOIEOPHSHQEX-QGZVFWFLSA-N 0 1 382.432 0.259 20 0 GCADMN C[C@H]1CC[C@@H](NC(=O)c2nnn(C)n2)CN1Cc1ccccc1-c1nn[nH]n1 ZINC001571206667 953053738 /nfs/dbraw/zinc/05/37/38/953053738.db2.gz VYUMJXFKEZLUHP-WCQYABFASA-N 0 1 382.432 0.173 20 0 GCADMN CCc1cc(C(=O)N[C@H]2CCC[C@H]2CNc2ccnc(-c3nn[nH]n3)n2)[nH]n1 ZINC001571206674 953053840 /nfs/dbraw/zinc/05/38/40/953053840.db2.gz WBNIXADYHPNEKW-JQWIXIFHSA-N 0 1 382.432 0.375 20 0 GCADMN Cc1c(C(=O)N2CC[C@@H](CN(C)c3ccncc3-c3nn[nH]n3)C2)nnn1C ZINC001571206860 953056157 /nfs/dbraw/zinc/05/61/57/953056157.db2.gz LLBIPKDFUPGBRB-LBPRGKRZSA-N 0 1 382.432 0.297 20 0 GCADMN CCc1n[nH]cc1C(=O)N1CC[C@@H](CN(C)c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571206830 953056660 /nfs/dbraw/zinc/05/66/60/953056660.db2.gz XRBYQTCUSBUCGL-NSHDSACASA-N 0 1 382.432 0.541 20 0 GCADMN O=C(N[C@H]1C[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C12CCC2)C1=COCCC1 ZINC001571206955 953057854 /nfs/dbraw/zinc/05/78/54/953057854.db2.gz USPVCADCQXFEPN-STQMWFEESA-N 0 1 382.428 0.612 20 0 GCADMN CCc1nc[nH]c1C(=O)N[C@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571206986 953058041 /nfs/dbraw/zinc/05/80/41/953058041.db2.gz YZDSAZFKODQOAG-NSHDSACASA-N 0 1 382.432 0.731 20 0 GCADMN CCn1ncc(C(=O)N2C[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C[C@@H]2C)c1C ZINC001571207270 953060709 /nfs/dbraw/zinc/06/07/09/953060709.db2.gz PIWZUAOYOWZVJH-JQWIXIFHSA-N 0 1 382.432 0.319 20 0 GCADMN Cc1n[nH]cc1C(=O)N1CCC[C@H](C)[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571207286 953061801 /nfs/dbraw/zinc/06/18/01/953061801.db2.gz PNTJWQYHOOOHDF-GWCFXTLKSA-N 0 1 382.432 0.463 20 0 GCADMN Cc1c(C(=O)N[C@@H]2CC[C@H](C)N(c3ccnc(-c4nn[nH]n4)n3)C2)cnn1C ZINC001571207311 953062045 /nfs/dbraw/zinc/06/20/45/953062045.db2.gz QIPVPHOWJXNOCF-CMPLNLGQSA-N 0 1 382.432 0.486 20 0 GCADMN CC(C)n1ccc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)n1 ZINC001571207361 953062403 /nfs/dbraw/zinc/06/24/03/953062403.db2.gz YNPDUKIJNBFITF-GFCCVEGCSA-N 0 1 382.432 0.573 20 0 GCADMN C[C@@H]1CCN(C(=O)Cn2cccn2)[C@H](CNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571207431 953062996 /nfs/dbraw/zinc/06/29/96/953062996.db2.gz RMZQEOLHUXZVSL-OLZOCXBDSA-N 0 1 382.432 0.014 20 0 GCADMN O=C(CCc1nc[nH]n1)N1CC[C@@H](CCNc2ccc(-c3nn[nH]n3)cn2)C1 ZINC001571209973 953069363 /nfs/dbraw/zinc/06/93/63/953069363.db2.gz KKKIVSWSQYEQSU-GFCCVEGCSA-N 0 1 382.432 0.663 20 0 GCADMN O=C(NC[C@H]1C[C@H](NCc2nnc(C3CC3)[nH]2)C1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571210593 953073352 /nfs/dbraw/zinc/07/33/52/953073352.db2.gz TWTBZJPYMRFEHC-HOMQSWHASA-N 0 1 382.432 0.489 20 0 GCADMN Cc1cn(C(C)(C)C(=O)N[C@H]2CCN(c3ccnc(-c4nn[nH]n4)n3)C2)cn1 ZINC001571211438 953076330 /nfs/dbraw/zinc/07/63/30/953076330.db2.gz ARIGRHFQOWAMAH-LBPRGKRZSA-N 0 1 382.432 0.292 20 0 GCADMN Cc1cc(N2CCC[C@@H](CNC(=O)c3ncn(C)n3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571211447 953076570 /nfs/dbraw/zinc/07/65/70/953076570.db2.gz ATZRGLOJFGUKMZ-LBPRGKRZSA-N 0 1 382.432 0.345 20 0 GCADMN Cc1cc(C(=O)N2C[C@H](C)[C@@H](CNc3nc(C)cc(-c4nn[nH]n4)n3)C2)n[nH]1 ZINC001571211486 953077602 /nfs/dbraw/zinc/07/76/02/953077602.db2.gz BRRZMTDLEAPWDG-CABZTGNLSA-N 0 1 382.432 0.817 20 0 GCADMN Cc1cc(C(=O)N2CCCC[C@H]2CN(C)c2cncc(-c3nn[nH]n3)n2)n[nH]1 ZINC001571211612 953078380 /nfs/dbraw/zinc/07/83/80/953078380.db2.gz CFGOASSWDJWYPV-LBPRGKRZSA-N 0 1 382.432 0.819 20 0 GCADMN Cc1cc(C(=O)N2CC[C@@H](CNc3nccnc3-c3nn[nH]n3)[C@H](C)C2)n[nH]1 ZINC001571211610 953078902 /nfs/dbraw/zinc/07/89/02/953078902.db2.gz CCGNGEFACHOFTR-PWSUYJOCSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N2CCC[C@@H]([C@H](C)NC(=O)c3cnn[nH]3)C2)n1 ZINC001571211818 953081189 /nfs/dbraw/zinc/08/11/89/953081189.db2.gz GLMPHGLIRVFDGW-NWDGAFQWSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CCN(c2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571212113 953083553 /nfs/dbraw/zinc/08/35/53/953083553.db2.gz JAARREQSRQXZOA-LBPRGKRZSA-N 0 1 382.432 0.263 20 0 GCADMN Cc1cc(C)n(CC(=O)N2CCCN(c3ccnc(-c4nn[nH]n4)n3)CC2)n1 ZINC001571212156 953085131 /nfs/dbraw/zinc/08/51/31/953085131.db2.gz KBUHIBXQUIMXFB-UHFFFAOYSA-N 0 1 382.432 0.209 20 0 GCADMN Cc1c(C(=O)N2C[C@H](Nc3cc(C)[nH+]cc3-c3nnn[n-]3)[C@@H](C)C2)nnn1C ZINC001571212354 953086622 /nfs/dbraw/zinc/08/66/22/953086622.db2.gz MGGQGOKBEPYOSG-XPTSAGLGSA-N 0 1 382.432 0.002 20 0 GCADMN Cc1cc(N2CC[C@@H](NC(=O)c3cnnn3C)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571212323 953087016 /nfs/dbraw/zinc/08/70/16/953087016.db2.gz LNJZQOYDUCVUQQ-VXGBXAGGSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H](CCNc2nc(C)ccc2-c2nn[nH]n2)C1 ZINC001571212347 953087330 /nfs/dbraw/zinc/08/73/30/953087330.db2.gz MCCBVKOFNMRPPR-LBPRGKRZSA-N 0 1 382.432 0.961 20 0 GCADMN Cc1nn(C)cc1C(=O)N1CCCC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571212829 953090857 /nfs/dbraw/zinc/09/08/57/953090857.db2.gz PLNLDAHOEBEXAE-LBPRGKRZSA-N 0 1 382.432 0.227 20 0 GCADMN Cc1cc(N2CC[C@@H](NC(=O)c3cn(C)nn3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213032 953092272 /nfs/dbraw/zinc/09/22/72/953092272.db2.gz PUPZUYMQLKDXSV-VXGBXAGGSA-N 0 1 382.432 0.486 20 0 GCADMN Cc1nc(N2CC[C@@H](NC(=O)c3ncn[nH]3)C(C)(C)C2)ccc1-c1nn[nH]n1 ZINC001571213041 953092772 /nfs/dbraw/zinc/09/27/72/953092772.db2.gz PZNFDOSRARDIOZ-GFCCVEGCSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1nc(N2CC[C@@H](NC(=O)c3nc[nH]n3)C(C)(C)C2)ccc1-c1nn[nH]n1 ZINC001571213041 953092776 /nfs/dbraw/zinc/09/27/76/953092776.db2.gz PZNFDOSRARDIOZ-GFCCVEGCSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1nc(NC[C@H]2CCC[C@H]2NC(=O)Cc2nnc[nH]2)ccc1-c1nn[nH]n1 ZINC001571213151 953093382 /nfs/dbraw/zinc/09/33/82/953093382.db2.gz RLIIVXCEJPZHDS-DGCLKSJQSA-N 0 1 382.432 0.628 20 0 GCADMN Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)C2)[nH]n1 ZINC001571213420 953094148 /nfs/dbraw/zinc/09/41/48/953094148.db2.gz SMNVRIDHDYANGN-VXGBXAGGSA-N 0 1 382.432 0.723 20 0 GCADMN CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571213670 953096518 /nfs/dbraw/zinc/09/65/18/953096518.db2.gz STYNSEBQCAVFCF-ZOBUZTSGSA-N 0 1 382.472 0.926 20 0 GCADMN CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2c1ccc(-c2nn[n-]n2)nc1 ZINC001571213670 953096523 /nfs/dbraw/zinc/09/65/23/953096523.db2.gz STYNSEBQCAVFCF-ZOBUZTSGSA-N 0 1 382.472 0.926 20 0 GCADMN Cc1nn[nH]c1C(=O)N1CC[C@H](C)[C@@H](CNc2ncccc2-c2nn[nH]n2)C1 ZINC001571213833 953097313 /nfs/dbraw/zinc/09/73/13/953097313.db2.gz XLXOTTPAXYWSGO-JQWIXIFHSA-N 0 1 382.432 0.899 20 0 GCADMN Cc1nc(C)c(C(=O)N2CCC(N(C)c3ccnc(-c4nn[nH]n4)n3)CC2)[nH]1 ZINC001571213814 953097608 /nfs/dbraw/zinc/09/76/08/953097608.db2.gz WPDHAHJXPQGNMI-UHFFFAOYSA-N 0 1 382.432 0.738 20 0 GCADMN Cc1cc(NCC2CCN(C(=O)c3cn(C)nn3)CC2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571213803 953097902 /nfs/dbraw/zinc/09/79/02/953097902.db2.gz WCNDBRHRULXYLS-UHFFFAOYSA-N 0 1 382.432 0.085 20 0 GCADMN Cc1nc(N2CCC[C@@H]([C@@H](C)NC(=O)c3cnn[nH]3)C2)ccc1-c1nn[nH]n1 ZINC001571213898 953098170 /nfs/dbraw/zinc/09/81/70/953098170.db2.gz YFTKFNISYUHAHP-ZYHUDNBSSA-N 0 1 382.432 0.723 20 0 GCADMN Cc1cc(NC[C@H]2CC[C@H](NC(=O)c3cn(C)nn3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571214240 953100464 /nfs/dbraw/zinc/10/04/64/953100464.db2.gz ZQWAPWZXTIDGLP-RYUDHWBXSA-N 0 1 382.432 0.131 20 0 GCADMN Cc1nn(C)cc1C(=O)NC[C@@H]1CCCCN1c1ccnc(-c2nn[nH]n2)n1 ZINC001571214279 953100540 /nfs/dbraw/zinc/10/05/40/953100540.db2.gz ZZYMJJWHXHDALH-LBPRGKRZSA-N 0 1 382.432 0.488 20 0 GCADMN Cc1nc(CC(=O)N[C@@H]2CCCN(c3ccc(-c4nn[nH]n4)c(C)n3)C2)n[nH]1 ZINC001571214208 953100858 /nfs/dbraw/zinc/10/08/58/953100858.db2.gz ZGRLZUYGCNIQHQ-GFCCVEGCSA-N 0 1 382.432 0.324 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC001571217333 953107283 /nfs/dbraw/zinc/10/72/83/953107283.db2.gz IHLKKZOZTXRUBQ-GHMZBOCLSA-N 0 1 383.391 0.575 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571217683 953110197 /nfs/dbraw/zinc/11/01/97/953110197.db2.gz HXDZICDQMMQNRR-XHNCKOQMSA-N 0 1 382.881 0.987 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nnn[n-]4)s3)C2)C1 ZINC001571217683 953110199 /nfs/dbraw/zinc/11/01/99/953110199.db2.gz HXDZICDQMMQNRR-XHNCKOQMSA-N 0 1 382.881 0.987 20 0 GCADMN C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571217683 953110200 /nfs/dbraw/zinc/11/02/00/953110200.db2.gz HXDZICDQMMQNRR-XHNCKOQMSA-N 0 1 382.881 0.987 20 0 GCADMN C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](Nc3nc(Cl)c(-c4nn[n-]n4)s3)C2)C1 ZINC001571217683 953110201 /nfs/dbraw/zinc/11/02/01/953110201.db2.gz HXDZICDQMMQNRR-XHNCKOQMSA-N 0 1 382.881 0.987 20 0 GCADMN O=C(c1ccncc1F)N1CC[C@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571218920 953120692 /nfs/dbraw/zinc/12/06/92/953120692.db2.gz HBHHFPOBDSVPBK-NSHDSACASA-N 0 1 383.391 0.577 20 0 GCADMN O=C(N[C@@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ncccc1F ZINC001571219200 953123984 /nfs/dbraw/zinc/12/39/84/953123984.db2.gz LVSKYENKESJGAK-ZYHUDNBSSA-N 0 1 383.391 0.623 20 0 GCADMN C[C@]12CN(C(=O)c3n[nH]cc3F)C[C@H]1CN(c1ccncc1-c1nn[nH]n1)C2 ZINC001571219241 953124104 /nfs/dbraw/zinc/12/41/04/953124104.db2.gz NCGULPZXTMAMEW-QGHHPUGFSA-N 0 1 383.391 0.722 20 0 GCADMN O=C(N[C@H]1CCC[C@@H]1CNc1ccnc(-c2nn[nH]n2)n1)c1ncccc1F ZINC001571219199 953124525 /nfs/dbraw/zinc/12/45/25/953124525.db2.gz LVSKYENKESJGAK-PWSUYJOCSA-N 0 1 383.391 0.623 20 0 GCADMN C[C@@H](Nc1ccnc(-c2nn[nH]n2)n1)[C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC001571222073 953130256 /nfs/dbraw/zinc/13/02/56/953130256.db2.gz BEJZHYBSEDOPQL-YPMHNXCESA-N 0 1 383.416 0.348 20 0 GCADMN CC(C)c1nocc1C(=O)N1CCC[C@H](Nc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222281 953133639 /nfs/dbraw/zinc/13/36/39/953133639.db2.gz FZKNRQZWRVLXTM-NSHDSACASA-N 0 1 383.416 0.907 20 0 GCADMN COc1cncc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H]2C)n1 ZINC001571222485 953134842 /nfs/dbraw/zinc/13/48/42/953134842.db2.gz GJZVKFOWPCKLDU-GXFFZTMASA-N 0 1 383.416 0.386 20 0 GCADMN COc1cncc(CN[C@@H]2CCN(C(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@@H]2C)n1 ZINC001571222487 953134900 /nfs/dbraw/zinc/13/49/00/953134900.db2.gz GJZVKFOWPCKLDU-ZWNOBZJWSA-N 0 1 383.416 0.386 20 0 GCADMN CC(C)c1cc(C(=O)N2C[C@H](C)[C@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)on1 ZINC001571222656 953136563 /nfs/dbraw/zinc/13/65/63/953136563.db2.gz KQWTUFFQTHTKAB-CMPLNLGQSA-N 0 1 383.416 0.763 20 0 GCADMN C[C@@H]1CN(C(=O)Cc2cnoc2)CC[C@H]1CNc1ccnc(-c2nn[nH]n2)n1 ZINC001571222645 953136621 /nfs/dbraw/zinc/13/66/21/953136621.db2.gz KINZHWMRTBCKDJ-YPMHNXCESA-N 0 1 383.416 0.206 20 0 GCADMN CC(C)c1cc(C(=O)N2C[C@@H](C)[C@@H](Nc3ccnc(-c4nn[nH]n4)n3)C2)on1 ZINC001571222659 953136755 /nfs/dbraw/zinc/13/67/55/953136755.db2.gz KQWTUFFQTHTKAB-PWSUYJOCSA-N 0 1 383.416 0.763 20 0 GCADMN CC(C)c1cc(C(=O)N2C[C@H](Nc3ccnc(-c4nn[nH]n4)n3)[C@@H](C)C2)on1 ZINC001571222658 953137038 /nfs/dbraw/zinc/13/70/38/953137038.db2.gz KQWTUFFQTHTKAB-JQWIXIFHSA-N 0 1 383.416 0.763 20 0 GCADMN CCc1oncc1C(=O)N1CC[C@@H](CCNc2ccnc(-c3nn[nH]n3)n2)C1 ZINC001571222954 953140423 /nfs/dbraw/zinc/14/04/23/953140423.db2.gz OFJRVSGVJWPHGS-LLVKDONJSA-N 0 1 383.416 0.593 20 0 GCADMN COc1ccc(CNC[C@@H]2CCCN2C(=O)c2c[nH]c(-c3nn[nH]n3)c2)nn1 ZINC001571223001 953140737 /nfs/dbraw/zinc/14/07/37/953140737.db2.gz OXDXGTKFLFBFFK-ZDUSSCGKSA-N 0 1 383.416 0.388 20 0 GCADMN CCc1ncoc1C(=O)N[C@@H]1CCCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571223065 953141194 /nfs/dbraw/zinc/14/11/94/953141194.db2.gz PXZOJAOKVCAXCO-LLVKDONJSA-N 0 1 383.416 0.996 20 0 GCADMN Cc1[nH]c(=O)[nH]c1C(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571223292 953143186 /nfs/dbraw/zinc/14/31/86/953143186.db2.gz SKQZLZFJJWDPEN-SKDRFNHKSA-N 0 1 383.416 0.383 20 0 GCADMN CC(C)c1cc(C(=O)N2CCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)no1 ZINC001571223502 953143981 /nfs/dbraw/zinc/14/39/81/953143981.db2.gz RRXHQSGBKSHPJI-LLVKDONJSA-N 0 1 383.416 0.907 20 0 GCADMN CN(C[C@H]1CCCN(C(=O)Cc2cnoc2)C1)c1ccnc(-c2nn[nH]n2)n1 ZINC001571223891 953147488 /nfs/dbraw/zinc/14/74/88/953147488.db2.gz ZKKVWSZQWKMUNX-GFCCVEGCSA-N 0 1 383.416 0.562 20 0 GCADMN CCc1oncc1C(=O)N1CC[C@@H](Nc2ccnc(-c3nn[nH]n3)n2)[C@H](C)C1 ZINC001571223847 953147555 /nfs/dbraw/zinc/14/75/55/953147555.db2.gz YIEIKEVLIAMTOU-ZYHUDNBSSA-N 0 1 383.416 0.592 20 0 GCADMN CC[C@@H]1[C@@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCN1C(=O)c1cnc(C)[nH]1 ZINC001571223968 953148331 /nfs/dbraw/zinc/14/83/31/953148331.db2.gz WGRAPCLDXARXNN-IINYFYTJSA-N 0 1 383.416 0.649 20 0 GCADMN CC[C@@H]1CN(C(=O)c2coc(C)n2)CC[C@H]1Nc1ccnc(-c2nn[nH]n2)n1 ZINC001571224009 953148705 /nfs/dbraw/zinc/14/87/05/953148705.db2.gz WXRUGSAHSUXHCT-VXGBXAGGSA-N 0 1 383.416 0.728 20 0 GCADMN Cc1cc(C(=O)N[C@H]2CCN(Cc3cccc(-c4nn[nH]n4)c3)C[C@@H]2O)no1 ZINC001571224134 953149286 /nfs/dbraw/zinc/14/92/86/953149286.db2.gz YXKXGMYOIWWWHM-HOCLYGCPSA-N 0 1 383.412 0.528 20 0 GCADMN Cc1ncoc1C(=O)N1CCC([C@H](C)Nc2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571224927 953151312 /nfs/dbraw/zinc/15/13/12/953151312.db2.gz GYGPFCQARHBEHE-JTQLQIEISA-N 0 1 383.416 0.728 20 0 GCADMN Cc1ncc(C(=O)N2CCO[C@H]([C@@H](C)Nc3ccc(-c4nn[nH]n4)nc3)C2)[nH]1 ZINC001571224889 953151336 /nfs/dbraw/zinc/15/13/36/953151336.db2.gz FYKONFWKLWPPLR-BMIGLBTASA-N 0 1 383.416 0.635 20 0 GCADMN Cc1ncc(C(=O)N2CCC[C@](CO)(Nc3ccc(-c4nn[nH]n4)cn3)C2)[nH]1 ZINC001571224770 953151395 /nfs/dbraw/zinc/15/13/95/953151395.db2.gz FSQFZYCBRBUBDO-KRWDZBQOSA-N 0 1 383.416 0.372 20 0 GCADMN Cc1cc(C(=O)N2CCCO[C@H](CNc3ncccc3-c3nn[nH]n3)C2)n[nH]1 ZINC001571224907 953151526 /nfs/dbraw/zinc/15/15/26/953151526.db2.gz GGKXPLYHCGAVBF-GFCCVEGCSA-N 0 1 383.416 0.636 20 0 GCADMN Cc1cc(NCC[C@H]2CCCN(C(=O)c3cnon3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571225613 953153694 /nfs/dbraw/zinc/15/36/94/953153694.db2.gz LPTUYOYPWOQXLL-GFCCVEGCSA-N 0 1 383.416 0.729 20 0 GCADMN Cc1nc(C(=O)N2C[C@@H](CNc3ccnc(-c4nn[nH]n4)n3)[C@H](C)C2)c(C)o1 ZINC001571225672 953154608 /nfs/dbraw/zinc/15/46/08/953154608.db2.gz NGMNHWHYIZQMOS-BXKDBHETSA-N 0 1 383.416 0.504 20 0 GCADMN Cc1ncc(CC(=O)N2CCCC[C@@H]2CNc2ccnc(-c3nn[nH]n3)n2)o1 ZINC001571226394 953155284 /nfs/dbraw/zinc/15/52/84/953155284.db2.gz PSFBVOJIFSHILC-GFCCVEGCSA-N 0 1 383.416 0.411 20 0 GCADMN Cc1cc(C(=O)N2C[C@@H](CNC(=O)c3c[nH]c(-c4nn[nH]n4)c3)[C@H](C)C2)n[nH]1 ZINC001571226464 953156061 /nfs/dbraw/zinc/15/60/61/953156061.db2.gz RHKZGZXJYJUJBD-BXKDBHETSA-N 0 1 383.416 0.364 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)c(N[C@@H](C)[C@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1 ZINC001571226635 953156789 /nfs/dbraw/zinc/15/67/89/953156789.db2.gz UHXRBFHRKYEYHQ-SMDDNHRTSA-N 0 1 383.416 0.635 20 0 GCADMN CCn1ncc(C(=O)N[C@H]2CCCN(c3ccnc(-c4nn[nH]n4)n3)[C@H]2C)n1 ZINC001571227704 953159186 /nfs/dbraw/zinc/15/91/86/953159186.db2.gz AILXXWNRYKYPNG-QWRGUYRKSA-N 0 1 383.420 0.055 20 0 GCADMN O=C(NCc1nc(C[NH2+]CC2CCC2)cc(=O)[n-]1)c1ccc(-c2nn[nH]n2)[nH]1 ZINC001571227844 953160125 /nfs/dbraw/zinc/16/01/25/953160125.db2.gz DBEFEZAFDZTTOI-UHFFFAOYSA-N 0 1 383.416 0.510 20 0 GCADMN CCn1nncc1C(=O)N(C)C1CCN(c2ccnc(-c3nn[nH]n3)n2)CC1 ZINC001571227956 953160773 /nfs/dbraw/zinc/16/07/73/953160773.db2.gz FGMGRFYWZWALIZ-UHFFFAOYSA-N 0 1 383.420 0.009 20 0 GCADMN CN1CC(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cn3)CC2)=NC1=O ZINC001571228036 953161855 /nfs/dbraw/zinc/16/18/55/953161855.db2.gz GSSLJXYYRKIMGY-LBPRGKRZSA-N 0 1 383.416 0.490 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@H](Nc2ccncc2-c2nn[nH]n2)[C@H](C)C1 ZINC001571228203 953163302 /nfs/dbraw/zinc/16/33/02/953163302.db2.gz KPKYESWTAYUKPS-MFKMUULPSA-N 0 1 383.416 0.267 20 0 GCADMN Cc1nonc1CC(=O)N1CC[C@@H](Nc2ccncc2-c2nn[nH]n2)C[C@H]1C ZINC001571228641 953165791 /nfs/dbraw/zinc/16/57/91/953165791.db2.gz ULBPETWOLCCQHN-ZYHUDNBSSA-N 0 1 383.416 0.409 20 0 GCADMN CN1C[C@H](C(=O)N2CCCN(Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1=O ZINC001571230483 953177804 /nfs/dbraw/zinc/17/78/04/953177804.db2.gz FDOYIFSKKUFDOV-MRXNPFEDSA-N 0 1 383.456 0.379 20 0 GCADMN O=C(N[C@H]1CC12CCN(c1ccnc(-c3nn[nH]n3)n1)CC2)c1cscn1 ZINC001571230576 953178073 /nfs/dbraw/zinc/17/80/73/953178073.db2.gz GNBNGVUVYTYFSS-NSHDSACASA-N 0 1 383.441 0.902 20 0 GCADMN CO[C@@H](C(=O)N1C[C@H]2CN(c3cc(C)[nH+]cc3-c3nnn[n-]3)C[C@H]2C1)C1CC1 ZINC001571231023 953182512 /nfs/dbraw/zinc/18/25/12/953182512.db2.gz QIGQTBKIIZXPQY-JKIFEVAISA-N 0 1 383.456 0.890 20 0 GCADMN CN1C(=O)CCC[C@@H]1C(=O)NCC1CN(Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571231521 953184701 /nfs/dbraw/zinc/18/47/01/953184701.db2.gz ZGVSWVOBSJWYIP-MRXNPFEDSA-N 0 1 383.456 0.426 20 0 GCADMN CN(C(=O)[C@]12C[C@H]1COC2)C1CCC(Nc2ccncc2-c2nn[nH]n2)CC1 ZINC001571231482 953184718 /nfs/dbraw/zinc/18/47/18/953184718.db2.gz XXXGLXCMIVCXHG-WGFJEIQISA-N 0 1 383.456 0.902 20 0 GCADMN O=C(N[C@H]1C[C@@H](Nc2ccncc2-c2nn[nH]n2)C12CCC2)C1CCOCC1 ZINC001571232037 953185548 /nfs/dbraw/zinc/18/55/48/953185548.db2.gz AQZCPRFJAHBQID-CVEARBPZSA-N 0 1 383.456 0.950 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nnn[n-]3)n2)C1 ZINC001571232525 953187815 /nfs/dbraw/zinc/18/78/15/953187815.db2.gz HLGWMTZIMWJIHP-CRWXNKLISA-N 0 1 383.460 0.224 20 0 GCADMN C[C@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571232525 953187818 /nfs/dbraw/zinc/18/78/18/953187818.db2.gz HLGWMTZIMWJIHP-CRWXNKLISA-N 0 1 383.460 0.224 20 0 GCADMN C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3c2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571232525 953187819 /nfs/dbraw/zinc/18/78/19/953187819.db2.gz HLGWMTZIMWJIHP-CRWXNKLISA-N 0 1 383.460 0.224 20 0 GCADMN C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1Nc1cnc(-c2nn[n-]n2)cn1 ZINC001571232676 953188681 /nfs/dbraw/zinc/18/86/81/953188681.db2.gz IZWMCWHJZKNQBA-GXTWGEPZSA-N 0 1 383.460 0.544 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)C3=CCOCC3)C[C@H]2C)c(-c2nnn[n-]2)c[nH+]1 ZINC001571232653 953188711 /nfs/dbraw/zinc/18/87/11/953188711.db2.gz IRCADPXVFMLIAY-WBMJQRKESA-N 0 1 383.456 0.988 20 0 GCADMN Cc1cc(N[C@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC3)C2)c(-c2nnn[n-]2)c[nH+]1 ZINC001571233296 953191132 /nfs/dbraw/zinc/19/11/32/953191132.db2.gz RGGNHUITDCRJNU-VBQJREDUSA-N 0 1 383.456 0.820 20 0 GCADMN CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571233325 953191610 /nfs/dbraw/zinc/19/16/10/953191610.db2.gz RROAUFWHQNDPSL-FIRUKDTASA-N 0 1 383.460 0.082 20 0 GCADMN CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cncc(-c4nn[n-]n4)n3)C[C@H]21 ZINC001571233325 953191614 /nfs/dbraw/zinc/19/16/14/953191614.db2.gz RROAUFWHQNDPSL-FIRUKDTASA-N 0 1 383.460 0.082 20 0 GCADMN CN(C(=O)C12CCC[NH+]1CCC2)C1CC(Nc2ccnc(-c3nn[n-]n3)n2)C1 ZINC001571233361 953191747 /nfs/dbraw/zinc/19/17/47/953191747.db2.gz SSSHHDABFQSODA-UHFFFAOYSA-N 0 1 383.460 0.108 20 0 GCADMN O=C(CN1CCCC1=O)N[C@H]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571233393 953192553 /nfs/dbraw/zinc/19/25/53/953192553.db2.gz UEOXOUMBYQKYHP-INIZCTEOSA-N 0 1 383.456 0.570 20 0 GCADMN O=C(N[C@@H]1CCCN(Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCNC(=O)C1 ZINC001571233661 953194480 /nfs/dbraw/zinc/19/44/80/953194480.db2.gz ZQSQVDZAKDUKLB-DZGCQCFKSA-N 0 1 383.456 0.474 20 0 GCADMN CN(Cc1ccn(C)n1)C[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001571234202 953199969 /nfs/dbraw/zinc/19/99/69/953199969.db2.gz PMBVLQUSUDWSMV-CYBMUJFWSA-N 0 1 383.460 0.913 20 0 GCADMN C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571234317 953200427 /nfs/dbraw/zinc/20/04/27/953200427.db2.gz UFZYBYZWSCSFJR-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CCN(c1nccnc1-c1nn[n-]n1)CC2 ZINC001571234317 953200430 /nfs/dbraw/zinc/20/04/30/953200430.db2.gz UFZYBYZWSCSFJR-OLZOCXBDSA-N 0 1 383.460 0.226 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571234258 953200829 /nfs/dbraw/zinc/20/08/29/953200829.db2.gz RBICNNUUXCMPPC-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nnn[n-]3)nn2)C1 ZINC001571234258 953200830 /nfs/dbraw/zinc/20/08/30/953200830.db2.gz RBICNNUUXCMPPC-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571234258 953200832 /nfs/dbraw/zinc/20/08/32/953200832.db2.gz RBICNNUUXCMPPC-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3nn[n-]n3)nn2)C1 ZINC001571234258 953200835 /nfs/dbraw/zinc/20/08/35/953200835.db2.gz RBICNNUUXCMPPC-MELADBBJSA-N 0 1 383.460 0.178 20 0 GCADMN CN(C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)c1ccnc(-c2nn[n-]n2)n1 ZINC001571234499 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385.486 0.969 20 0 GCADMN COc1ccc(OC)c(S(=O)(=O)N2CC[NH+](CC3(C(=O)[O-])CC3)CC2)c1 ZINC000581553196 974912422 /nfs/dbraw/zinc/91/24/22/974912422.db2.gz GJSCWWWKWRDGOL-UHFFFAOYSA-N 0 1 384.454 0.875 20 0 GCADMN CCOC(=O)Cc1cccc(S(=O)(=O)N2CC[NH+](C(C)(C)C(=O)[O-])CC2)c1 ZINC000600656045 975002894 /nfs/dbraw/zinc/00/28/94/975002894.db2.gz DJDFKKDUOZUACT-UHFFFAOYSA-N 0 1 398.481 0.962 20 0 GCADMN CN1CC[N@@H+](CCCNC(=O)NCCOCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000635504906 975284316 /nfs/dbraw/zinc/28/43/16/975284316.db2.gz AZYLJDOUHGECDJ-KRWDZBQOSA-N 0 1 378.473 0.766 20 0 GCADMN C[N@@H+]1CCN(CCCNC(=O)NCCOCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000635504906 975284321 /nfs/dbraw/zinc/28/43/21/975284321.db2.gz AZYLJDOUHGECDJ-KRWDZBQOSA-N 0 1 378.473 0.766 20 0 GCADMN C[N@H+]1CCN(CCCNC(=O)NCCOCC(=O)[O-])[C@H](c2ccccc2)C1 ZINC000635504906 975284328 /nfs/dbraw/zinc/28/43/28/975284328.db2.gz AZYLJDOUHGECDJ-KRWDZBQOSA-N 0 1 378.473 0.766 20 0 GCADMN O=C([O-])[C@@H]1C[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C[C@H]1c1ccccc1 ZINC000647370937 975359007 /nfs/dbraw/zinc/35/90/07/975359007.db2.gz GLTGWNFBDDADLJ-ZWKOTPCHSA-N 0 1 395.463 0.925 20 0 GCADMN CC(C)[C@H](NC(=O)C[NH+]1CCC(c2ccc(S(N)(=O)=O)cc2)CC1)C(=O)[O-] ZINC001591866608 976173035 /nfs/dbraw/zinc/17/30/35/976173035.db2.gz JXIDKAADLIPYHM-KRWDZBQOSA-N 0 1 397.497 0.739 20 0 GCADMN O=C([O-])c1ccc(S(=O)(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000702605304 977097272 /nfs/dbraw/zinc/09/72/72/977097272.db2.gz NCTOKWBQIKKSLW-KRWDZBQOSA-N 0 1 380.422 0.893 20 0 GCADMN C[C@](CC(=O)[O-])(NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC1 ZINC001592282971 977591036 /nfs/dbraw/zinc/59/10/36/977591036.db2.gz SXVQGVQKSKSWMK-DNVCBOLYSA-N 0 1 381.473 0.459 20 0 GCADMN C[C@@H](CC(=O)[O-])[NH+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)C)nn2)CC1 ZINC001592406129 977980513 /nfs/dbraw/zinc/98/05/13/977980513.db2.gz MMCLCNAZOYZYAG-LBPRGKRZSA-N 0 1 377.445 0.720 20 0 GCADMN COc1ccc(CCC(=O)N2CC[NH+](CCC(=O)NCC(=O)[O-])CC2)cc1 ZINC000737987160 978464248 /nfs/dbraw/zinc/46/42/48/978464248.db2.gz QCQIRDTYGNYKDJ-UHFFFAOYSA-N 0 1 377.441 0.363 20 0 GCADMN C[C@H](CN1CCOCC1)[N@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001592625393 978604800 /nfs/dbraw/zinc/60/48/00/978604800.db2.gz XWXCPQRUTVFGRB-QAPCUYQASA-N 0 1 375.469 0.677 20 0 GCADMN C[C@H](CN1CCOCC1)[N@@H+](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC001592625393 978604802 /nfs/dbraw/zinc/60/48/02/978604802.db2.gz XWXCPQRUTVFGRB-QAPCUYQASA-N 0 1 375.469 0.677 20 0 GCADMN C[C@@H](CNC(=O)C(=O)N1CC[N@H+](CCC(=O)[O-])C[C@@H]1C)C(=O)OC(C)(C)C ZINC001592630419 978610790 /nfs/dbraw/zinc/61/07/90/978610790.db2.gz QLSVFRIFIHCFIW-STQMWFEESA-N 0 1 385.461 0.088 20 0 GCADMN C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](CCC(=O)[O-])C[C@@H]1C)C(=O)OC(C)(C)C ZINC001592630419 978610792 /nfs/dbraw/zinc/61/07/92/978610792.db2.gz QLSVFRIFIHCFIW-STQMWFEESA-N 0 1 385.461 0.088 20 0 GCADMN C[C@@H](CNC(=O)C(=O)NCCc1ccc(C(=O)[O-])cc1)C[NH+]1CCOCC1 ZINC001592630432 978610880 /nfs/dbraw/zinc/61/08/80/978610880.db2.gz QXYYQQSHRZYKLS-AWEZNQCLSA-N 0 1 377.441 0.128 20 0 GCADMN C[C@@H](CNC(=O)C(=O)N1CCOc2c(cccc2C(=O)[O-])C1)[N@@H+](C)C1CC1 ZINC001592631035 978612765 /nfs/dbraw/zinc/61/27/65/978612765.db2.gz YQALQQBFMUVPDE-LBPRGKRZSA-N 0 1 375.425 0.705 20 0 GCADMN C[NH+]1CCN([C@H](C(=O)N2CC[C@H](n3cc(C(=O)[O-])nn3)C2)c2ccccc2)CC1 ZINC000818315328 978910732 /nfs/dbraw/zinc/91/07/32/978910732.db2.gz FYPVDKAALZPQBX-WMZOPIPTSA-N 0 1 398.467 0.738 20 0 GCADMN O=C([O-])c1cn([C@H]2CCN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2)nn1 ZINC000818317818 978913624 /nfs/dbraw/zinc/91/36/24/978913624.db2.gz PIHNBWXQRPMPQB-KRWDZBQOSA-N 0 1 398.467 0.568 20 0 GCADMN CC[C@@H](CO)[NH+]1CCN(C(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000828891217 978989757 /nfs/dbraw/zinc/98/97/57/978989757.db2.gz UDIPWKAOBHKBGI-INIZCTEOSA-N 0 1 377.441 0.557 20 0 GCADMN 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CC[C@@](COC)([NH2+]CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)OC)C(=O)[O-] ZINC001595194457 979900256 /nfs/dbraw/zinc/90/02/56/979900256.db2.gz GBMGTGIJUVUATB-BEFAXECRSA-N 0 1 378.425 0.582 20 0 GCADMN CC[C@@](COC)([NH2+]CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC001595195374 979914363 /nfs/dbraw/zinc/91/43/63/979914363.db2.gz RSMZELCBZUEUAY-SFHVURJKSA-N 0 1 395.412 0.965 20 0 GCADMN C[N@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)CC2)C1 ZINC000871873453 979979212 /nfs/dbraw/zinc/97/92/12/979979212.db2.gz QBECLDZSCMFIMN-OAHLLOKOSA-N 0 1 385.461 0.924 20 0 GCADMN C[C@H](NC(=O)C(=O)N1CCO[C@H](CC(=O)[O-])C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001592970240 980106708 /nfs/dbraw/zinc/10/67/08/980106708.db2.gz DJVDTVOVNSKAAE-OFQRWUPVSA-N 0 1 381.473 0.458 20 0 GCADMN C[C@@H](NC(=O)C[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)C(=O)N1CCCCC1 ZINC001593025942 980285742 /nfs/dbraw/zinc/28/57/42/980285742.db2.gz OMANHVRKNTYZNF-IAQYHMDHSA-N 0 1 379.379 0.843 20 0 GCADMN 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CNC(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC001598643034 994343196 /nfs/dbraw/zinc/34/31/96/994343196.db2.gz NRETVQZRPIKZDM-DLBZAZTESA-N 0 1 388.468 0.707 20 0 GCADMN CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001598648507 994408215 /nfs/dbraw/zinc/40/82/15/994408215.db2.gz DIZRAABTHBLJFY-MGPQQGTHSA-N 0 1 390.440 0.971 20 0 GCADMN CNS(=O)(=O)c1cc(C(=O)N2CC[N@@H+](CCC(=O)[O-])C[C@H]2C)ccc1F ZINC001598673304 994795969 /nfs/dbraw/zinc/79/59/69/994795969.db2.gz LMWKOSPICDAQHZ-LLVKDONJSA-N 0 1 387.433 0.355 20 0 GCADMN C[C@@H]([NH2+]Cc1nccn1S(=O)(=O)N(C)C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593315827 994807043 /nfs/dbraw/zinc/80/70/43/994807043.db2.gz CWVBYRXMZNKEOD-UKRRQHHQSA-N 0 1 380.470 0.959 20 0 GCADMN CNS(=O)(=O)c1ccccc1N1CC[NH+](C[C@H]2CC(C(=O)[O-])=C(C)O2)CC1 ZINC001598675593 994836942 /nfs/dbraw/zinc/83/69/42/994836942.db2.gz FYBOXQQERBPMHK-CQSZACIVSA-N 0 1 395.481 0.864 20 0 GCADMN COc1cccc(OC)c1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599681791 994995172 /nfs/dbraw/zinc/99/51/72/994995172.db2.gz FPNZGLMXYFCQQI-STQMWFEESA-N 0 1 382.413 0.109 20 0 GCADMN COc1cccc(OC)c1OC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001599681791 994995177 /nfs/dbraw/zinc/99/51/77/994995177.db2.gz FPNZGLMXYFCQQI-STQMWFEESA-N 0 1 382.413 0.109 20 0 GCADMN COC(=O)[C@]1(NCCC(=O)N(C)CC(=O)[O-])CCC[N@@H+](Cc2ccccc2)C1 ZINC001598725889 995518068 /nfs/dbraw/zinc/51/80/68/995518068.db2.gz SSWKZPZUTOXWAJ-FQEVSTJZSA-N 0 1 391.468 0.717 20 0 GCADMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC001598750138 995642310 /nfs/dbraw/zinc/64/23/10/995642310.db2.gz JQGBINQKLYFXDT-CABCVRRESA-N 0 1 391.424 0.741 20 0 GCADMN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC001598750138 995642316 /nfs/dbraw/zinc/64/23/16/995642316.db2.gz JQGBINQKLYFXDT-CABCVRRESA-N 0 1 391.424 0.741 20 0 GCADMN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1CC[N@@H+](C)C[C@@H]1c1cnn(C)c1 ZINC001598763385 995802406 /nfs/dbraw/zinc/80/24/06/995802406.db2.gz QTJZUDWFHTXNLF-XZDPQHSOSA-N 0 1 392.456 0.320 20 0 GCADMN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H](C(=O)[O-])C1)CCO2 ZINC001598767774 995851871 /nfs/dbraw/zinc/85/18/71/995851871.db2.gz YIEUCMPTRBWXEH-RYTBJUFESA-N 0 1 383.445 0.145 20 0 GCADMN C[C@@H](Oc1ccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1F)C(=O)[O-] ZINC001593629092 995906379 /nfs/dbraw/zinc/90/63/79/995906379.db2.gz KXNLZXJUYLSFAO-GFCCVEGCSA-N 0 1 396.419 0.963 20 0 GCADMN COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)CC1 ZINC001598790178 996065222 /nfs/dbraw/zinc/06/52/22/996065222.db2.gz PDAFSEDSDGAGPN-AAEUAGOBSA-N 0 1 379.417 0.023 20 0 GCADMN COC(=O)[C@H]1CC[N@@H+](Cc2cnc(N3CCN(C)CC3)nc2)[C@H](C(=O)[O-])C1 ZINC001598803483 996162060 /nfs/dbraw/zinc/16/20/60/996162060.db2.gz MAXVEQMZFKSHAF-GJZGRUSLSA-N 0 1 377.445 0.067 20 0 GCADMN COC(=O)[C@H]1CC[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C(=O)[O-])C1 ZINC001598804980 996176691 /nfs/dbraw/zinc/17/66/91/996176691.db2.gz VGTAJRWABPKLOL-DZGCQCFKSA-N 0 1 384.454 0.775 20 0 GCADMN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)[C@@H](C(=O)[O-])C1 ZINC001598804980 996176693 /nfs/dbraw/zinc/17/66/93/996176693.db2.gz VGTAJRWABPKLOL-DZGCQCFKSA-N 0 1 384.454 0.775 20 0 GCADMN COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCSC3(CC(C(=O)[O-])C3)C2)CC[N@@H+](C)C1 ZINC001598816942 996280560 /nfs/dbraw/zinc/28/05/60/996280560.db2.gz FMAVFJBPINOFND-HPGRBHQUSA-N 0 1 399.513 0.862 20 0 GCADMN COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C(=O)[O-] ZINC001598816897 996280721 /nfs/dbraw/zinc/28/07/21/996280721.db2.gz DSUALKQTZDWSSA-JMJZKYOTSA-N 0 1 376.369 0.401 20 0 GCADMN COC(=O)[C@H]1CN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)CC[N@H+](C)C1 ZINC001598818076 996292473 /nfs/dbraw/zinc/29/24/73/996292473.db2.gz JKQKULOHROSVSH-SNVBAGLBSA-N 0 1 385.446 0.514 20 0 GCADMN COC(=O)[C@H]1CN(C(=O)Nc2nnc(CCCC(=O)[O-])s2)CC[N@@H+](C)C1 ZINC001598818076 996292481 /nfs/dbraw/zinc/29/24/81/996292481.db2.gz JKQKULOHROSVSH-SNVBAGLBSA-N 0 1 385.446 0.514 20 0 GCADMN COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1C(=O)[O-] ZINC001598818628 996298950 /nfs/dbraw/zinc/29/89/50/996298950.db2.gz KWUMJXLWTGKFBM-NMFUWQPSSA-N 0 1 376.409 0.821 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2cc(C)cc(C)c2)C[C@H]1C(=O)[O-] ZINC001598819283 996306499 /nfs/dbraw/zinc/30/64/99/996306499.db2.gz NUXAABFINXJTLN-IAGOWNOFSA-N 0 1 392.452 0.946 20 0 GCADMN COC(=O)[C@@H]1CN([C@H](C)C(=O)NCc2ccc(C(=O)[O-])cc2)CC[N@@H+](C)C1 ZINC001598821231 996329819 /nfs/dbraw/zinc/32/98/19/996329819.db2.gz XGGASHAODATOIH-CJNGLKHVSA-N 0 1 377.441 0.426 20 0 GCADMN COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001598821401 996331843 /nfs/dbraw/zinc/33/18/43/996331843.db2.gz KKMSUZOZCZDLLV-NEPJUHHUSA-N 0 1 397.815 0.573 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)Cc2c(F)cccc2F)C[C@@H]1C(=O)[O-] ZINC001598822407 996343824 /nfs/dbraw/zinc/34/38/24/996343824.db2.gz QFOIHYQHIZUJPE-WCFLWFBJSA-N 0 1 384.379 0.818 20 0 GCADMN COC(=O)[C@H]1C[NH2+]CCCN1S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001598826929 996393222 /nfs/dbraw/zinc/39/32/22/996393222.db2.gz KNYRUBOEXOGRTR-SNVBAGLBSA-N 0 1 378.353 0.189 20 0 GCADMN COC(=O)[C@@H]1C[N@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001598827286 996396675 /nfs/dbraw/zinc/39/66/75/996396675.db2.gz KHOAINSLPMGRPQ-NXEZZACHSA-N 0 1 376.818 0.293 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001598827286 996396680 /nfs/dbraw/zinc/39/66/80/996396680.db2.gz KHOAINSLPMGRPQ-NXEZZACHSA-N 0 1 376.818 0.293 20 0 GCADMN COC(=O)[C@@H]1C[N@@H+](CN2C[C@H](c3cccc(OC)c3)CC2=O)C[C@@H]1C(=O)[O-] ZINC001598827343 996397609 /nfs/dbraw/zinc/39/76/09/996397609.db2.gz KQFULANGGWZJEB-VNQPRFMTSA-N 0 1 376.409 0.774 20 0 GCADMN COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](CCC(=O)[O-])C1CCOCC1 ZINC001598830510 996431363 /nfs/dbraw/zinc/43/13/63/996431363.db2.gz IYMSXVWLGQMDBZ-RVDMUPIBSA-N 0 1 386.470 0.922 20 0 GCADMN COC(=O)CCCc1nnc(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)[O-])C2)s1 ZINC001598853059 996620970 /nfs/dbraw/zinc/62/09/70/996620970.db2.gz WSYPOBPNWLJQCB-JTQLQIEISA-N 0 1 385.446 0.514 20 0 GCADMN COC(=O)CN(CC(=O)[O-])C(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC001598860198 996667945 /nfs/dbraw/zinc/66/79/45/996667945.db2.gz DUBLCHQQXNGVJM-CABCVRRESA-N 0 1 380.445 0.320 20 0 GCADMN COC(=O)CNC(=O)[C@H](C)[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001598864024 996699714 /nfs/dbraw/zinc/69/97/14/996699714.db2.gz WBOZPCKSJLUODK-MQGAHJBISA-N 0 1 398.456 0.419 20 0 GCADMN COC(=O)CNC(=O)[C@H](C)[N@H+]1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)[O-])C2)C1 ZINC001598864024 996699717 /nfs/dbraw/zinc/69/97/17/996699717.db2.gz WBOZPCKSJLUODK-MQGAHJBISA-N 0 1 398.456 0.419 20 0 GCADMN CC1(C)CC[N@@H+](CCNC(=O)C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)C1 ZINC001593911982 996806955 /nfs/dbraw/zinc/80/69/55/996806955.db2.gz RIHISOUHYBUNCS-BIWSTMPVSA-N 0 1 381.473 0.363 20 0 GCADMN CO[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC001599074673 996837380 /nfs/dbraw/zinc/83/73/80/996837380.db2.gz UQTCRDXHJFWVOB-HNAYVOBHSA-N 0 1 390.440 0.844 20 0 GCADMN CO[C@]1(C(=O)[O-])CCN(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)C1 ZINC001599074673 996837393 /nfs/dbraw/zinc/83/73/93/996837393.db2.gz UQTCRDXHJFWVOB-HNAYVOBHSA-N 0 1 390.440 0.844 20 0 GCADMN COc1cc(C(=O)[O-])ccc1OC[C@@H](O)C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC001599380935 996843586 /nfs/dbraw/zinc/84/35/86/996843586.db2.gz OOKPARFSLYAPHX-MPGHIAIKSA-N 0 1 380.441 0.538 20 0 GCADMN COCc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC001599278453 996851467 /nfs/dbraw/zinc/85/14/67/996851467.db2.gz BWKLOPSXJYZNRA-MRXNPFEDSA-N 0 1 398.481 0.751 20 0 GCADMN COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1 ZINC001599486671 996860868 /nfs/dbraw/zinc/86/08/68/996860868.db2.gz DACACVJOUFNFDF-TXEJJXNPSA-N 0 1 379.413 0.245 20 0 GCADMN COc1ccc(C(=O)[O-])c(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c1 ZINC001599486671 996860875 /nfs/dbraw/zinc/86/08/75/996860875.db2.gz DACACVJOUFNFDF-TXEJJXNPSA-N 0 1 379.413 0.245 20 0 GCADMN CO[C@@]1(C(=O)[O-])CC[N@@H+](CC(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC001599075833 996861999 /nfs/dbraw/zinc/86/19/99/996861999.db2.gz FDPHVDSKNNMOLO-IBGZPJMESA-N 0 1 383.489 0.313 20 0 GCADMN CC1(C)CN(C(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC[N@@H+]1CCO ZINC001593927115 996862731 /nfs/dbraw/zinc/86/27/31/996862731.db2.gz LNUQNNRFEOACQP-UHFFFAOYSA-N 0 1 377.441 0.557 20 0 GCADMN CC1(C)CN(C(=O)C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC[N@H+]1CCO ZINC001593927115 996862743 /nfs/dbraw/zinc/86/27/43/996862743.db2.gz LNUQNNRFEOACQP-UHFFFAOYSA-N 0 1 377.441 0.557 20 0 GCADMN COc1cc(C(=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCNC(=O)CC12CCC2 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384.488 0.892 20 0 GCADMN Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000737226149 599029998 /nfs/dbraw/zinc/02/99/98/599029998.db2.gz RJUSYYWPLTXVBJ-UHFFFAOYSA-N 0 1 387.425 0.495 20 0 GCADMN O=C1[C@H](N2CCN([C@@H]3CCC[C@H]3O)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738288674 599073929 /nfs/dbraw/zinc/07/39/29/599073929.db2.gz DLDWVRBJOQWSNJ-KZNAEPCWSA-N 0 1 397.483 0.503 20 0 GCADMN NC(=O)[C@@H](NCCCNC(=O)c1ccc(F)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737730792 599100425 /nfs/dbraw/zinc/10/04/25/599100425.db2.gz LVJHPHYXZAWBSG-INIZCTEOSA-N 0 1 397.414 0.942 20 0 GCADMN O=C(Nc1cccc(-c2nn[nH]n2)c1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000738177719 599105027 /nfs/dbraw/zinc/10/50/27/599105027.db2.gz DGVZWXWXUBGFLS-MRXNPFEDSA-N 0 1 386.460 0.395 20 0 GCADMN Cc1nc(-c2nnn[n-]2)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@H]3C)CC2)o1 ZINC000737466942 599139708 /nfs/dbraw/zinc/13/97/08/599139708.db2.gz IGGAECNMGSVLGP-QWHCGFSZSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@H+]3CCC[C@H](C)[C@H]3C)CC2)o1 ZINC000737466942 599139714 /nfs/dbraw/zinc/13/97/14/599139714.db2.gz IGGAECNMGSVLGP-QWHCGFSZSA-N 0 1 388.476 0.932 20 0 GCADMN Cc1nc(-c2nn[n-]n2)c(N2CCN(C(=O)C[N@@H+]3CCC[C@H](C)[C@H]3C)CC2)o1 ZINC000737466942 599139716 /nfs/dbraw/zinc/13/97/16/599139716.db2.gz IGGAECNMGSVLGP-QWHCGFSZSA-N 0 1 388.476 0.932 20 0 GCADMN CC[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc(-c3nn[nH]n3)cc2)CCN1C[C@H](C)O ZINC000820987904 599187694 /nfs/dbraw/zinc/18/76/94/599187694.db2.gz BXOMERBJQQTADD-SQWLQELKSA-N 0 1 388.472 0.938 20 0 GCADMN C[C@@H](CNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1)CN1CC[NH+](C)CC1 ZINC000738917815 597017543 /nfs/dbraw/zinc/01/75/43/597017543.db2.gz YLNLPCANDRMSSL-YJBOKZPZSA-N 0 1 387.484 0.706 20 0 GCADMN C[N@H+]1CCCN(CCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000739728173 597017952 /nfs/dbraw/zinc/01/79/52/597017952.db2.gz RKGIEWGIDMQCBG-SFHVURJKSA-N 0 1 387.484 0.850 20 0 GCADMN CN1CCC[N@H+](CCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000739728173 597017956 /nfs/dbraw/zinc/01/79/56/597017956.db2.gz RKGIEWGIDMQCBG-SFHVURJKSA-N 0 1 387.484 0.850 20 0 GCADMN CN1CCC[N@@H+](CCCNC(=O)C2=NN(c3ccccc3)[C@H](C(=O)[O-])C2)CC1 ZINC000739728173 597017960 /nfs/dbraw/zinc/01/79/60/597017960.db2.gz RKGIEWGIDMQCBG-SFHVURJKSA-N 0 1 387.484 0.850 20 0 GCADMN C[N@H+]1CCCN(CCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000739728168 597018203 /nfs/dbraw/zinc/01/82/03/597018203.db2.gz RKGIEWGIDMQCBG-GOSISDBHSA-N 0 1 387.484 0.850 20 0 GCADMN CN1CCC[N@H+](CCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000739728168 597018208 /nfs/dbraw/zinc/01/82/08/597018208.db2.gz RKGIEWGIDMQCBG-GOSISDBHSA-N 0 1 387.484 0.850 20 0 GCADMN CN1CCC[N@@H+](CCCNC(=O)C2=NN(c3ccccc3)[C@@H](C(=O)[O-])C2)CC1 ZINC000739728168 597018211 /nfs/dbraw/zinc/01/82/11/597018211.db2.gz RKGIEWGIDMQCBG-GOSISDBHSA-N 0 1 387.484 0.850 20 0 GCADMN O=C(Nc1ccc(-c2nn[nH]n2)c(Cl)c1)C(=O)N1CC[C@H](N2CC=CC2)C1 ZINC000738144928 599244771 /nfs/dbraw/zinc/24/47/71/599244771.db2.gz OVQZAYYJKDMSGL-LBPRGKRZSA-N 0 1 387.831 0.931 20 0 GCADMN C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818113211 597301488 /nfs/dbraw/zinc/30/14/88/597301488.db2.gz MXYAYRMJTXCIMS-CRAIPNDOSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818113211 597301492 /nfs/dbraw/zinc/30/14/92/597301492.db2.gz MXYAYRMJTXCIMS-CRAIPNDOSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@@H]1CN(C[C@H]2C[N@H+](C)CCO2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818113211 597301499 /nfs/dbraw/zinc/30/14/99/597301499.db2.gz MXYAYRMJTXCIMS-CRAIPNDOSA-N 0 1 390.484 0.931 20 0 GCADMN C[C@@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818113211 597301502 /nfs/dbraw/zinc/30/15/02/597301502.db2.gz MXYAYRMJTXCIMS-CRAIPNDOSA-N 0 1 390.484 0.931 20 0 GCADMN CN1CCN(C[C@H]2CN(C(=O)NCc3ccc(C(=O)[O-])cc3)CCO2)CC1 ZINC000738012924 597302513 /nfs/dbraw/zinc/30/25/13/597302513.db2.gz JITIPMKPUKDGFL-KRWDZBQOSA-N 0 1 376.457 0.543 20 0 GCADMN Cc1cc(NC(=O)C(=O)NCC(=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000818835372 597322335 /nfs/dbraw/zinc/32/23/35/597322335.db2.gz GTEITFMENBUABM-HNNXBMFYSA-N 0 1 385.424 0.778 20 0 GCADMN O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000819586002 597347855 /nfs/dbraw/zinc/34/78/55/597347855.db2.gz RZAJXPHPGPORDZ-INIZCTEOSA-N 0 1 389.452 0.966 20 0 GCADMN C[NH+]1CCN([C@@H](CNC(=O)N2CCO[C@@H](C(=O)[O-])C2)c2cccs2)CC1 ZINC000737525244 597413014 /nfs/dbraw/zinc/41/30/14/597413014.db2.gz DEXIXCBIYQUKNJ-UONOGXRCSA-N 0 1 382.486 0.532 20 0 GCADMN Ic1ccc2ncnc(-n3cnc(-c4nn[nH]n4)n3)c2c1 ZINC000737670211 599263800 /nfs/dbraw/zinc/26/38/00/599263800.db2.gz SZVWRUUHVHFDAE-UHFFFAOYSA-N 0 1 391.136 0.995 20 0 GCADMN C[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)C(=O)[O-] ZINC000818019117 597516086 /nfs/dbraw/zinc/51/60/86/597516086.db2.gz XWSNTNJXIBYDIQ-DOMZBBRYSA-N 0 1 390.440 0.381 20 0 GCADMN C[C@H](NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)C(=O)[O-] ZINC000818019122 597516139 /nfs/dbraw/zinc/51/61/39/597516139.db2.gz XWSNTNJXIBYDIQ-WFASDCNBSA-N 0 1 390.440 0.381 20 0 GCADMN C[C@@H](NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000818017560 597520040 /nfs/dbraw/zinc/52/00/40/597520040.db2.gz BUJIQPBKHGLEHL-CYBMUJFWSA-N 0 1 388.424 0.501 20 0 GCADMN O=C([O-])[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)C1 ZINC000262677442 597534795 /nfs/dbraw/zinc/53/47/95/597534795.db2.gz UTJCIBNDBWLIDU-CYBMUJFWSA-N 0 1 381.454 0.816 20 0 GCADMN CC(=O)NCCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)[C@H](C)C(=O)[O-] ZINC000819753285 597695057 /nfs/dbraw/zinc/69/50/57/597695057.db2.gz ZCGXROCTZCZKAP-SNVBAGLBSA-N 0 1 376.417 0.086 20 0 GCADMN CC(=O)NCCN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H](C)C(=O)[O-] ZINC000819758190 597696807 /nfs/dbraw/zinc/69/68/07/597696807.db2.gz OSCDXZSFBHDNML-OAHLLOKOSA-N 0 1 390.484 0.485 20 0 GCADMN COC[C@@H](C)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736967402 599274029 /nfs/dbraw/zinc/27/40/29/599274029.db2.gz BHLATPMCYSKWAJ-SNVBAGLBSA-N 0 1 397.461 0.219 20 0 GCADMN COC[C@H](C)S(=O)(=O)N(CCN(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000736971645 599274342 /nfs/dbraw/zinc/27/43/42/599274342.db2.gz VOFVCKHGKBLIIG-ZDUSSCGKSA-N 0 1 382.490 0.595 20 0 GCADMN CCc1nc([C@H]2CN(C(=O)[C@@H](C)Oc3ccc(-c4nn[nH]n4)cc3)CCO2)n[nH]1 ZINC000736698817 599287048 /nfs/dbraw/zinc/28/70/48/599287048.db2.gz LBFURFWEZIVVGC-BXUZGUMPSA-N 0 1 398.427 0.915 20 0 GCADMN COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCO[C@@H](c2n[nH]c(C)n2)C1 ZINC000736910114 599292378 /nfs/dbraw/zinc/29/23/78/599292378.db2.gz SZYPESWXDBBEHC-KGLIPLIRSA-N 0 1 384.400 0.581 20 0 GCADMN C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)OC[C@H]1CCC[N@H+]1CC(=O)[O-])C2=O ZINC000820235262 598066346 /nfs/dbraw/zinc/06/63/46/598066346.db2.gz JZFDHCICTKFNQY-VFVRVIDISA-N 0 1 381.429 0.579 20 0 GCADMN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)OC[C@H]1CCC[N@H+]1CC(=O)[O-] ZINC000820147783 598069430 /nfs/dbraw/zinc/06/94/30/598069430.db2.gz FDGQQXQSJVFUGC-GHMZBOCLSA-N 0 1 376.456 0.507 20 0 GCADMN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1F ZINC000821691140 607338996 /nfs/dbraw/zinc/33/89/96/607338996.db2.gz KLTRFJXUGDGJTA-GFCCVEGCSA-N 0 1 391.407 0.171 20 0 GCADMN O=C([O-])Cc1ccccc1NC(=O)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000821539995 598170971 /nfs/dbraw/zinc/17/09/71/598170971.db2.gz VVFRVXRWBKFFHL-HOTGVXAUSA-N 0 1 375.425 0.310 20 0 GCADMN O=C([O-])Cc1cccc(NC(=O)C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000821538377 598170978 /nfs/dbraw/zinc/17/09/78/598170978.db2.gz OXLHXJYCRRXDIO-CVEARBPZSA-N 0 1 375.425 0.310 20 0 GCADMN O=C([O-])c1ccc(NC(=O)C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(F)c1 ZINC000821463552 598171033 /nfs/dbraw/zinc/17/10/33/598171033.db2.gz JSYXIAQTNMJJOU-LSDHHAIUSA-N 0 1 379.388 0.520 20 0 GCADMN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)Nc1ccccc1C(=O)[O-] ZINC000820524195 598174194 /nfs/dbraw/zinc/17/41/94/598174194.db2.gz IZAYQYVGMGSJKI-OAHLLOKOSA-N 0 1 390.440 0.382 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2C(=O)[O-])C1 ZINC000821345127 598174663 /nfs/dbraw/zinc/17/46/63/598174663.db2.gz KJXSUXMANKRAIS-LBPRGKRZSA-N 0 1 376.413 0.027 20 0 GCADMN CN(C[C@H]1CCN(C)C1)C(=O)CS(=O)(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736847330 598237631 /nfs/dbraw/zinc/23/76/31/598237631.db2.gz GHXAAVHNDSCTBC-AWEZNQCLSA-N 0 1 392.485 0.192 20 0 GCADMN O=S(=O)(N1CCCC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000738328590 598252712 /nfs/dbraw/zinc/25/27/12/598252712.db2.gz JFAGPJUOOLFRPO-UHFFFAOYSA-N 0 1 394.461 0.195 20 0 GCADMN O=C(CCN1CCN(c2cccnn2)CC1)Nc1ccccc1-c1nn[nH]n1 ZINC000737842908 598258839 /nfs/dbraw/zinc/25/88/39/598258839.db2.gz FFCGDDFVMNGBQT-UHFFFAOYSA-N 0 1 379.428 0.808 20 0 GCADMN CN(C)CCN(Cc1cccc(-c2nn[nH]n2)c1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000736769902 598270838 /nfs/dbraw/zinc/27/08/38/598270838.db2.gz WLBMEDKFQMOVPS-INIZCTEOSA-N 0 1 394.501 0.739 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[N@@H+](C)C(C)C ZINC000737488796 598302400 /nfs/dbraw/zinc/30/24/00/598302400.db2.gz XJTRYOPBMQRBKL-UHFFFAOYSA-N 0 1 385.476 0.915 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NCC[N@H+](C)C(C)C ZINC000737488796 598302402 /nfs/dbraw/zinc/30/24/02/598302402.db2.gz XJTRYOPBMQRBKL-UHFFFAOYSA-N 0 1 385.476 0.915 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[N@@H+](C)C(C)C ZINC000737488796 598302404 /nfs/dbraw/zinc/30/24/04/598302404.db2.gz XJTRYOPBMQRBKL-UHFFFAOYSA-N 0 1 385.476 0.915 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NCC[N@H+](C)C(C)C ZINC000737488796 598302406 /nfs/dbraw/zinc/30/24/06/598302406.db2.gz XJTRYOPBMQRBKL-UHFFFAOYSA-N 0 1 385.476 0.915 20 0 GCADMN O=S(=O)(c1ccc(Oc2nccnc2-c2nn[nH]n2)cc1)N1CCOCC1 ZINC000738355952 598336453 /nfs/dbraw/zinc/33/64/53/598336453.db2.gz XBWQREAPWFLPHP-UHFFFAOYSA-N 0 1 389.397 0.470 20 0 GCADMN Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@H](C)O)[C@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737549239 598344366 /nfs/dbraw/zinc/34/43/66/598344366.db2.gz UCZUSDVZZOFOJP-MDZLAQPJSA-N 0 1 391.476 0.790 20 0 GCADMN Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@H](C)O)[C@@H](C)C2)c(-c2nn[nH]n2)c1C ZINC000737549232 598345001 /nfs/dbraw/zinc/34/50/01/598345001.db2.gz UCZUSDVZZOFOJP-GVXVVHGQSA-N 0 1 391.476 0.790 20 0 GCADMN CN1CCN(C[C@@H]2CN(C(=O)c3sccc3-c3nn[nH]n3)CCO2)CC1 ZINC000736865108 598345053 /nfs/dbraw/zinc/34/50/53/598345053.db2.gz VEZVWXQZPVZQHF-GFCCVEGCSA-N 0 1 377.474 0.017 20 0 GCADMN CCOC[C@@H](O)CN1CCN(CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736608105 598353137 /nfs/dbraw/zinc/35/31/37/598353137.db2.gz ILBYBVFQIIOGQF-INIZCTEOSA-N 0 1 376.461 0.261 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1-c1nn[n-]n1 ZINC000737188051 598358499 /nfs/dbraw/zinc/35/84/99/598358499.db2.gz WWEIDGIHZZZULG-UHFFFAOYSA-N 0 1 389.445 0.700 20 0 GCADMN C[C@H](O)CN1CCN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1C ZINC000736145592 598363626 /nfs/dbraw/zinc/36/36/26/598363626.db2.gz CVFFLQMKUZGEJN-GRDNDAEWSA-N 0 1 385.472 0.359 20 0 GCADMN C[C@@H](O)CN1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@H]1C ZINC000736150138 598364629 /nfs/dbraw/zinc/36/46/29/598364629.db2.gz WNEDFPQBPSIYRT-VXGBXAGGSA-N 0 1 393.879 0.846 20 0 GCADMN C[C@@H](O)CN1CCN(CC(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)C[C@@H]1C ZINC000736150136 598364875 /nfs/dbraw/zinc/36/48/75/598364875.db2.gz WNEDFPQBPSIYRT-NWDGAFQWSA-N 0 1 393.879 0.846 20 0 GCADMN CC[C@@H]1CN([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCN1C[C@H](C)O ZINC000736406500 598365977 /nfs/dbraw/zinc/36/59/77/598365977.db2.gz AHCGIRLSEYPNLS-YXJHDRRASA-N 0 1 399.499 0.749 20 0 GCADMN CC(=O)NC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000735474248 598366124 /nfs/dbraw/zinc/36/61/24/598366124.db2.gz IPHKGNACDFMBPJ-UHFFFAOYSA-N 0 1 388.432 0.295 20 0 GCADMN O=C(N[C@@H]1CCCOC1)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000738022420 598374986 /nfs/dbraw/zinc/37/49/86/598374986.db2.gz FPVNKCYSXBJYRW-GFCCVEGCSA-N 0 1 388.432 0.743 20 0 GCADMN C[C@H](O)C[N@H+](C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736143507 598375257 /nfs/dbraw/zinc/37/52/57/598375257.db2.gz KAQRGBIZWIGWQK-NSHDSACASA-N 0 1 398.464 0.472 20 0 GCADMN C[C@H](O)C[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000736143507 598375259 /nfs/dbraw/zinc/37/52/59/598375259.db2.gz KAQRGBIZWIGWQK-NSHDSACASA-N 0 1 398.464 0.472 20 0 GCADMN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)N=c1cc[nH]cc1-c1nn[nH]n1 ZINC000737859570 598380645 /nfs/dbraw/zinc/38/06/45/598380645.db2.gz FNWOBVAUSCDBIT-UHFFFAOYSA-N 0 1 378.352 0.128 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NC(=O)CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000736000977 598401469 /nfs/dbraw/zinc/40/14/69/598401469.db2.gz KWRMUPWUDNRATE-CQSZACIVSA-N 0 1 389.529 0.852 20 0 GCADMN COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736906955 598452040 /nfs/dbraw/zinc/45/20/40/598452040.db2.gz GTZHVLOZNJSGGA-JKSUJKDBSA-N 0 1 384.440 0.710 20 0 GCADMN COCC[N@H+]1CC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c(SC)[nH]c2=O)C1 ZINC000737005532 598474415 /nfs/dbraw/zinc/47/44/15/598474415.db2.gz BVRUEFIZCZZZKZ-VIFPVBQESA-N 0 1 379.446 0.140 20 0 GCADMN CN(Cc1ccccc1)C(=O)C[NH2+]C[C@H]1CNc2c(-c3nn[n-]n3)cnn2C1 ZINC000736827661 598522983 /nfs/dbraw/zinc/52/29/83/598522983.db2.gz FZYWSQICUVTHTR-AWEZNQCLSA-N 0 1 381.444 0.353 20 0 GCADMN O=C1[C@@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)CCN1Cc1ccccc1 ZINC000738288113 598528342 /nfs/dbraw/zinc/52/83/42/598528342.db2.gz AQPMEKNGOGVQHN-ZBFHGGJFSA-N 0 1 393.455 0.496 20 0 GCADMN O=C(C[NH2+]C[C@@H]1CNc2c(-c3nn[n-]n3)cnn2C1)N1CCc2ccccc21 ZINC000737895252 598531481 /nfs/dbraw/zinc/53/14/81/598531481.db2.gz NVGYOQAMPHRRQE-GFCCVEGCSA-N 0 1 379.428 0.284 20 0 GCADMN O=C(CN1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1)NCC1CCC1 ZINC000737880807 598537843 /nfs/dbraw/zinc/53/78/43/598537843.db2.gz CNTVPLTZNMBRTC-UHFFFAOYSA-N 0 1 386.460 0.770 20 0 GCADMN CCS(=O)(=O)N(C)C1CCN(CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000736659113 598558378 /nfs/dbraw/zinc/55/83/78/598558378.db2.gz NTKWJWJIAIFCPK-UHFFFAOYSA-N 0 1 394.501 0.991 20 0 GCADMN CC(C)N1CCO[C@@H](CN2CCN(C(=O)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883079 598611919 /nfs/dbraw/zinc/61/19/19/598611919.db2.gz WBTLQQRHYDQDFO-SFHVURJKSA-N 0 1 399.499 0.734 20 0 GCADMN CC(C)[C@@H](CNc1ccc(S(N)(=O)=O)cc1-c1nn[nH]n1)N1CCOCC1 ZINC000735707100 598631244 /nfs/dbraw/zinc/63/12/44/598631244.db2.gz GMVUPOJHPXWMEX-OAHLLOKOSA-N 0 1 395.489 0.283 20 0 GCADMN O=C(NCCCCN1CCOCC1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000738052595 598637730 /nfs/dbraw/zinc/63/77/30/598637730.db2.gz AHASAUAKUHMISP-UHFFFAOYSA-N 0 1 391.407 0.173 20 0 GCADMN CCOc1ccc(OCCNC(=O)Cn2cccc(-c3nn[nH]n3)c2=O)cc1 ZINC000736650206 598675830 /nfs/dbraw/zinc/67/58/30/598675830.db2.gz BYZKZHGRNMZSCE-UHFFFAOYSA-N 0 1 384.396 0.622 20 0 GCADMN CCNC(=O)CCC(=O)N1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736574962 598681289 /nfs/dbraw/zinc/68/12/89/598681289.db2.gz VYMVQUYDXYJPGB-UHFFFAOYSA-N 0 1 385.472 0.817 20 0 GCADMN CC(C)[C@H](Oc1ccccc1-c1nn[nH]n1)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000735736676 598695314 /nfs/dbraw/zinc/69/53/14/598695314.db2.gz VHYQSCFYXPBIDV-PBHICJAKSA-N 0 1 387.488 0.632 20 0 GCADMN CN1CCN(C)[C@@H](CNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736855560 598695836 /nfs/dbraw/zinc/69/58/36/598695836.db2.gz DSXDHNKNGQYHDP-DLBZAZTESA-N 0 1 384.488 0.198 20 0 GCADMN CN1CCN(C)[C@H](CNC(=O)CCCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736856027 598695925 /nfs/dbraw/zinc/69/59/25/598695925.db2.gz IICBIJCGBLPTKJ-MRXNPFEDSA-N 0 1 387.488 0.778 20 0 GCADMN C[C@H]1CCCCN1CC(N)=NOCC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736266211 598700282 /nfs/dbraw/zinc/70/02/82/598700282.db2.gz HDBUCXQBVHBUFB-ZDUSSCGKSA-N 0 1 386.460 0.856 20 0 GCADMN CN(Cc1cnn(C)c1)C(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736831560 598719516 /nfs/dbraw/zinc/71/95/16/598719516.db2.gz OZZGZWCMBPICEN-UHFFFAOYSA-N 0 1 378.396 0.574 20 0 GCADMN COC[C@H](C)NC(=O)NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)c2ccccc21 ZINC000736969058 598719606 /nfs/dbraw/zinc/71/96/06/598719606.db2.gz JVDHFEMZZNKXHM-JTQLQIEISA-N 0 1 385.384 0.042 20 0 GCADMN CNC(=O)[C@H]1CCCN1CCC(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736870794 598760950 /nfs/dbraw/zinc/76/09/50/598760950.db2.gz LQZUWWNIYGFKDY-LLVKDONJSA-N 0 1 389.485 0.956 20 0 GCADMN O=C(CN1CCN([C@H]2CCC[C@H]2O)CC1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000737871875 598781643 /nfs/dbraw/zinc/78/16/43/598781643.db2.gz CENNOQWSHSYERD-DLBZAZTESA-N 0 1 385.472 0.014 20 0 GCADMN C[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000736130627 598786998 /nfs/dbraw/zinc/78/69/98/598786998.db2.gz HUVQWGIPBWHCPP-NXEZZACHSA-N 0 1 399.484 0.940 20 0 GCADMN Cc1oc(NC(=O)CN2CCN([C@@H]3CCC[C@H]3O)CC2)c(-c2nn[nH]n2)c1C ZINC000737553609 598811755 /nfs/dbraw/zinc/81/17/55/598811755.db2.gz XVTVORQBZHHLDN-ZIAGYGMSSA-N 0 1 389.460 0.546 20 0 GCADMN CN1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736865271 598816022 /nfs/dbraw/zinc/81/60/22/598816022.db2.gz XXEXFZYSUHNGDT-QGZVFWFLSA-N 0 1 384.488 0.199 20 0 GCADMN Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000737486768 599298781 /nfs/dbraw/zinc/29/87/81/599298781.db2.gz DHFLDMUYVJNLCK-MEDUHNTESA-N 0 1 397.487 0.867 20 0 GCADMN Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000737486768 599298784 /nfs/dbraw/zinc/29/87/84/599298784.db2.gz DHFLDMUYVJNLCK-MEDUHNTESA-N 0 1 397.487 0.867 20 0 GCADMN CN(C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)[C@H]1CCOC1 ZINC000736767959 599324114 /nfs/dbraw/zinc/32/41/14/599324114.db2.gz VEBSRHKCXSRBCL-HNNXBMFYSA-N 0 1 380.474 0.349 20 0 GCADMN O=c1c(-c2nn[nH]n2)cn(CCOCCO)c2ccc(Br)cc12 ZINC000738372499 599370697 /nfs/dbraw/zinc/37/06/97/599370697.db2.gz QZZUKMMQILFPOZ-UHFFFAOYSA-N 0 1 380.202 0.953 20 0 GCADMN Cn1cc(N2CCC[C@@H](N[C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)cn1 ZINC000822679974 599381609 /nfs/dbraw/zinc/38/16/09/599381609.db2.gz KOFQVMHJWGYOKE-ZBFHGGJFSA-N 0 1 381.444 0.385 20 0 GCADMN C[C@@H](N[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820413210 599388215 /nfs/dbraw/zinc/38/82/15/599388215.db2.gz PCBXWBFIQONIMQ-XUJVJEKNSA-N 0 1 392.485 0.551 20 0 GCADMN CN(C1CC1)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000736778449 599447478 /nfs/dbraw/zinc/44/74/78/599447478.db2.gz GSFDRBBMSXNZLJ-UHFFFAOYSA-N 0 1 394.461 0.193 20 0 GCADMN Cc1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CNc4c(-c5nn[n-]n5)cnn4C3)C2=O)cc1 ZINC000822241024 599448058 /nfs/dbraw/zinc/44/80/58/599448058.db2.gz JBGAZCJXEDWPKF-CZUORRHYSA-N 0 1 393.455 0.808 20 0 GCADMN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CNc3c(-c4nn[n-]n4)cnn3C2)C(=O)N1c1ccccc1 ZINC000820656881 599453884 /nfs/dbraw/zinc/45/38/84/599453884.db2.gz HZDNJIWSSTYDLY-IOASZLSFSA-N 0 1 393.455 0.889 20 0 GCADMN CCOC[C@@H](O)C[NH+]1CCN(c2cc(-c3nn[n-]n3)nc3ccccc32)CC1 ZINC000821367991 599537766 /nfs/dbraw/zinc/53/77/66/599537766.db2.gz PDUSQJSLIORXAB-AWEZNQCLSA-N 0 1 383.456 0.934 20 0 GCADMN CCN(C[C@H]1CCOC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736535066 599577800 /nfs/dbraw/zinc/57/78/00/599577800.db2.gz QJBOZZXIWIQEKC-BFUOFWGJSA-N 0 1 399.455 0.950 20 0 GCADMN CCN(C[C@@H]1CCOC1)CN1C(=O)N[C@](C)(c2cccc(-c3nn[nH]n3)c2)C1=O ZINC000736535068 599578476 /nfs/dbraw/zinc/57/84/76/599578476.db2.gz QJBOZZXIWIQEKC-ORAYPTAESA-N 0 1 399.455 0.950 20 0 GCADMN CC[C@H](CO)N1CCN(Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)CC1 ZINC000820908009 599585885 /nfs/dbraw/zinc/58/58/85/599585885.db2.gz HYHNPDKNMWFNDT-OAHLLOKOSA-N 0 1 384.444 0.805 20 0 GCADMN O=S(=O)(c1ccc(-c2nnn[n-]2)nc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738356227 599598516 /nfs/dbraw/zinc/59/85/16/599598516.db2.gz ZFIKQYIFASDKOG-ZDUSSCGKSA-N 0 1 377.474 0.901 20 0 GCADMN O=S(=O)(c1ccc(-c2nn[n-]n2)nc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738356227 599598517 /nfs/dbraw/zinc/59/85/17/599598517.db2.gz ZFIKQYIFASDKOG-ZDUSSCGKSA-N 0 1 377.474 0.901 20 0 GCADMN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC000822214883 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393.452 0.658 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccccc1)CC1CCOCC1 ZINC000823123112 607216348 /nfs/dbraw/zinc/21/63/48/607216348.db2.gz OJUUTEMWPXQLBJ-UHFFFAOYSA-N 0 1 382.428 0.914 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000823431287 607216402 /nfs/dbraw/zinc/21/64/02/607216402.db2.gz PFEYAGDRWMHBRB-ZDUSSCGKSA-N 0 1 382.384 0.193 20 0 GCADMN CC(=O)N(Cc1ccc(NC(=O)Cn2cnc(-c3nn[nH]n3)n2)cc1)C1CC1 ZINC000819789771 607217949 /nfs/dbraw/zinc/21/79/49/607217949.db2.gz XKPXSFQHGJDFLH-UHFFFAOYSA-N 0 1 381.400 0.608 20 0 GCADMN C[C@H]1C[C@@H](N(C)C(=O)Cn2cnc(-c3nnn[n-]3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655719 607218070 /nfs/dbraw/zinc/21/80/70/607218070.db2.gz BIKMVUQGBCAUTL-HOCLYGCPSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@H]1C[C@@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655719 607218071 /nfs/dbraw/zinc/21/80/71/607218071.db2.gz BIKMVUQGBCAUTL-HOCLYGCPSA-N 0 1 395.471 0.970 20 0 GCADMN C[C@H]1C[C@@H](N(C)C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC[N@H+]1Cc1ccccc1 ZINC000820655719 607218072 /nfs/dbraw/zinc/21/80/72/607218072.db2.gz BIKMVUQGBCAUTL-HOCLYGCPSA-N 0 1 395.471 0.970 20 0 GCADMN C[N@H+]1CCC[C@H](CNC(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@H]1c1cccs1 ZINC000821623743 607218623 /nfs/dbraw/zinc/21/86/23/607218623.db2.gz RNUQVNRUEDAXBC-RISCZKNCSA-N 0 1 387.473 0.719 20 0 GCADMN C[N@@H+]1CCC[C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1cccs1 ZINC000821623743 607218624 /nfs/dbraw/zinc/21/86/24/607218624.db2.gz RNUQVNRUEDAXBC-RISCZKNCSA-N 0 1 387.473 0.719 20 0 GCADMN C[N@H+]1CCC[C@H](CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)[C@H]1c1cccs1 ZINC000821623743 607218625 /nfs/dbraw/zinc/21/86/25/607218625.db2.gz RNUQVNRUEDAXBC-RISCZKNCSA-N 0 1 387.473 0.719 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000823126604 607219219 /nfs/dbraw/zinc/21/92/19/607219219.db2.gz KBWOUDKJXUFGJY-LLVKDONJSA-N 0 1 387.791 0.033 20 0 GCADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821596913 607220220 /nfs/dbraw/zinc/22/02/20/607220220.db2.gz YIYMBCFNYRSTRP-OAHLLOKOSA-N 0 1 381.444 0.439 20 0 GCADMN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596913 607220221 /nfs/dbraw/zinc/22/02/21/607220221.db2.gz YIYMBCFNYRSTRP-OAHLLOKOSA-N 0 1 381.444 0.439 20 0 GCADMN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821596913 607220222 /nfs/dbraw/zinc/22/02/22/607220222.db2.gz YIYMBCFNYRSTRP-OAHLLOKOSA-N 0 1 381.444 0.439 20 0 GCADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nnn[n-]2)n1 ZINC000821198827 607220823 /nfs/dbraw/zinc/22/08/23/607220823.db2.gz WRVADWVWQIFECY-INIZCTEOSA-N 0 1 395.471 0.829 20 0 GCADMN CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821198827 607220824 /nfs/dbraw/zinc/22/08/24/607220824.db2.gz WRVADWVWQIFECY-INIZCTEOSA-N 0 1 395.471 0.829 20 0 GCADMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821198827 607220825 /nfs/dbraw/zinc/22/08/25/607220825.db2.gz WRVADWVWQIFECY-INIZCTEOSA-N 0 1 395.471 0.829 20 0 GCADMN CC[C@@H]1Oc2cc([C@H](C)NC(=O)Cn3cnc(-c4nn[nH]n4)n3)ccc2NC1=O ZINC000821000590 607220866 /nfs/dbraw/zinc/22/08/66/607220866.db2.gz GYRAWQMFTGUYGQ-CABZTGNLSA-N 0 1 397.399 0.445 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000823122610 607221899 /nfs/dbraw/zinc/22/18/99/607221899.db2.gz FNPYLXMDLLMFEX-ZDUSSCGKSA-N 0 1 376.421 0.035 20 0 GCADMN C[C@@H](Cc1ccccc1Br)NC(=O)Cn1cnc(-c2nn[nH]n2)n1 ZINC000820300353 607223358 /nfs/dbraw/zinc/22/33/58/607223358.db2.gz QFQMLHDIFAZOER-VIFPVBQESA-N 0 1 391.233 0.968 20 0 GCADMN C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000820760652 607223541 /nfs/dbraw/zinc/22/35/41/607223541.db2.gz RLAXTBDPABRNQT-ZIAGYGMSSA-N 0 1 395.471 0.731 20 0 GCADMN CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821189544 607223613 /nfs/dbraw/zinc/22/36/13/607223613.db2.gz ONACEHQQGHLIMT-UHFFFAOYSA-N 0 1 389.489 0.890 20 0 GCADMN CCS[C@@H](C)c1noc(CN(C)C(=O)Cn2cnc(-c3nn[nH]n3)n2)n1 ZINC000821448196 607224214 /nfs/dbraw/zinc/22/42/14/607224214.db2.gz MAAINAUFWWDQQR-QMMMGPOBSA-N 0 1 378.422 0.314 20 0 GCADMN COC(=O)C(C)(C)[C@@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)c1ccccc1 ZINC000821637471 607224466 /nfs/dbraw/zinc/22/44/66/607224466.db2.gz HFCOOTGJKUVXGJ-ZDUSSCGKSA-N 0 1 384.400 0.515 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCN(Cc2ccccc2Cl)CC1 ZINC000823127256 607224682 /nfs/dbraw/zinc/22/46/82/607224682.db2.gz XWASSKOHQPWHPU-UHFFFAOYSA-N 0 1 387.835 0.456 20 0 GCADMN C[C@H](CN1CCCC1=O)NCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824414220 607815195 /nfs/dbraw/zinc/81/51/95/607815195.db2.gz XPCONJPIZLVAGO-GFCCVEGCSA-N 0 1 378.458 0.241 20 0 GCADMN Cc1nn(C)c(C)c1CNCCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826333689 607815681 /nfs/dbraw/zinc/81/56/81/607815681.db2.gz RDQKELQQSMRJRC-UHFFFAOYSA-N 0 1 375.458 0.781 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826390230 607838443 /nfs/dbraw/zinc/83/84/43/607838443.db2.gz UOJGAPNWTLRAST-GFCCVEGCSA-N 0 1 376.852 0.834 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)c(-c3nnn[n-]3)n2)CC1 ZINC000826390230 607838444 /nfs/dbraw/zinc/83/84/44/607838444.db2.gz UOJGAPNWTLRAST-GFCCVEGCSA-N 0 1 376.852 0.834 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826390230 607838445 /nfs/dbraw/zinc/83/84/45/607838445.db2.gz UOJGAPNWTLRAST-GFCCVEGCSA-N 0 1 376.852 0.834 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)c(-c3nn[n-]n3)n2)CC1 ZINC000826390230 607838446 /nfs/dbraw/zinc/83/84/46/607838446.db2.gz UOJGAPNWTLRAST-GFCCVEGCSA-N 0 1 376.852 0.834 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000826390318 607838461 /nfs/dbraw/zinc/83/84/61/607838461.db2.gz WRXZBMGPVNNHKD-OAHLLOKOSA-N 0 1 393.455 0.728 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c3ccccc3nnc2-c2nnn[n-]2)CC1 ZINC000826390318 607838462 /nfs/dbraw/zinc/83/84/62/607838462.db2.gz WRXZBMGPVNNHKD-OAHLLOKOSA-N 0 1 393.455 0.728 20 0 GCADMN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000826390318 607838463 /nfs/dbraw/zinc/83/84/63/607838463.db2.gz WRXZBMGPVNNHKD-OAHLLOKOSA-N 0 1 393.455 0.728 20 0 GCADMN NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c3ccccc3nnc2-c2nn[n-]n2)CC1 ZINC000826390318 607838464 /nfs/dbraw/zinc/83/84/64/607838464.db2.gz WRXZBMGPVNNHKD-OAHLLOKOSA-N 0 1 393.455 0.728 20 0 GCADMN CC(C)CN1CCO[C@H](CNC(=O)COc2cccc(F)c2-c2nn[nH]n2)C1 ZINC000824261875 607864004 /nfs/dbraw/zinc/86/40/04/607864004.db2.gz SODHETSVINNKHW-CYBMUJFWSA-N 0 1 392.435 0.858 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3cc(C)nn32)c1-c1nnn[n-]1 ZINC000826077575 608019807 /nfs/dbraw/zinc/01/98/07/608019807.db2.gz MYYAWRKKCNWZLU-UHFFFAOYSA-N 0 1 395.431 0.654 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)nc3cc(C)nn32)c1-c1nn[n-]n1 ZINC000826077575 608019808 /nfs/dbraw/zinc/01/98/08/608019808.db2.gz MYYAWRKKCNWZLU-UHFFFAOYSA-N 0 1 395.431 0.654 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1-c1nnn[n-]1 ZINC000826073541 608020207 /nfs/dbraw/zinc/02/02/07/608020207.db2.gz WNICHNQYABTKMI-MNOVXSKESA-N 0 1 378.437 0.264 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)OC[C@@H]2CCCO2)c1-c1nn[n-]n1 ZINC000826073541 608020208 /nfs/dbraw/zinc/02/02/08/608020208.db2.gz WNICHNQYABTKMI-MNOVXSKESA-N 0 1 378.437 0.264 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)c1-c1nnn[n-]1 ZINC000826077766 608020525 /nfs/dbraw/zinc/02/05/25/608020525.db2.gz UUIAOLXRTADSTC-WDEREUQCSA-N 0 1 390.448 0.660 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CCC[C@@H](C(=O)OC)C2)c1-c1nn[n-]n1 ZINC000826077766 608020526 /nfs/dbraw/zinc/02/05/26/608020526.db2.gz UUIAOLXRTADSTC-WDEREUQCSA-N 0 1 390.448 0.660 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2COc3ccccc3O2)c1-c1nnn[n-]1 ZINC000826077343 608021282 /nfs/dbraw/zinc/02/12/82/608021282.db2.gz DUOLYJFYGSGCJX-ZDUSSCGKSA-N 0 1 384.400 0.520 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H]2COc3ccccc3O2)c1-c1nn[n-]n1 ZINC000826077343 608021283 /nfs/dbraw/zinc/02/12/83/608021283.db2.gz DUOLYJFYGSGCJX-ZDUSSCGKSA-N 0 1 384.400 0.520 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)noc2Cl)c1-c1nnn[n-]1 ZINC000826077748 608021587 /nfs/dbraw/zinc/02/15/87/608021587.db2.gz SYFRBVVCFWKNSW-UHFFFAOYSA-N 0 1 379.812 0.873 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)Cc2c(C)noc2Cl)c1-c1nn[n-]n1 ZINC000826077748 608021588 /nfs/dbraw/zinc/02/15/88/608021588.db2.gz SYFRBVVCFWKNSW-UHFFFAOYSA-N 0 1 379.812 0.873 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)c1-c1nnn[n-]1 ZINC000826083423 608021590 /nfs/dbraw/zinc/02/15/90/608021590.db2.gz LLMREKPKKHINDB-UHFFFAOYSA-N 0 1 396.415 0.586 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)c1-c1nn[n-]n1 ZINC000826083423 608021591 /nfs/dbraw/zinc/02/15/91/608021591.db2.gz LLMREKPKKHINDB-UHFFFAOYSA-N 0 1 396.415 0.586 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826077369 608021893 /nfs/dbraw/zinc/02/18/93/608021893.db2.gz GAVXBDXISSBTCS-JTQLQIEISA-N 0 1 389.464 0.327 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1-c1nn[n-]n1 ZINC000826077369 608021894 /nfs/dbraw/zinc/02/18/94/608021894.db2.gz GAVXBDXISSBTCS-JTQLQIEISA-N 0 1 389.464 0.327 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c(=O)oc3c2)c1-c1nnn[n-]1 ZINC000826084312 608022355 /nfs/dbraw/zinc/02/23/55/608022355.db2.gz YPRAXEQRFPPVBP-UHFFFAOYSA-N 0 1 383.372 0.841 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc3[nH]c(=O)oc3c2)c1-c1nn[n-]n1 ZINC000826084312 608022356 /nfs/dbraw/zinc/02/23/56/608022356.db2.gz YPRAXEQRFPPVBP-UHFFFAOYSA-N 0 1 383.372 0.841 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3ccnn3)c2)c1-c1nnn[n-]1 ZINC000826083404 608022555 /nfs/dbraw/zinc/02/25/55/608022555.db2.gz KUHFYXOACNCGSE-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(-n3ccnn3)c2)c1-c1nn[n-]n1 ZINC000826083404 608022556 /nfs/dbraw/zinc/02/25/56/608022556.db2.gz KUHFYXOACNCGSE-UHFFFAOYSA-N 0 1 393.415 0.575 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000826425690 608031706 /nfs/dbraw/zinc/03/17/06/608031706.db2.gz OUMDWTMOGZOZLJ-UHFFFAOYSA-N 0 1 390.354 0.559 20 0 GCADMN C[N@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825933338 608034134 /nfs/dbraw/zinc/03/41/34/608034134.db2.gz BYHYFWKWJMJAHP-AWEZNQCLSA-N 0 1 381.444 0.842 20 0 GCADMN C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[n-]n1)[C@H]1CCN(c2ccccc2)C1=O ZINC000825933338 608034135 /nfs/dbraw/zinc/03/41/35/608034135.db2.gz BYHYFWKWJMJAHP-AWEZNQCLSA-N 0 1 381.444 0.842 20 0 GCADMN COc1cc(-c2nn[nH]n2)ccc1OCCN1CCC(CS(N)(=O)=O)CC1 ZINC000826175437 608040208 /nfs/dbraw/zinc/04/02/08/608040208.db2.gz FEBUNIPOQJLIAA-UHFFFAOYSA-N 0 1 396.473 0.255 20 0 GCADMN C[C@H]1CN(CC(=O)Nc2c(-c3nnn[n-]3)cnn2-c2ccccc2)C[C@H]1[NH+](C)C ZINC000824984167 608086863 /nfs/dbraw/zinc/08/68/63/608086863.db2.gz HEFPVRUQNMNZGI-XJKSGUPXSA-N 0 1 395.471 0.873 20 0 GCADMN C[C@H]1CN(CC(=O)Nc2c(-c3nn[n-]n3)cnn2-c2ccccc2)C[C@H]1[NH+](C)C ZINC000824984167 608086864 /nfs/dbraw/zinc/08/68/64/608086864.db2.gz HEFPVRUQNMNZGI-XJKSGUPXSA-N 0 1 395.471 0.873 20 0 GCADMN COc1ccc(-c2nn[nH]n2)cc1NC(=O)C(=O)N[C@H](C)c1n[nH]c(C(C)C)n1 ZINC000826184685 608107479 /nfs/dbraw/zinc/10/74/79/608107479.db2.gz GYEYBQVBIBNLRA-SECBINFHSA-N 0 1 399.415 0.933 20 0 GCADMN CCc1nc([C@@H](C)NC(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)n[nH]1 ZINC000825740358 608108354 /nfs/dbraw/zinc/10/83/54/608108354.db2.gz STZAFZYMHUSGFX-SECBINFHSA-N 0 1 393.415 0.806 20 0 GCADMN O=C(CN1CCCC[C@H]1[C@@H]1CNC(=O)C1)Nc1sccc1-c1nn[nH]n1 ZINC000826478427 608169355 /nfs/dbraw/zinc/16/93/55/608169355.db2.gz BIUSKIWFEGQQNK-JQWIXIFHSA-N 0 1 375.458 0.857 20 0 GCADMN CC[C@@H](C)[C@@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825058890 608193409 /nfs/dbraw/zinc/19/34/09/608193409.db2.gz BBEUPBLSFJXAFF-ZWNOBZJWSA-N 0 1 375.433 0.788 20 0 GCADMN CC[C@H](C)[C@H](O)C(=O)N1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000825058887 608193421 /nfs/dbraw/zinc/19/34/21/608193421.db2.gz BBEUPBLSFJXAFF-GWCFXTLKSA-N 0 1 375.433 0.788 20 0 GCADMN C[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)[C@@H](O)c1c(F)cccc1Cl ZINC000824492446 608202456 /nfs/dbraw/zinc/20/24/56/608202456.db2.gz ZAGZPWYQPHFBCE-JVXZTZIISA-N 0 1 380.771 0.489 20 0 GCADMN NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000826394953 608220825 /nfs/dbraw/zinc/22/08/25/608220825.db2.gz GEWDZJZWUUTDMX-UHFFFAOYSA-N 0 1 398.401 0.454 20 0 GCADMN Nc1nc(-n2cccn2)cc(N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)n1 ZINC000826396206 608223615 /nfs/dbraw/zinc/22/36/15/608223615.db2.gz MONYNSBTYNDNNP-UHFFFAOYSA-N 0 1 390.415 0.146 20 0 GCADMN Cc1nc(C(=O)N2CCN(c3oc(-c4ccco4)nc3-c3nn[nH]n3)CC2)no1 ZINC000826323553 608309698 /nfs/dbraw/zinc/30/96/98/608309698.db2.gz IPMMERHFLWYIEE-UHFFFAOYSA-N 0 1 397.355 0.769 20 0 GCADMN C[C@@H]1CN(C(=O)Cn2cnc(-c3nnn[n-]3)n2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000824968953 608316602 /nfs/dbraw/zinc/31/66/02/608316602.db2.gz RDOYXBITXBRFFX-KGLIPLIRSA-N 0 1 381.444 0.580 20 0 GCADMN CCCn1cc(C(=O)N2CCN(c3oc(C4CC4)nc3-c3nn[nH]n3)CC2)nn1 ZINC000825356940 608330342 /nfs/dbraw/zinc/33/03/42/608330342.db2.gz RBVVURQNTWKQNB-UHFFFAOYSA-N 0 1 398.431 0.696 20 0 GCADMN COC1CCN(CCNS(=O)(=O)Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000826147165 608338121 /nfs/dbraw/zinc/33/81/21/608338121.db2.gz OZJDKKGLJWBLNS-UHFFFAOYSA-N 0 1 398.464 0.536 20 0 GCADMN COC[C@](C)(NS(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(=O)OC ZINC000826148285 608339235 /nfs/dbraw/zinc/33/92/35/608339235.db2.gz DRUGEAYMJHJJCF-AWEZNQCLSA-N 0 1 387.393 0.003 20 0 GCADMN CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)NCCC[NH+]2CCCC2)n1 ZINC000824147423 608339691 /nfs/dbraw/zinc/33/96/91/608339691.db2.gz CIPDDGHYNKHJMW-UHFFFAOYSA-N 0 1 389.464 0.359 20 0 GCADMN CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)NCCC[NH+]2CCCC2)n1 ZINC000824147423 608339693 /nfs/dbraw/zinc/33/96/93/608339693.db2.gz CIPDDGHYNKHJMW-UHFFFAOYSA-N 0 1 389.464 0.359 20 0 GCADMN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nnn[n-]1)C1CC1 ZINC000825849621 608353667 /nfs/dbraw/zinc/35/36/67/608353667.db2.gz LGUIJFXJTJJLKJ-LBPRGKRZSA-N 0 1 389.464 0.213 20 0 GCADMN C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1)C1CC1 ZINC000825849621 608353669 /nfs/dbraw/zinc/35/36/69/608353669.db2.gz LGUIJFXJTJJLKJ-LBPRGKRZSA-N 0 1 389.464 0.213 20 0 GCADMN C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824947543 608355077 /nfs/dbraw/zinc/35/50/77/608355077.db2.gz OMKFLLYGROGILZ-LLVKDONJSA-N 0 1 389.464 0.357 20 0 GCADMN C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1nn(C(C)(C)C)cc1-c1nn[n-]n1 ZINC000824947543 608355079 /nfs/dbraw/zinc/35/50/79/608355079.db2.gz OMKFLLYGROGILZ-LLVKDONJSA-N 0 1 389.464 0.357 20 0 GCADMN C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nnn[n-]2)C[C@H]1[NH+](C)C ZINC000824967646 608356111 /nfs/dbraw/zinc/35/61/11/608356111.db2.gz LXSBAFQBTKDPTN-ZYHUDNBSSA-N 0 1 389.464 0.165 20 0 GCADMN C[C@@H]1CN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[n-]n2)C[C@H]1[NH+](C)C ZINC000824967646 608356113 /nfs/dbraw/zinc/35/61/13/608356113.db2.gz LXSBAFQBTKDPTN-ZYHUDNBSSA-N 0 1 389.464 0.165 20 0 GCADMN CN1CCN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)C(C)(C)C1 ZINC000826037749 608383809 /nfs/dbraw/zinc/38/38/09/608383809.db2.gz CEDBIBLGTSBQQG-UHFFFAOYSA-N 0 1 381.444 0.801 20 0 GCADMN O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826437185 608407355 /nfs/dbraw/zinc/40/73/55/608407355.db2.gz ZSPGUGYKWBLFKL-UHFFFAOYSA-N 0 1 399.503 0.865 20 0 GCADMN O=C(NCCC[NH+]1CCCCC1)C1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826437185 608407358 /nfs/dbraw/zinc/40/73/58/608407358.db2.gz ZSPGUGYKWBLFKL-UHFFFAOYSA-N 0 1 399.503 0.865 20 0 GCADMN CS[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[nH]n3)cc2C)C[C@H]1N(C)C ZINC000826227664 608443413 /nfs/dbraw/zinc/44/34/13/608443413.db2.gz VGYHRHSIOKWMJT-CHWSQXEVSA-N 0 1 382.515 0.841 20 0 GCADMN C[C@@H](N[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824532936 608460321 /nfs/dbraw/zinc/46/03/21/608460321.db2.gz YLYLDSJOYPDRSP-SUNKGSAMSA-N 0 1 378.458 0.209 20 0 GCADMN CCN(C(=O)CN[C@@H](C)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000825372327 608490141 /nfs/dbraw/zinc/49/01/41/608490141.db2.gz VRAUCHULGNWAOJ-SWLSCSKDSA-N 0 1 392.485 0.553 20 0 GCADMN O=C(CNC1(c2cccc(-c3nn[nH]n3)c2)CC1)N1CCC2(CC1)OCCO2 ZINC000826412229 608532584 /nfs/dbraw/zinc/53/25/84/608532584.db2.gz HCKSMKDEGRHHHS-UHFFFAOYSA-N 0 1 384.440 0.811 20 0 GCADMN C[C@@H]1CN(C(=O)c2ccc(-n3ncc(-c4nn[nH]n4)c3N)cc2)[C@@H](C)CN1C ZINC000824978321 608597474 /nfs/dbraw/zinc/59/74/74/608597474.db2.gz VSGMVHSCSUMCKP-NEPJUHHUSA-N 0 1 381.444 0.799 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000826425190 608610351 /nfs/dbraw/zinc/61/03/51/608610351.db2.gz SSNRDANSMOULSS-UHFFFAOYSA-N 0 1 386.391 0.805 20 0 GCADMN C[C@H](NCCS(=O)(=O)N1CCOCC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824600187 609150764 /nfs/dbraw/zinc/15/07/64/609150764.db2.gz XNXQFJRCWCGBCG-NSHDSACASA-N 0 1 384.437 0.318 20 0 GCADMN O=C(NCCCCN1CCN(c2ncccn2)CC1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826436250 609209275 /nfs/dbraw/zinc/20/92/75/609209275.db2.gz NMIIDYATUAYQLR-UHFFFAOYSA-N 0 1 396.459 0.317 20 0 GCADMN O=C([C@H](O)c1ccc(-c2nn[nH]n2)cc1)N1CCN(CC2CCOCC2)CC1 ZINC000826397727 609234354 /nfs/dbraw/zinc/23/43/54/609234354.db2.gz JNJFBLUPBDVDEL-QGZVFWFLSA-N 0 1 386.456 0.471 20 0 GCADMN CN(C)C1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CCC1 ZINC000825850745 609265747 /nfs/dbraw/zinc/26/57/47/609265747.db2.gz RNCREMZREUIPMO-HNNXBMFYSA-N 0 1 383.456 0.963 20 0 GCADMN CC(C)(C)[C@H](NC(=O)Cn1cnc(-c2nn[nH]n2)n1)C(=O)OCc1ccccc1 ZINC000824130460 609265968 /nfs/dbraw/zinc/26/59/68/609265968.db2.gz KMKNLGFTNZLEFN-CQSZACIVSA-N 0 1 398.427 0.733 20 0 GCADMN COc1ccc([C@@H](NC(=O)Cn2cnc(-c3nn[nH]n3)n2)C(F)(F)F)cc1 ZINC000826188831 609267096 /nfs/dbraw/zinc/26/70/96/609267096.db2.gz IDHBLUUCPWZYBF-LLVKDONJSA-N 0 1 382.306 0.887 20 0 GCADMN Cc1nc(CN2CCN(C(=O)c3ccc(Cl)c(-c4nn[nH]n4)c3)CC2)n[nH]1 ZINC000826325850 609292439 /nfs/dbraw/zinc/29/24/39/609292439.db2.gz OAWOGUWRAIJCCF-UHFFFAOYSA-N 0 1 387.835 0.905 20 0 GCADMN CSc1[nH]c(=O)c(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)cc1-c1nn[nH]n1 ZINC000826229620 609301125 /nfs/dbraw/zinc/30/11/25/609301125.db2.gz KYAHRSBWHPXOSU-XVKPBYJWSA-N 0 1 377.430 0.463 20 0 GCADMN O=C(Cn1cnc(-c2nn[nH]n2)n1)N(Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000826424888 609301307 /nfs/dbraw/zinc/30/13/07/609301307.db2.gz HKRBMSOYNOSPSE-NSHDSACASA-N 0 1 396.333 0.410 20 0 GCADMN CCCC[N@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825281895 609301931 /nfs/dbraw/zinc/30/19/31/609301931.db2.gz MNKMZWRMCITPIJ-UHFFFAOYSA-N 0 1 378.485 0.478 20 0 GCADMN CCCC[N@@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825281895 609301932 /nfs/dbraw/zinc/30/19/32/609301932.db2.gz MNKMZWRMCITPIJ-UHFFFAOYSA-N 0 1 378.485 0.478 20 0 GCADMN CCCC[N@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825281895 609301935 /nfs/dbraw/zinc/30/19/35/609301935.db2.gz MNKMZWRMCITPIJ-UHFFFAOYSA-N 0 1 378.485 0.478 20 0 GCADMN CCCC[N@@H+](C)CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825281895 609301937 /nfs/dbraw/zinc/30/19/37/609301937.db2.gz MNKMZWRMCITPIJ-UHFFFAOYSA-N 0 1 378.485 0.478 20 0 GCADMN CC[N@H+](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)C ZINC000825424282 609302165 /nfs/dbraw/zinc/30/21/65/609302165.db2.gz DSMXHJCLHNATSF-UHFFFAOYSA-N 0 1 378.485 0.476 20 0 GCADMN CC[N@@H+](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(C)C ZINC000825424282 609302167 /nfs/dbraw/zinc/30/21/67/609302167.db2.gz DSMXHJCLHNATSF-UHFFFAOYSA-N 0 1 378.485 0.476 20 0 GCADMN CC[N@H+](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000825424282 609302169 /nfs/dbraw/zinc/30/21/69/609302169.db2.gz DSMXHJCLHNATSF-UHFFFAOYSA-N 0 1 378.485 0.476 20 0 GCADMN CC[N@@H+](CCNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(C)C ZINC000825424282 609302171 /nfs/dbraw/zinc/30/21/71/609302171.db2.gz DSMXHJCLHNATSF-UHFFFAOYSA-N 0 1 378.485 0.476 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0.296 20 0 GCADMN CC(C)(CO)N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 ZINC000747840073 1205673950 /nfs/dbraw/zinc/67/39/50/1205673950.db2.gz ITUXSYHYAWIQFO-UHFFFAOYSA-N 0 1 380.514 0.663 20 0 GCADMN Cc1cc(N2CC[C@@H](N[C@H](C)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)C2=O)n(C)n1 ZINC000813330555 1205674848 /nfs/dbraw/zinc/67/48/48/1205674848.db2.gz ZVOSZCQRZIRFKT-BXUZGUMPSA-N 0 1 382.424 0.714 20 0 GCADMN CNS(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(C3CCOCC3)n2)cc1 ZINC001170704420 1205674971 /nfs/dbraw/zinc/67/49/71/1205674971.db2.gz LSHBBNOTQICONN-UHFFFAOYSA-N 0 1 379.442 0.537 20 0 GCADMN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1n[nH]c(C2CCOCC2)n1 ZINC001170704832 1205675167 /nfs/dbraw/zinc/67/51/67/1205675167.db2.gz PNRQDQQKRYOKNT-LBPRGKRZSA-N 0 1 383.449 0.855 20 0 GCADMN CCOC(=O)[C@H]1CSCCN1C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)CC(C)C ZINC000813405325 1205675540 /nfs/dbraw/zinc/67/55/40/1205675540.db2.gz NQVXHNHQVVHCCB-HUUCEWRRSA-N 0 1 396.513 0.990 20 0 GCADMN O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NCc1n[nH]c(C2CCOCC2)n1 ZINC001170705700 1205675771 /nfs/dbraw/zinc/67/57/71/1205675771.db2.gz ZRJXNDZOXDGHEM-CHWSQXEVSA-N 0 1 375.429 0.490 20 0 GCADMN C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC(C(N)=O)CC1 ZINC000025525170 1205676134 /nfs/dbraw/zinc/67/61/34/1205676134.db2.gz FCUCYANPLYDHHG-NWDGAFQWSA-N 0 1 382.486 0.097 20 0 GCADMN CCCc1nnc(SCC(=O)N2CCCN(C[C@H]3CCCO3)CC2)n1N ZINC000813427798 1205676290 /nfs/dbraw/zinc/67/62/90/1205676290.db2.gz LTNGUUJISLTXHW-CQSZACIVSA-N 0 1 382.534 0.750 20 0 GCADMN COC(=O)C[C@]1(NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)CC(C)C)CCCOC1 ZINC000813522363 1205676838 /nfs/dbraw/zinc/67/68/38/1205676838.db2.gz KRJPHEXTWXUDLY-HNAYVOBHSA-N 0 1 394.472 0.712 20 0 GCADMN COC(=O)[C@H]1[C@@H]2CN(C(=O)NCCN3CCN(Cc4ccccc4)CC3)C[C@@H]21 ZINC000813557803 1205676980 /nfs/dbraw/zinc/67/69/80/1205676980.db2.gz FPTBBNICWKZVPW-BWTSREIZSA-N 0 1 386.496 0.865 20 0 GCADMN C[C@H](CN1CCN(C)CC1)NC(=O)CN1c2ccccc2OC(F)(F)C1=O ZINC000814112786 1205687056 /nfs/dbraw/zinc/68/70/56/1205687056.db2.gz PNUILVRHAXKPCA-CYBMUJFWSA-N 0 1 382.411 0.757 20 0 GCADMN CN(Cc1ccccc1S(N)(=O)=O)CN1C[C@@]2(CN3CCC2CC3)OC1=O ZINC000814233299 1205688706 /nfs/dbraw/zinc/68/87/06/1205688706.db2.gz KADCZWYTXPUUFS-GOSISDBHSA-N 0 1 394.497 0.640 20 0 GCADMN CC(C)(C)c1nnc(COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)[nH]1 ZINC000814439191 1205691299 /nfs/dbraw/zinc/69/12/99/1205691299.db2.gz LZGDNBNOSIQHSL-WDEREUQCSA-N 0 1 384.458 0.181 20 0 GCADMN CC(C)(C)c1nc(COC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)n[nH]1 ZINC000814439191 1205691301 /nfs/dbraw/zinc/69/13/01/1205691301.db2.gz LZGDNBNOSIQHSL-WDEREUQCSA-N 0 1 384.458 0.181 20 0 GCADMN CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCC[C@@H](n3cc(CO)nn3)C2)CC1 ZINC000815141323 1205698575 /nfs/dbraw/zinc/69/85/75/1205698575.db2.gz AOCSNMGGXGEMGC-GDBMZVCRSA-N 0 1 394.476 0.097 20 0 GCADMN C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(OC(=O)N(C)C)CC1 ZINC000815190912 1205698958 /nfs/dbraw/zinc/69/89/58/1205698958.db2.gz DOTDHHMAHHCBJI-HNNXBMFYSA-N 0 1 390.488 0.676 20 0 GCADMN Cn1c2[n-]c(COC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)nc2c(=O)n(C)c1=O ZINC000815447532 1205704105 /nfs/dbraw/zinc/70/41/05/1205704105.db2.gz UDUYEVMUUPIHQF-ZDUSSCGKSA-N 0 1 389.456 0.801 20 0 GCADMN Cn1c2[n-]c(COC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)nc2c(=O)n(C)c1=O ZINC000815447532 1205704106 /nfs/dbraw/zinc/70/41/06/1205704106.db2.gz UDUYEVMUUPIHQF-ZDUSSCGKSA-N 0 1 389.456 0.801 20 0 GCADMN O=C(CN1c2ccccc2OC(F)(F)C1=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000815519067 1205705583 /nfs/dbraw/zinc/70/55/83/1205705583.db2.gz KPRXVPYRBBIWOI-NSHDSACASA-N 0 1 380.311 0.118 20 0 GCADMN CCOc1ccc2c(c1)CN(CCn1cnc3c1c(=O)n(C)c(=O)n3C)CC2 ZINC000064013723 1205708979 /nfs/dbraw/zinc/70/89/79/1205708979.db2.gz NFTRLFWBJCAMNW-UHFFFAOYSA-N 0 1 383.452 0.891 20 0 GCADMN COC(=O)Nc1ccc(CNC(=O)CN2CCN(Cc3nnc[nH]3)CC2)cc1 ZINC001171684942 1205709554 /nfs/dbraw/zinc/70/95/54/1205709554.db2.gz QLALDOWATLXTGB-UHFFFAOYSA-N 0 1 387.444 0.417 20 0 GCADMN C[C@H](CCCCNCc1nnc2n1CCOC2)NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001171859691 1205710341 /nfs/dbraw/zinc/71/03/41/1205710341.db2.gz HEFNNRHBOSWZBF-TVRAHDOYSA-N 0 1 389.500 0.996 20 0 GCADMN COCC(=O)NCc1cc(=O)n2c(n1)CN(C1C[C@H]3CC[C@@H](C1)O3)CCC2 ZINC001172225507 1205714528 /nfs/dbraw/zinc/71/45/28/1205714528.db2.gz VCTSKGSSZVQGFT-MQVJKMGUSA-N 0 1 376.457 0.422 20 0 GCADMN CCOCC[C@H](C)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001172429334 1205715927 /nfs/dbraw/zinc/71/59/27/1205715927.db2.gz WRUZQVMCUGXYEI-JYJNAYRXSA-N 0 1 384.521 0.398 20 0 GCADMN COc1cccc2c1C[C@@H](NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)CO2 ZINC001173159452 1205719019 /nfs/dbraw/zinc/71/90/19/1205719019.db2.gz HOKZKQFESJBYKN-PBHICJAKSA-N 0 1 399.447 0.507 20 0 GCADMN CS(=O)(=O)N1CC[C@@H](CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ccccn2)C3)C1 ZINC001095102043 1205719383 /nfs/dbraw/zinc/71/93/83/1205719383.db2.gz LVOIBBLUDKPQPI-JHNDHUHGSA-N 0 1 378.498 0.698 20 0 GCADMN CCN1CC[C@@H](N(Cc2cc(=O)n3c(n2)CNCCC3)S(=O)(=O)C2CC2)C1 ZINC001173364084 1205720102 /nfs/dbraw/zinc/72/01/02/1205720102.db2.gz SVPYXQPVHYBXMQ-OAHLLOKOSA-N 0 1 395.529 0.125 20 0 GCADMN O=C(CN1CCC(N2CCN3C(=O)COC[C@@H]3C2)CC1)OCc1ccccc1 ZINC001173474922 1205720936 /nfs/dbraw/zinc/72/09/36/1205720936.db2.gz VGXFYNSMGUTASB-IBGZPJMESA-N 0 1 387.480 0.737 20 0 GCADMN COC(=O)[C@@H]1C[C@@H](N2CCN(CCCO)CC2)CCN1C(=O)c1ccccc1 ZINC001173501647 1205721631 /nfs/dbraw/zinc/72/16/31/1205721631.db2.gz HMAUWXQEGRJNEI-OALUTQOASA-N 0 1 389.496 0.833 20 0 GCADMN COC(=O)[C@H]1C[C@H](N2CCN(CCCO)CC2)CCN1C(=O)c1ccccc1 ZINC001173501649 1205721744 /nfs/dbraw/zinc/72/17/44/1205721744.db2.gz HMAUWXQEGRJNEI-RTBURBONSA-N 0 1 389.496 0.833 20 0 GCADMN COC(=O)[C@@H]1C[C@@H](n2cnc(C[C@H](N)C(N)=O)c2)CCN1C(=O)c1ccccc1 ZINC001173508509 1205722075 /nfs/dbraw/zinc/72/20/75/1205722075.db2.gz OQPPGAGLEPOOQS-ULQDDVLXSA-N 0 1 399.451 0.257 20 0 GCADMN CC[C@@]1(C(=O)OC)C[C@H](NCC(=O)N2CCOCC2)CN1C(=O)OC(C)(C)C ZINC001173541215 1205722647 /nfs/dbraw/zinc/72/26/47/1205722647.db2.gz NDEAHVTYIOCSKS-LIRRHRJNSA-N 0 1 399.488 0.766 20 0 GCADMN CC[C@]1(C(=O)OC)C[C@H](NC2(C(N)=O)CCOCC2)CN1C(=O)OC(C)(C)C ZINC001173534308 1205723456 /nfs/dbraw/zinc/72/34/56/1205723456.db2.gz NRYOWCBCBVGOFE-ORAYPTAESA-N 0 1 399.488 0.942 20 0 GCADMN CC[C@]1(C(=O)OC)C[C@@H](NC2(C(N)=O)CCOCC2)CN1C(=O)OC(C)(C)C ZINC001173534304 1205723550 /nfs/dbraw/zinc/72/35/50/1205723550.db2.gz NRYOWCBCBVGOFE-BFUOFWGJSA-N 0 1 399.488 0.942 20 0 GCADMN COC(=O)[C@@H]1C[C@H](n2cc(C[C@H](N)C(N)=O)c3ccccc32)C[C@@H]1C(=O)OC ZINC001173567766 1205723626 /nfs/dbraw/zinc/72/36/26/1205723626.db2.gz JECOVQIPBJJHKE-UKMLZYKCSA-N 0 1 387.436 0.910 20 0 GCADMN COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3CN(C(C)=O)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173572866 1205724003 /nfs/dbraw/zinc/72/40/03/1205724003.db2.gz BDOMIHMMJJIOOT-NQNKBUKLSA-N 0 1 382.457 0.296 20 0 GCADMN COC(=O)[C@@H]1C[C@@H](N2CCC(NC(=O)C3CCOCC3)CC2)C[C@@H]1C(=O)OC ZINC001173576786 1205724594 /nfs/dbraw/zinc/72/45/94/1205724594.db2.gz CCLSAVPPHDNMQB-OSYLJGHBSA-N 0 1 396.484 0.734 20 0 GCADMN COC(=O)[C@@H]1C[C@@H](N2CCC(N(C)S(C)(=O)=O)CC2)C[C@@H]1C(=O)OC ZINC001173583329 1205725081 /nfs/dbraw/zinc/72/50/81/1205725081.db2.gz PVEMWCPIEGJOKB-ZSOGYDGISA-N 0 1 376.475 0.083 20 0 GCADMN COC(=O)[C@@H]1C[C@@H](N2CC[C@H](Oc3ncc(OC)cn3)C2)C[C@@H]1C(=O)OC ZINC001173587656 1205725148 /nfs/dbraw/zinc/72/51/48/1205725148.db2.gz OJTVEXPUTHYSPV-NZBPQXDJSA-N 0 1 379.413 0.679 20 0 GCADMN Cc1nn(C)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C[C@H](O)CN1CCCC1=O ZINC001095245892 1205725375 /nfs/dbraw/zinc/72/53/75/1205725375.db2.gz SZGWWAYWJKMETG-JHNDHUHGSA-N 0 1 375.473 0.047 20 0 GCADMN COC(=O)[C@@H]1C[C@H](N2CC[C@H](Oc3nccc(OC)n3)C2)C[C@@H]1C(=O)OC ZINC001173587836 1205725486 /nfs/dbraw/zinc/72/54/86/1205725486.db2.gz FGSCARGGHVQUEN-FQUUOJAGSA-N 0 1 379.413 0.679 20 0 GCADMN CCN(C)C(=O)CO[C@@H]1CCCN([C@H]2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)C1 ZINC001173587894 1205725576 /nfs/dbraw/zinc/72/55/76/1205725576.db2.gz FVQFUQBMYDWFDB-LVQVYYBASA-N 0 1 384.473 0.687 20 0 GCADMN 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