smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc(-c2cccc(C(N)=[NH2+])c2)cc1 ZINC000013441147 562963226 /nfs/dbraw/zinc/96/32/26/562963226.db2.gz XYMVNSQIFOGUAS-UHFFFAOYSA-N 3 2 494.643 5.438 1 0 JKAFLP CCc1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1 ZINC000013441158 562963231 /nfs/dbraw/zinc/96/32/31/562963231.db2.gz ZKBVWSCAGDYYEK-UHFFFAOYSA-N 3 2 494.643 5.438 1 0 JKAFLP CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NCc1ccccc1 ZINC000013489402 562968651 /nfs/dbraw/zinc/96/86/51/562968651.db2.gz FDLPZASLZAJVML-JILBELABSA-N 2 2 462.682 6.004 1 0 JKAFLP Cn1cncc1[C@@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1[nH+]ccn12 ZINC000013587830 562977454 /nfs/dbraw/zinc/97/74/54/562977454.db2.gz CGJFRYFIVOQHJK-MUUNZHRXSA-N 2 2 498.417 6.445 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cccc3c2n1[C@H](C1CCCCC1)CC3 ZINC000013740438 562986834 /nfs/dbraw/zinc/98/68/34/562986834.db2.gz SNSQNTMMECTXHN-NDEPHWFRSA-N 2 2 456.678 6.085 1 0 JKAFLP Cc1cccn2cc(-c3ccc(OCCC[NH+]([C@H](C)c4ccccc4)[C@H](C)c4ccccc4)cc3)[nH+]c12 ZINC000013819572 562997227 /nfs/dbraw/zinc/99/72/27/562997227.db2.gz STGUFHDPMAXHPU-KAYWLYCHSA-N 2 2 489.663 7.903 1 0 JKAFLP C[NH+]1CCN(Cc2cc(Nc3[nH]c4ccc(Oc5ccnc6ccccc65)cc4[nH+]3)ccc2Cl)CC1 ZINC000022878364 563017359 /nfs/dbraw/zinc/01/73/59/563017359.db2.gz NVFBMDKKXKOASI-UHFFFAOYSA-N 2 2 499.018 6.048 1 0 JKAFLP C[NH+]1CCN(Cc2cc(Nc3[nH]c4cc(Oc5ccnc6ccccc65)ccc4[nH+]3)ccc2Cl)CC1 ZINC000022878364 563017360 /nfs/dbraw/zinc/01/73/60/563017360.db2.gz NVFBMDKKXKOASI-UHFFFAOYSA-N 2 2 499.018 6.048 1 0 JKAFLP Nc1[nH+]cnc2c1c(-c1ccc(Oc3ccccc3)cc1)c(C[NH+]1CCOCC1)n2C1CCCC1 ZINC000026270138 563025056 /nfs/dbraw/zinc/02/50/56/563025056.db2.gz ZSGNCHLJBWLFSG-UHFFFAOYSA-N 2 2 469.589 5.420 1 0 JKAFLP COc1cc(-c2c(C)c3cccc4c3n2C[C@@H](CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)O4)ccc1O ZINC000026473180 563028031 /nfs/dbraw/zinc/02/80/31/563028031.db2.gz NJNGWQSMOHNUIR-HSZRJFAPSA-N 2 2 498.627 5.008 1 0 JKAFLP CC1CC[NH+](CCCCCC(=O)Nc2cc(CO)cc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)CC1 ZINC000026719610 563033783 /nfs/dbraw/zinc/03/37/83/563033783.db2.gz DJYLVGCLAJCMBX-UHFFFAOYSA-N 2 2 495.067 6.355 1 0 JKAFLP CC1CC[NH+](CCC(=O)Nc2cc(CO)cc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)CC1 ZINC000026720843 563033903 /nfs/dbraw/zinc/03/39/03/563033903.db2.gz LZCSDFKRUPKDNA-UHFFFAOYSA-N 2 2 452.986 5.185 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(C(F)(F)F)cc2)CC1 ZINC000027526662 563045682 /nfs/dbraw/zinc/04/56/82/563045682.db2.gz UHRYHSTVRPWBMU-UHFFFAOYSA-N 2 2 462.581 6.068 1 0 JKAFLP Cc1cc(Br)ccc1OCc1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000027547044 563045768 /nfs/dbraw/zinc/04/57/68/563045768.db2.gz VIVUAJAVSCRXCV-UHFFFAOYSA-N 2 2 487.507 6.120 1 0 JKAFLP CO[C@H](c1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000027548726 563045914 /nfs/dbraw/zinc/04/59/14/563045914.db2.gz LJDAALZDONFJEB-DEOSSOPVSA-N 2 2 477.501 6.512 1 0 JKAFLP Clc1ccc2c(NCC[NH2+]CCCC[NH2+]CCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000027726278 563050464 /nfs/dbraw/zinc/05/04/64/563050464.db2.gz CJWXXXWQZSXTSA-UHFFFAOYSA-N 4 2 497.474 5.573 1 0 JKAFLP CC[C@@H](C)c1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028021346 563055318 /nfs/dbraw/zinc/05/53/18/563055318.db2.gz VAFXSZNDHFVLNK-LJQANCHMSA-N 3 2 496.659 5.876 1 0 JKAFLP CC(=[NH2+])N1CCC(Oc2ccc3c(c2)[nH+]c(C(C)C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028091243 563055594 /nfs/dbraw/zinc/05/55/94/563055594.db2.gz KGPZQXDFVFKKHK-UHFFFAOYSA-N 3 2 482.632 5.486 1 0 JKAFLP Brc1cc(C[NH+]2CCCCC2)cc(Br)c1OCCC[NH+]1CCCCC1 ZINC000028568900 563070233 /nfs/dbraw/zinc/07/02/33/563070233.db2.gz LHICIPDDOYLSSA-UHFFFAOYSA-N 2 2 474.281 5.452 1 0 JKAFLP O=C(c1ccc(Nc2cc[nH+]c3cc(C(F)(F)F)ccc23)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000028768365 563079011 /nfs/dbraw/zinc/07/90/11/563079011.db2.gz YZNWCPNFYRJMEN-UHFFFAOYSA-N 2 2 477.490 5.355 1 0 JKAFLP C[C@H]([NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824124 563081813 /nfs/dbraw/zinc/08/18/13/563081813.db2.gz HKGFIJWTQBGSPO-IBGZPJMESA-N 2 2 492.023 5.066 1 0 JKAFLP CSc1ccc([C@@H]2C[N@H+](C)Cc3cc(Oc4nc(C[NH+]5CCCCC5)cs4)ccc32)cc1 ZINC000028827088 563082834 /nfs/dbraw/zinc/08/28/34/563082834.db2.gz ISCCKNOQYHJXGM-VWLOTQADSA-N 2 2 465.688 6.221 1 0 JKAFLP CSc1ccc([C@@H]2C[N@@H+](C)Cc3cc(Oc4nc(C[NH+]5CCCCC5)cs4)ccc32)cc1 ZINC000028827088 563082836 /nfs/dbraw/zinc/08/28/36/563082836.db2.gz ISCCKNOQYHJXGM-VWLOTQADSA-N 2 2 465.688 6.221 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000028903782 563086480 /nfs/dbraw/zinc/08/64/80/563086480.db2.gz RXVZIOKWBWYSOH-HSZRJFAPSA-N 2 2 484.047 6.459 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000028903782 563086481 /nfs/dbraw/zinc/08/64/81/563086481.db2.gz RXVZIOKWBWYSOH-HSZRJFAPSA-N 2 2 484.047 6.459 1 0 JKAFLP C[N@@H+]1CCC[C@@H]1CCNc1nc(NC2CCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038929 563090914 /nfs/dbraw/zinc/09/09/14/563090914.db2.gz GMTQJAATUOQEJE-KSJZQUJJSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@H+]1CCC[C@@H]1CCNc1nc(NC2CCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038929 563090916 /nfs/dbraw/zinc/09/09/16/563090916.db2.gz GMTQJAATUOQEJE-KSJZQUJJSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@@H+]1CCC[C@@H]1CCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCCC2)[nH+]1 ZINC000029038929 563090918 /nfs/dbraw/zinc/09/09/18/563090918.db2.gz GMTQJAATUOQEJE-KSJZQUJJSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@H+]1CCC[C@@H]1CCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCCC2)[nH+]1 ZINC000029038929 563090920 /nfs/dbraw/zinc/09/09/20/563090920.db2.gz GMTQJAATUOQEJE-KSJZQUJJSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@@H+]1CCC[C@@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038929 563090921 /nfs/dbraw/zinc/09/09/21/563090921.db2.gz GMTQJAATUOQEJE-KSJZQUJJSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@H+]1CCC[C@@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038929 563090923 /nfs/dbraw/zinc/09/09/23/563090923.db2.gz GMTQJAATUOQEJE-KSJZQUJJSA-N 2 2 467.706 5.283 1 0 JKAFLP CO[C@@H]1C[N@H+](C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)[nH+]c2cc(C)ccc21 ZINC000029129046 563096627 /nfs/dbraw/zinc/09/66/27/563096627.db2.gz MFKHVNDQMBWBBI-PISWEHOVSA-N 2 2 468.439 5.092 1 0 JKAFLP CO[C@@H]1C[N@@H+](C[C@H]2Cc3ccc(Br)cc3C2)CC[C@H]1n1c(C)[nH+]c2cc(C)ccc21 ZINC000029129046 563096629 /nfs/dbraw/zinc/09/66/29/563096629.db2.gz MFKHVNDQMBWBBI-PISWEHOVSA-N 2 2 468.439 5.092 1 0 JKAFLP Cc1cccc(CCc2ccc3[nH+]c(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134519 563097880 /nfs/dbraw/zinc/09/78/80/563097880.db2.gz GJCIHRROWOGURB-UHFFFAOYSA-N 2 2 469.633 5.093 1 0 JKAFLP Clc1ccc2c(c1)nccc2[C@@](c1ccccc1)(c1ccc(C[NH+]2CCCC2)cc1)n1cc[nH+]c1 ZINC000029135413 563098108 /nfs/dbraw/zinc/09/81/08/563098108.db2.gz MADOIFCQUKLARP-SSEXGKCCSA-N 2 2 479.027 6.521 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCCCOc3ccccc3)CC2)cc1 ZINC000029559664 563106903 /nfs/dbraw/zinc/10/69/03/563106903.db2.gz VSABRSOYBLLFII-UHFFFAOYSA-N 2 2 472.608 5.959 1 0 JKAFLP COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000029569286 563107619 /nfs/dbraw/zinc/10/76/19/563107619.db2.gz UUBOECXKHUDSTQ-UHFFFAOYSA-N 2 2 488.607 5.360 1 0 JKAFLP CC(=O)O[C@@H]1[C@H](n2cc[nH+]c2)C[C@H]2[C@@H]3CC=C4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000031872202 563108840 /nfs/dbraw/zinc/10/88/40/563108840.db2.gz KZPNCXIHDYJAKC-YMKXYDDHSA-N 2 2 451.655 5.393 1 0 JKAFLP CC(C)CC[N@@H+]1CCC[C@H](Cn2c3ccccc3nc2C[NH+](C)[C@H]2CCCc3cccnc32)C1 ZINC000034821260 563116702 /nfs/dbraw/zinc/11/67/02/563116702.db2.gz GHZOBXUUQBAKHP-HOFKKMOUSA-N 2 2 459.682 5.699 1 0 JKAFLP CC(C)CC[N@H+]1CCC[C@H](Cn2c3ccccc3nc2C[NH+](C)[C@H]2CCCc3cccnc32)C1 ZINC000034821260 563116703 /nfs/dbraw/zinc/11/67/03/563116703.db2.gz GHZOBXUUQBAKHP-HOFKKMOUSA-N 2 2 459.682 5.699 1 0 JKAFLP CC(C)CC[NH+]1CCC[C@H](Cn2c3ccccc3nc2C[N@H+](C)[C@H]2CCCc3cccnc32)C1 ZINC000034821260 563116704 /nfs/dbraw/zinc/11/67/04/563116704.db2.gz GHZOBXUUQBAKHP-HOFKKMOUSA-N 2 2 459.682 5.699 1 0 JKAFLP CC(C)CC[NH+]1CCC[C@H](Cn2c3ccccc3nc2C[N@@H+](C)[C@H]2CCCc3cccnc32)C1 ZINC000034821260 563116705 /nfs/dbraw/zinc/11/67/05/563116705.db2.gz GHZOBXUUQBAKHP-HOFKKMOUSA-N 2 2 459.682 5.699 1 0 JKAFLP CC(C)(C)c1ccc(C[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]Cc2ccc(C(C)(C)C)cc2)cc1 ZINC000034893464 563117479 /nfs/dbraw/zinc/11/74/79/563117479.db2.gz QOEUHBVXCHBRFV-UHFFFAOYSA-N 4 2 480.785 5.511 1 0 JKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000038246215 563133573 /nfs/dbraw/zinc/13/35/73/563133573.db2.gz MAWQRPMJZURDTA-UHFFFAOYSA-N 2 2 499.634 5.864 1 0 JKAFLP O[C@@]12CCCCCC[C@H]3CC[NH+]4CCC[C@@H](CCCCCC[C@H]5CC[N@@H+](CCC1)[C@@H]2O5)[C@H]4O3 ZINC000038801963 563135471 /nfs/dbraw/zinc/13/54/71/563135471.db2.gz DAHFKODECRYGAQ-DMJLDDAMSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@@]12CCCCCC[C@H]3CC[NH+]4CCC[C@@H](CCCCCC[C@H]5CC[N@H+](CCC1)[C@@H]2O5)[C@H]4O3 ZINC000038801963 563135472 /nfs/dbraw/zinc/13/54/72/563135472.db2.gz DAHFKODECRYGAQ-DMJLDDAMSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@@]12CCCCCC[C@H]3CC[N@H+]4CCC[C@@H](CCCCCC[C@H]5CC[NH+](CCC1)[C@@H]2O5)[C@H]4O3 ZINC000038801963 563135473 /nfs/dbraw/zinc/13/54/73/563135473.db2.gz DAHFKODECRYGAQ-DMJLDDAMSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@@]12CCCCCC[C@H]3CC[N@@H+]4CCC[C@@H](CCCCCC[C@H]5CC[NH+](CCC1)[C@@H]2O5)[C@H]4O3 ZINC000038801963 563135474 /nfs/dbraw/zinc/13/54/74/563135474.db2.gz DAHFKODECRYGAQ-DMJLDDAMSA-N 2 2 462.719 5.450 1 0 JKAFLP CCc1ccc(-c2[nH]c3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)[nH+]2)cc1 ZINC000040846341 563149284 /nfs/dbraw/zinc/14/92/84/563149284.db2.gz URTUULKRXQMCJT-UHFFFAOYSA-N 2 2 498.656 5.532 1 0 JKAFLP Clc1ccc2c(Nc3ccc(Cl)c(C[NH+]4CCN(c5ccccn5)CC4)c3)cc[nH+]c2c1 ZINC000040917384 563155945 /nfs/dbraw/zinc/15/59/45/563155945.db2.gz CTAFLEZNKYCGGV-UHFFFAOYSA-N 2 2 464.400 6.002 1 0 JKAFLP [NH3+]CC[N@@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040938235 563158368 /nfs/dbraw/zinc/15/83/68/563158368.db2.gz AXRODXJNFUJSHT-SJWXKMTISA-N 3 2 472.504 5.912 1 0 JKAFLP [NH3+]CC[N@H+]1CCC2([NH+]3CCCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040938235 563158370 /nfs/dbraw/zinc/15/83/70/563158370.db2.gz AXRODXJNFUJSHT-SJWXKMTISA-N 3 2 472.504 5.912 1 0 JKAFLP COCC[NH2+]Cc1ncsc1-c1ccc2c(Nc3cc(O)c(Cl)cc3F)cc[nH+]c2c1 ZINC000045167367 563173145 /nfs/dbraw/zinc/17/31/45/563173145.db2.gz BERTZRPYUGIHBU-UHFFFAOYSA-N 2 2 458.946 5.336 1 0 JKAFLP C[NH+](C)CCNCc1nc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)cs1 ZINC000045168330 563173735 /nfs/dbraw/zinc/17/37/35/563173735.db2.gz GXXYHCWOEVLDOQ-UHFFFAOYSA-N 2 2 455.990 5.546 1 0 JKAFLP CN(C)CC[NH2+]Cc1nc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)cs1 ZINC000045168330 563173736 /nfs/dbraw/zinc/17/37/36/563173736.db2.gz GXXYHCWOEVLDOQ-UHFFFAOYSA-N 2 2 455.990 5.546 1 0 JKAFLP Fc1ccc2nc(-c3cccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)c3)[nH]c2c1 ZINC000045169041 563174022 /nfs/dbraw/zinc/17/40/22/563174022.db2.gz KTERHGWERQNFFG-UHFFFAOYSA-N 2 2 463.560 5.753 1 0 JKAFLP c1ccc2cc(C[NH2+]CCCN3CC[NH+](CCC[NH2+]Cc4ccc5ccccc5c4)CC3)ccc2c1 ZINC000045168958 563174109 /nfs/dbraw/zinc/17/41/09/563174109.db2.gz AXRSFVUVBMMRHY-UHFFFAOYSA-N 3 2 480.700 5.270 1 0 JKAFLP C[N@@H+]1CCC[C@H]1COc1ccc(C[NH+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000045186829 563174217 /nfs/dbraw/zinc/17/42/17/563174217.db2.gz VOTQNGZIETYHQC-OALUTQOASA-N 2 2 496.866 5.124 1 0 JKAFLP C[N@H+]1CCC[C@H]1COc1ccc(C[NH+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000045186829 563174218 /nfs/dbraw/zinc/17/42/18/563174218.db2.gz VOTQNGZIETYHQC-OALUTQOASA-N 2 2 496.866 5.124 1 0 JKAFLP C[NH+]1CCC[C@H]1COc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000045186829 563174220 /nfs/dbraw/zinc/17/42/20/563174220.db2.gz VOTQNGZIETYHQC-OALUTQOASA-N 2 2 496.866 5.124 1 0 JKAFLP C[NH+]1CCC[C@H]1COc1ccc(C[N@H+]2CC[C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1Cl ZINC000045186829 563174222 /nfs/dbraw/zinc/17/42/22/563174222.db2.gz VOTQNGZIETYHQC-OALUTQOASA-N 2 2 496.866 5.124 1 0 JKAFLP C[NH+]1CCN(Cc2ccc(-c3ccc4c(Nc5cc(O)c(Cl)cc5F)cc[nH+]c4c3)o2)CC1 ZINC000045187771 563174516 /nfs/dbraw/zinc/17/45/16/563174516.db2.gz ATEQKRNIUXNIMT-UHFFFAOYSA-N 2 2 466.944 5.484 1 0 JKAFLP CN1CC[NH+](Cc2ccc(-c3ccc4c(Nc5cc(O)c(Cl)cc5F)cc[nH+]c4c3)o2)CC1 ZINC000045187771 563174517 /nfs/dbraw/zinc/17/45/17/563174517.db2.gz ATEQKRNIUXNIMT-UHFFFAOYSA-N 2 2 466.944 5.484 1 0 JKAFLP O=C1OC2(CN1C[C@H]1CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190279 563175532 /nfs/dbraw/zinc/17/55/32/563175532.db2.gz UZSXPNUFEKCDID-QHCPKHFHSA-N 2 2 476.580 5.071 1 0 JKAFLP O=C1OC2(CN1C[C@H]1CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190279 563175533 /nfs/dbraw/zinc/17/55/33/563175533.db2.gz UZSXPNUFEKCDID-QHCPKHFHSA-N 2 2 476.580 5.071 1 0 JKAFLP O=C(Nc1cccc(C[N@@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045191545 563175905 /nfs/dbraw/zinc/17/59/05/563175905.db2.gz RNQVFZAHBKZEOK-UHFFFAOYSA-N 2 2 465.601 5.037 1 0 JKAFLP O=C(Nc1cccc(C[N@H+]2CCCN(Cc3[nH]cc[nH+]3)CC2)c1)c1ccc(-c2ccccc2)cc1 ZINC000045191545 563175906 /nfs/dbraw/zinc/17/59/06/563175906.db2.gz RNQVFZAHBKZEOK-UHFFFAOYSA-N 2 2 465.601 5.037 1 0 JKAFLP Cc1cc(NC[C@H]2CC[N@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)[nH+]1 ZINC000045192608 563176370 /nfs/dbraw/zinc/17/63/70/563176370.db2.gz KYIBBTJIIFUPAW-LJQANCHMSA-N 2 2 458.448 5.605 1 0 JKAFLP Cc1cc(NC[C@H]2CC[N@@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)[nH+]1 ZINC000045192608 563176371 /nfs/dbraw/zinc/17/63/71/563176371.db2.gz KYIBBTJIIFUPAW-LJQANCHMSA-N 2 2 458.448 5.605 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194223 563176957 /nfs/dbraw/zinc/17/69/57/563176957.db2.gz RZTGJOWDCYUBSS-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194223 563176959 /nfs/dbraw/zinc/17/69/59/563176959.db2.gz RZTGJOWDCYUBSS-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045194223 563176960 /nfs/dbraw/zinc/17/69/60/563176960.db2.gz RZTGJOWDCYUBSS-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045194223 563176962 /nfs/dbraw/zinc/17/69/62/563176962.db2.gz RZTGJOWDCYUBSS-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP CN(CC[NH+](C)C)Cc1cccc(-c2ccc3c(Nc4cc(O)c(Cl)cc4F)cc[nH+]c3c2)c1 ZINC000045194327 563177064 /nfs/dbraw/zinc/17/70/64/563177064.db2.gz PBCHJPNHRXFGEU-UHFFFAOYSA-N 2 2 478.999 6.137 1 0 JKAFLP CN(C)CC[N@H+](C)Cc1cccc(-c2ccc3c(Nc4cc(O)c(Cl)cc4F)cc[nH+]c3c2)c1 ZINC000045194327 563177065 /nfs/dbraw/zinc/17/70/65/563177065.db2.gz PBCHJPNHRXFGEU-UHFFFAOYSA-N 2 2 478.999 6.137 1 0 JKAFLP CN(C)CC[N@@H+](C)Cc1cccc(-c2ccc3c(Nc4cc(O)c(Cl)cc4F)cc[nH+]c3c2)c1 ZINC000045194327 563177066 /nfs/dbraw/zinc/17/70/66/563177066.db2.gz PBCHJPNHRXFGEU-UHFFFAOYSA-N 2 2 478.999 6.137 1 0 JKAFLP Cc1ccc(NS(=O)(=O)c2ccc([C@@H](C)[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)cc1C ZINC000045210750 563179481 /nfs/dbraw/zinc/17/94/81/563179481.db2.gz UEKSMIATYWACFP-JOCHJYFZSA-N 2 2 455.668 5.116 1 0 JKAFLP CN(CC[NH+](C)C)Cc1cccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)c1 ZINC000045211111 563179591 /nfs/dbraw/zinc/17/95/91/563179591.db2.gz RXNZKWDNHJATPV-UHFFFAOYSA-N 2 2 463.000 6.431 1 0 JKAFLP CN(C)CC[N@H+](C)Cc1cccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)c1 ZINC000045211111 563179592 /nfs/dbraw/zinc/17/95/92/563179592.db2.gz RXNZKWDNHJATPV-UHFFFAOYSA-N 2 2 463.000 6.431 1 0 JKAFLP CN(C)CC[N@@H+](C)Cc1cccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)c1 ZINC000045211111 563179593 /nfs/dbraw/zinc/17/95/93/563179593.db2.gz RXNZKWDNHJATPV-UHFFFAOYSA-N 2 2 463.000 6.431 1 0 JKAFLP Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)[NH+](C)[C@H](C)C5)cc34)cc2C)cc(C)[nH+]1 ZINC000045227133 563179884 /nfs/dbraw/zinc/17/98/84/563179884.db2.gz MBYXZTHDGYFIBC-FGZHOGPDSA-N 2 2 482.628 6.201 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228197 563180273 /nfs/dbraw/zinc/18/02/73/563180273.db2.gz JBXUQRUWMCTWJY-GOSISDBHSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228197 563180275 /nfs/dbraw/zinc/18/02/75/563180275.db2.gz JBXUQRUWMCTWJY-GOSISDBHSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000045228197 563180277 /nfs/dbraw/zinc/18/02/77/563180277.db2.gz JBXUQRUWMCTWJY-GOSISDBHSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000045228197 563180279 /nfs/dbraw/zinc/18/02/79/563180279.db2.gz JBXUQRUWMCTWJY-GOSISDBHSA-N 2 2 456.537 5.900 1 0 JKAFLP Clc1ccc2c(NCCC[NH2+]CCC[NH+](Cc3ccccc3)Cc3ccccc3)cc[nH+]c2c1 ZINC000045291279 563185051 /nfs/dbraw/zinc/18/50/51/563185051.db2.gz UNBZPBXNPHILGR-UHFFFAOYSA-N 3 2 473.064 6.372 1 0 JKAFLP Cc1cc(-c2ccc(NC(=O)Nc3ccc4[nH+]ccc(N5CC[NH+](C)CC5)c4c3)cc2C)cc(C)[nH+]1 ZINC000045302350 563186330 /nfs/dbraw/zinc/18/63/30/563186330.db2.gz JDLWKNGAVONVPX-UHFFFAOYSA-N 3 2 480.616 5.618 1 0 JKAFLP C[N@@H+]1CCC[C@@H]([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000045389971 563195015 /nfs/dbraw/zinc/19/50/15/563195015.db2.gz KGKFKQGQYIUQAL-QLWXXVCSSA-N 2 2 481.684 5.436 1 0 JKAFLP C[N@H+]1CCC[C@@H]([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000045389971 563195016 /nfs/dbraw/zinc/19/50/16/563195016.db2.gz KGKFKQGQYIUQAL-QLWXXVCSSA-N 2 2 481.684 5.436 1 0 JKAFLP CCCc1nc(-c2ccccc2)c(C[NH2+]CCC[NH+]2CCN(c3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000053294158 563205573 /nfs/dbraw/zinc/20/55/73/563205573.db2.gz LZLJNXIZDNWXDQ-UHFFFAOYSA-N 2 2 486.582 5.615 1 0 JKAFLP FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3ccc(-c4ccccc4)c[nH+]3)CC2)c1 ZINC000058582930 563207869 /nfs/dbraw/zinc/20/78/69/563207869.db2.gz UDUOGLZZYDDSKR-UHFFFAOYSA-N 2 2 454.540 5.782 1 0 JKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(C)cc3)CC2)c1 ZINC000058583120 563207874 /nfs/dbraw/zinc/20/78/74/563207874.db2.gz RHBVLGNNZHBQPC-UHFFFAOYSA-N 2 2 481.644 5.974 1 0 JKAFLP Fc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583206 563207913 /nfs/dbraw/zinc/20/79/13/563207913.db2.gz BTOMEJNPPWKKEO-UHFFFAOYSA-N 2 2 463.000 6.500 1 0 JKAFLP Cc1[nH]c2ccc(C3CC[NH+](CCCCc4nc5ccccc5n4-c4ccc(F)cc4)CC3)cc2[nH+]1 ZINC000058591030 563208147 /nfs/dbraw/zinc/20/81/47/563208147.db2.gz RDEGTKAAUHCPEX-UHFFFAOYSA-N 2 2 481.619 6.552 1 0 JKAFLP CC1=[NH+][C@H]2CC[C@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)[NH2+]1 ZINC000100773122 571817644 /nfs/dbraw/zinc/81/76/44/571817644.db2.gz KGQYREIAHMZYSA-OJGLOBPSSA-N 2 2 476.702 6.049 1 0 endogenous,in-man JKAFLP CCc1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc(-c2ccc(C(N)=[NH2+])cc2)cc1 ZINC000013441153 562963196 /nfs/dbraw/zinc/96/31/96/562963196.db2.gz KCQIXXZEEFUYGH-UHFFFAOYSA-N 3 2 494.643 5.438 1 0 JKAFLP CCc1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc(-c2ccc(C(N)=[NH2+])cc2)cc1 ZINC000013441145 562963270 /nfs/dbraw/zinc/96/32/70/562963270.db2.gz VKNTYOZSHHKHTK-UHFFFAOYSA-N 3 2 494.643 5.438 1 0 JKAFLP c1[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]c1CC[NH2+]CCCCCc1ccccn1 ZINC000013530324 562972172 /nfs/dbraw/zinc/97/21/72/562972172.db2.gz ISYZXIQFYBYIKC-UHFFFAOYSA-N 2 2 452.646 6.115 1 0 JKAFLP c1[nH+]c(CCC(c2ccccc2)c2ccccc2)[nH]c1CC[NH2+]CCCCCc1ccccn1 ZINC000013530324 562972174 /nfs/dbraw/zinc/97/21/74/562972174.db2.gz ISYZXIQFYBYIKC-UHFFFAOYSA-N 2 2 452.646 6.115 1 0 JKAFLP CN(C[C@H](CC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534628 562972477 /nfs/dbraw/zinc/97/24/77/562972477.db2.gz JCIUNIFVMIPOCX-QFIPXVFZSA-N 2 2 485.459 5.773 1 0 JKAFLP [NH2+]=C1NC(=[NH2+])N(c2cccc(Cl)c2)[C@@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000013559327 562974844 /nfs/dbraw/zinc/97/48/44/562974844.db2.gz MNCDAFBBQIQRLQ-IBGZPJMESA-N 2 2 460.752 5.587 1 0 JKAFLP NC(=O)C1CC[NH+](Cc2ccc(-c3cc4[nH+]ccc(Nc5ccc6[nH]ccc6c5)c4s3)cc2)CC1 ZINC000013588184 562977538 /nfs/dbraw/zinc/97/75/38/562977538.db2.gz ULUUNYJTTJIXHY-UHFFFAOYSA-N 2 2 481.625 5.886 1 0 JKAFLP Cc1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[NH2+]CCOCCO)cc5)sc43)ccc2[nH]1 ZINC000013588196 562977546 /nfs/dbraw/zinc/97/75/46/562977546.db2.gz SJSZXGFLISXGGM-UHFFFAOYSA-N 2 2 472.614 5.595 1 0 JKAFLP c1ccc2c(c1)[nH+]c1c(c2CCCCCCCCNc2c3ccccc3[nH+]c3c2CCCC3)CCCC1 ZINC000013612210 562979595 /nfs/dbraw/zinc/97/95/95/562979595.db2.gz LEWUCBWUGAIBAD-UHFFFAOYSA-N 2 2 491.723 8.536 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cc(C(=O)c3ccccc3)cc3c2n1CCC3 ZINC000013740429 562986692 /nfs/dbraw/zinc/98/66/92/562986692.db2.gz LPAZSLIJHCVLRR-UHFFFAOYSA-N 2 2 478.640 5.195 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cc(NC(=O)c3ccccc3)cc3c2n1CCC3 ZINC000013740424 562986789 /nfs/dbraw/zinc/98/67/89/562986789.db2.gz RXLNEEMRNQZQSQ-UHFFFAOYSA-N 2 2 493.655 5.216 1 0 JKAFLP CC[NH+](CC)CCn1c2ccc(OC)cc2c2c1nc[nH+]c2Nc1cccc(Br)c1 ZINC000013803529 562994739 /nfs/dbraw/zinc/99/47/39/562994739.db2.gz KGOOHLRXQJDOJF-UHFFFAOYSA-N 2 2 468.399 5.441 1 0 JKAFLP CC[NH+](CC)CCCCCNc1cc2c(c[nH+]1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C ZINC000021289488 563016606 /nfs/dbraw/zinc/01/66/06/563016606.db2.gz YRRHAVKHTFWTLV-UHFFFAOYSA-N 2 2 461.437 5.831 1 0 JKAFLP c1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[NH2+]CCN6CC[NH2+]CC6)cc5)sc43)ccc2[nH]1 ZINC000022932307 563018509 /nfs/dbraw/zinc/01/85/09/563018509.db2.gz CCUYECGXGAFGTM-UHFFFAOYSA-N 3 2 482.657 5.183 1 0 JKAFLP Cc1[nH+]c[nH]c1CN1c2ccccc2C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1CCc1ccccc1 ZINC000025984437 563021034 /nfs/dbraw/zinc/02/10/34/563021034.db2.gz WVMMDJDPEOYFFD-PMERELPUSA-N 2 2 492.711 7.039 1 0 JKAFLP Cc1[nH+]c[nH]c1CN1c2ccccc2C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1CCc1ccccc1 ZINC000025984437 563021035 /nfs/dbraw/zinc/02/10/35/563021035.db2.gz WVMMDJDPEOYFFD-PMERELPUSA-N 2 2 492.711 7.039 1 0 JKAFLP Clc1ccc2c(NCCCCCCCCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026251034 563024391 /nfs/dbraw/zinc/02/43/91/563024391.db2.gz KDYJKTSJYZZCJT-UHFFFAOYSA-N 2 2 495.498 8.735 1 0 JKAFLP Cc1ccc(OCc2sc3ccccc3c2CC[NH+]2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000027548391 563045899 /nfs/dbraw/zinc/04/58/99/563045899.db2.gz JWDOLSUXPXUZTH-UHFFFAOYSA-N 2 2 487.507 6.120 1 0 JKAFLP COc1ccccc1N1CC[NH+](CCCCOc2ccc(-c3cn4cccc(C)c4[nH+]3)cc2)CC1 ZINC000028711430 563076493 /nfs/dbraw/zinc/07/64/93/563076493.db2.gz DZWGDUHDXDFOQC-UHFFFAOYSA-N 2 2 470.617 5.300 1 0 JKAFLP CC[NH+](CC)CCC[C@@H](C)Nc1nc(NCc2ccc(Cl)cc2Cl)[nH+]c2ccccc21 ZINC000028817845 563079993 /nfs/dbraw/zinc/07/99/93/563079993.db2.gz IYAPHDTVUXJQJI-QGZVFWFLSA-N 2 2 460.453 6.471 1 0 JKAFLP CC[NH+](CC)CCC[C@@H](C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2ccccc2[nH+]1 ZINC000028817849 563079999 /nfs/dbraw/zinc/07/99/99/563079999.db2.gz UJHLMZOBIOSUBF-QGZVFWFLSA-N 2 2 460.453 6.471 1 0 JKAFLP COCCNc1[nH+]c2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc2n1CCC[NH+]1CCCCC1 ZINC000028823429 563081661 /nfs/dbraw/zinc/08/16/61/563081661.db2.gz ANEGFCALWBSPHV-UHFFFAOYSA-N 2 2 499.744 5.505 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](Cc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000028827102 563082886 /nfs/dbraw/zinc/08/28/86/563082886.db2.gz ADRXLGLHNMXDTH-UHFFFAOYSA-N 2 2 453.565 5.782 1 0 JKAFLP Cc1cccc2c(C[NH+]3CCC(Nc4[nH+]c5ccccc5n4Cc4ccc(F)cc4)CC3)c[nH]c21 ZINC000028827103 563082904 /nfs/dbraw/zinc/08/29/04/563082904.db2.gz MFMPELJBKAXJQA-UHFFFAOYSA-N 2 2 467.592 6.090 1 0 JKAFLP Cc1c[nH+]ccc1CC[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872552 563084266 /nfs/dbraw/zinc/08/42/66/563084266.db2.gz XWJPSPMNDHNLFX-HTGSUXDGSA-N 2 2 460.706 6.663 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000028903772 563086505 /nfs/dbraw/zinc/08/65/05/563086505.db2.gz PBOMPIPAGGZQEV-JOCHJYFZSA-N 2 2 470.020 6.241 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000028903772 563086507 /nfs/dbraw/zinc/08/65/07/563086507.db2.gz PBOMPIPAGGZQEV-JOCHJYFZSA-N 2 2 470.020 6.241 1 0 JKAFLP CC[N@H+](CCc1ccccc1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1C ZINC000028903403 563086563 /nfs/dbraw/zinc/08/65/63/563086563.db2.gz YJVHONZZJXYMFG-UHFFFAOYSA-N 2 2 451.618 5.971 1 0 JKAFLP CC[N@@H+](CCc1ccccc1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1C ZINC000028903403 563086564 /nfs/dbraw/zinc/08/65/64/563086564.db2.gz YJVHONZZJXYMFG-UHFFFAOYSA-N 2 2 451.618 5.971 1 0 JKAFLP CCCC[NH+](CCCC)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903708 563086580 /nfs/dbraw/zinc/08/65/80/563086580.db2.gz QVRMPSNMXGPZHS-UHFFFAOYSA-N 2 2 452.046 6.654 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCc2ccccc2)[nH+]1 ZINC000029038882 563090884 /nfs/dbraw/zinc/09/08/84/563090884.db2.gz VMEZWIDYNQNRIR-UHFFFAOYSA-N 2 2 463.674 5.008 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038882 563090886 /nfs/dbraw/zinc/09/08/86/563090886.db2.gz VMEZWIDYNQNRIR-UHFFFAOYSA-N 2 2 463.674 5.008 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NCc2ccccc2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038882 563090887 /nfs/dbraw/zinc/09/08/87/563090887.db2.gz VMEZWIDYNQNRIR-UHFFFAOYSA-N 2 2 463.674 5.008 1 0 JKAFLP Cc1cccc(SCc2ccc3[nH+]c(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134600 563098024 /nfs/dbraw/zinc/09/80/24/563098024.db2.gz IHBOQFFLDKEZOC-UHFFFAOYSA-N 2 2 487.673 5.600 1 0 JKAFLP C[NH+](CCNc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1)CCNc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000029406445 563102896 /nfs/dbraw/zinc/10/28/96/563102896.db2.gz RPXNBYNLXIIKFU-UHFFFAOYSA-N 3 2 487.222 5.509 1 0 JKAFLP C[N@H+](CCNc1nc2cc(Cl)c(Cl)cc2[nH]1)CCNc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000029406445 563102898 /nfs/dbraw/zinc/10/28/98/563102898.db2.gz RPXNBYNLXIIKFU-UHFFFAOYSA-N 2 2 487.222 5.509 1 0 JKAFLP C[N@@H+](CCNc1nc2cc(Cl)c(Cl)cc2[nH]1)CCNc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000029406445 563102900 /nfs/dbraw/zinc/10/29/00/563102900.db2.gz RPXNBYNLXIIKFU-UHFFFAOYSA-N 2 2 487.222 5.509 1 0 JKAFLP CCOc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)cc1 ZINC000029561111 563107086 /nfs/dbraw/zinc/10/70/86/563107086.db2.gz GFUXDGSOGUBYEW-UHFFFAOYSA-N 2 2 454.618 5.602 1 0 JKAFLP COc1ccc(OCCC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029566684 563107399 /nfs/dbraw/zinc/10/73/99/563107399.db2.gz RONIMSYKESHVMU-UHFFFAOYSA-N 2 2 488.607 5.578 1 0 JKAFLP Fc1ccc(Cn2c3ccc(Cl)cc3[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029569404 563107634 /nfs/dbraw/zinc/10/76/34/563107634.db2.gz KFGLWLRQKHVRLP-UHFFFAOYSA-N 2 2 463.000 5.996 1 0 JKAFLP CC(=O)O[C@@H]1[C@H](n2cc[nH+]c2)C[C@H]2[C@@H]3CC=C4C[C@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000031872205 563108815 /nfs/dbraw/zinc/10/88/15/563108815.db2.gz KZPNCXIHDYJAKC-DNDKEACUSA-N 2 2 451.655 5.393 1 0 JKAFLP CCOc1ccc(Cc2[nH+]c3cc(NC(=N)c4ccco4)ccc3n2CC[NH+](CC)CC)cc1 ZINC000034875294 563117269 /nfs/dbraw/zinc/11/72/69/563117269.db2.gz FXXWLOMRPPITQS-UHFFFAOYSA-N 2 2 459.594 5.398 1 0 JKAFLP Clc1cccc(N2CC[NH+](CCCCNc3cc(-c4ccccc4)cc[nH+]3)CC2)c1Cl ZINC000035833376 563120534 /nfs/dbraw/zinc/12/05/34/563120534.db2.gz SDZGFAGZLJLJSV-UHFFFAOYSA-N 2 2 455.433 6.070 1 0 JKAFLP CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1 ZINC000040380706 563137678 /nfs/dbraw/zinc/13/76/78/563137678.db2.gz GKGQDCJHDFORFK-UHFFFAOYSA-N 2 2 450.413 7.794 1 0 JKAFLP COc1cc2[nH+]cc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1NCC[NH+]1CCCCC1 ZINC000040409610 563140544 /nfs/dbraw/zinc/14/05/44/563140544.db2.gz YHGSJALOKNKHQN-UHFFFAOYSA-N 2 2 488.419 5.291 1 0 JKAFLP O[C@]12CCCCCC[C@@H]3CC[NH+]4CCC[C@@H](CCCCCC[C@@H]5CC[N@@H+](CCC1)[C@H]2O5)[C@@H]4O3 ZINC000040877935 563152556 /nfs/dbraw/zinc/15/25/56/563152556.db2.gz DAHFKODECRYGAQ-HKVPEBPQSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@]12CCCCCC[C@@H]3CC[NH+]4CCC[C@@H](CCCCCC[C@@H]5CC[N@H+](CCC1)[C@H]2O5)[C@@H]4O3 ZINC000040877935 563152558 /nfs/dbraw/zinc/15/25/58/563152558.db2.gz DAHFKODECRYGAQ-HKVPEBPQSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@]12CCCCCC[C@@H]3CC[N@H+]4CCC[C@@H](CCCCCC[C@@H]5CC[NH+](CCC1)[C@H]2O5)[C@@H]4O3 ZINC000040877935 563152559 /nfs/dbraw/zinc/15/25/59/563152559.db2.gz DAHFKODECRYGAQ-HKVPEBPQSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@]12CCCCCC[C@@H]3CC[N@@H+]4CCC[C@@H](CCCCCC[C@@H]5CC[NH+](CCC1)[C@H]2O5)[C@@H]4O3 ZINC000040877935 563152561 /nfs/dbraw/zinc/15/25/61/563152561.db2.gz DAHFKODECRYGAQ-HKVPEBPQSA-N 2 2 462.719 5.450 1 0 JKAFLP CCOC(=O)C[N@@H+]1CCC2([NH+](C)C)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040939803 563158786 /nfs/dbraw/zinc/15/87/86/563158786.db2.gz IJFPWBHWVIOWLM-ANBAMDCGSA-N 2 2 475.460 5.592 1 0 JKAFLP CCOC(=O)C[N@H+]1CCC2([NH+](C)C)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040939803 563158787 /nfs/dbraw/zinc/15/87/87/563158787.db2.gz IJFPWBHWVIOWLM-ANBAMDCGSA-N 2 2 475.460 5.592 1 0 JKAFLP Cc1nc(C)c(C[NH+]2CCN(c3cccc4[nH+]c(-c5ccc(C(C)(C)C)cc5)[nH]c43)CC2)s1 ZINC000040952650 563160031 /nfs/dbraw/zinc/16/00/31/563160031.db2.gz XELLOVVHUOWNOK-UHFFFAOYSA-N 2 2 459.663 5.923 1 0 JKAFLP C[NH+](C)c1ccc(NCc2c[nH+]cn2Cc2ccc(-c3ccccc3)cc2)cc1-c1ccccc1 ZINC000040953113 563160212 /nfs/dbraw/zinc/16/02/12/563160212.db2.gz LBOKBFNJUVLEJF-UHFFFAOYSA-N 2 2 458.609 6.944 1 0 JKAFLP O=C1C[C@H]1[N@@H+]1CCC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040957269 563161092 /nfs/dbraw/zinc/16/10/92/563161092.db2.gz CIBZRZOTARLCOQ-AOYPEHQESA-N 2 2 467.451 5.036 1 0 JKAFLP O=C1C[C@H]1[N@H+]1CCC[C@@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040957269 563161094 /nfs/dbraw/zinc/16/10/94/563161094.db2.gz CIBZRZOTARLCOQ-AOYPEHQESA-N 2 2 467.451 5.036 1 0 JKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3ccc(Cl)cc23)c1 ZINC000043061631 563165833 /nfs/dbraw/zinc/16/58/33/563165833.db2.gz MWHROOHRHJUXDD-UHFFFAOYSA-N 3 2 492.067 6.042 1 0 JKAFLP Fc1cc(Cl)ccc1Nc1cc[nH+]c2cc(-c3scnc3C[NH2+]CCN3CCOCC3)ccc12 ZINC000045167807 563173414 /nfs/dbraw/zinc/17/34/14/563173414.db2.gz IPUAOVSMKIRSIE-UHFFFAOYSA-N 2 2 498.027 5.316 1 0 JKAFLP c1c[nH+]c(-c2ccc(C[NH+]3CCc4ccc(N5CCC[N@@H+](Cc6ccccc6)CC5)cc4CC3)cc2)[nH]1 ZINC000045169135 563174033 /nfs/dbraw/zinc/17/40/33/563174033.db2.gz IHLJXVGKGIQKEQ-UHFFFAOYSA-N 3 2 491.683 5.390 1 0 JKAFLP c1c[nH+]c(-c2ccc(C[NH+]3CCc4ccc(N5CCC[N@H+](Cc6ccccc6)CC5)cc4CC3)cc2)[nH]1 ZINC000045169135 563174034 /nfs/dbraw/zinc/17/40/34/563174034.db2.gz IHLJXVGKGIQKEQ-UHFFFAOYSA-N 3 2 491.683 5.390 1 0 JKAFLP c1c[nH+]c(-c2ccc(C[N@H+]3CCc4ccc(N5CCC[NH+](Cc6ccccc6)CC5)cc4CC3)cc2)[nH]1 ZINC000045169135 563174035 /nfs/dbraw/zinc/17/40/35/563174035.db2.gz IHLJXVGKGIQKEQ-UHFFFAOYSA-N 3 2 491.683 5.390 1 0 JKAFLP c1c[nH+]c(-c2ccc(C[N@@H+]3CCc4ccc(N5CCC[NH+](Cc6ccccc6)CC5)cc4CC3)cc2)[nH]1 ZINC000045169135 563174036 /nfs/dbraw/zinc/17/40/36/563174036.db2.gz IHLJXVGKGIQKEQ-UHFFFAOYSA-N 3 2 491.683 5.390 1 0 JKAFLP O=C(N[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000045190064 563175393 /nfs/dbraw/zinc/17/53/93/563175393.db2.gz DNARKZAIDWEXCU-IBGZPJMESA-N 2 2 496.866 5.126 1 0 JKAFLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)c(Cl)c2)C1)c1ccc(Cl)c(Cl)c1 ZINC000045190064 563175394 /nfs/dbraw/zinc/17/53/94/563175394.db2.gz DNARKZAIDWEXCU-IBGZPJMESA-N 2 2 496.866 5.126 1 0 JKAFLP Nc1ccc2[nH]cc(C3CC[NH+](CC4CCC(NC(=O)C=Cc5ccccc5Cl)CC4)CC3)c2[nH+]1 ZINC000045190022 563175448 /nfs/dbraw/zinc/17/54/48/563175448.db2.gz MSICFRLGRCCKTG-KPKJPENVSA-N 2 2 492.067 5.366 1 0 JKAFLP C[NH+]1CCN(Cc2ccc(-c3ccc4c(Nc5ccc(Oc6ccccc6)cc5)cc[nH+]c4c3)o2)CC1 ZINC000045195497 563177497 /nfs/dbraw/zinc/17/74/97/563177497.db2.gz JGAFKNJCVDPVFU-UHFFFAOYSA-N 2 2 490.607 6.778 1 0 JKAFLP CN1CC[NH+](Cc2ccc(-c3ccc4c(Nc5ccc(Oc6ccccc6)cc5)cc[nH+]c4c3)o2)CC1 ZINC000045195497 563177499 /nfs/dbraw/zinc/17/74/99/563177499.db2.gz JGAFKNJCVDPVFU-UHFFFAOYSA-N 2 2 490.607 6.778 1 0 JKAFLP C[C@H](Cc1ccc(OCCCCOc2ccccc2)cc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000045202314 563178702 /nfs/dbraw/zinc/17/87/02/563178702.db2.gz GGQNBWVQFUZORK-HSZRJFAPSA-N 2 2 457.618 5.954 1 0 JKAFLP CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3c(Nc4ccc(F)cc4Cl)cc[nH+]c3c2)o1 ZINC000045202719 563178963 /nfs/dbraw/zinc/17/89/63/563178963.db2.gz ZVBRITBAWGTGFF-UHFFFAOYSA-N 2 2 473.957 5.165 1 0 JKAFLP CN1CC[NH+](Cc2cccc(-c3ccc4c(Nc5cc(O)c(Cl)cc5F)cc[nH+]c4c3)c2)CC1 ZINC000045202852 563178988 /nfs/dbraw/zinc/17/89/88/563178988.db2.gz YSQYVHHXTUGCDR-UHFFFAOYSA-N 2 2 476.983 5.891 1 0 JKAFLP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)c3)CC2)C1 ZINC000045226748 563179746 /nfs/dbraw/zinc/17/97/46/563179746.db2.gz UTALDSCILJYLOI-XMMPIXPASA-N 2 2 497.662 5.495 1 0 JKAFLP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)c3)CC2)C1 ZINC000045226748 563179748 /nfs/dbraw/zinc/17/97/48/563179748.db2.gz UTALDSCILJYLOI-XMMPIXPASA-N 2 2 497.662 5.495 1 0 JKAFLP CN(C)CC[NH2+]Cc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)o1 ZINC000045228085 563180336 /nfs/dbraw/zinc/18/03/36/563180336.db2.gz YRCHJGHKMSBRSK-UHFFFAOYSA-N 2 2 478.596 6.682 1 0 JKAFLP C[NH+](C)CCNCc1ccc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)o1 ZINC000045228085 563180337 /nfs/dbraw/zinc/18/03/37/563180337.db2.gz YRCHJGHKMSBRSK-UHFFFAOYSA-N 2 2 478.596 6.682 1 0 JKAFLP C[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccc(F)cc6[nH]5)c4)cc3)CC2)CC1 ZINC000045229262 563180689 /nfs/dbraw/zinc/18/06/89/563180689.db2.gz YRJMJAWCQCUQHM-UHFFFAOYSA-N 2 2 483.635 5.248 1 0 JKAFLP C[NH+]1CCN(Cc2ccc(-c3ccc4c(Nc5ccc(F)cc5Cl)cc[nH+]c4c3)o2)CC1 ZINC000045302365 563186315 /nfs/dbraw/zinc/18/63/15/563186315.db2.gz GZRVJLVCMBJSHY-UHFFFAOYSA-N 2 2 450.945 5.778 1 0 JKAFLP CN1CC[NH+](Cc2ccc(-c3ccc4c(Nc5ccc(F)cc5Cl)cc[nH+]c4c3)o2)CC1 ZINC000045302365 563186316 /nfs/dbraw/zinc/18/63/16/563186316.db2.gz GZRVJLVCMBJSHY-UHFFFAOYSA-N 2 2 450.945 5.778 1 0 JKAFLP Cc1ccc2[nH]c(-c3ccc(C=CC(=O)NC4CC[NH+](Cc5ccccc5)CC4)cc3)[nH+]c2c1C ZINC000045324268 563189141 /nfs/dbraw/zinc/18/91/41/563189141.db2.gz NMIAYXSLOXGMMN-RVDMUPIBSA-N 2 2 464.613 5.641 1 0 JKAFLP Oc1cc(Nc2cc[nH+]c3cc(-c4cccc(C[NH+]5CCCCC5)c4)ccc23)c(F)cc1Cl ZINC000045324875 563189235 /nfs/dbraw/zinc/18/92/35/563189235.db2.gz GOHXMUUTUCYNHM-UHFFFAOYSA-N 2 2 461.968 7.129 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)cc1 ZINC000049087839 563201611 /nfs/dbraw/zinc/20/16/11/563201611.db2.gz MOIAEONNKTVXJK-SSEXGKCCSA-N 2 2 487.651 6.328 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)cc1 ZINC000049087839 563201612 /nfs/dbraw/zinc/20/16/12/563201612.db2.gz MOIAEONNKTVXJK-SSEXGKCCSA-N 2 2 487.651 6.328 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)cc1 ZINC000049087841 563201619 /nfs/dbraw/zinc/20/16/19/563201619.db2.gz MOIAEONNKTVXJK-PMERELPUSA-N 2 2 487.651 6.328 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)cc1 ZINC000049087841 563201620 /nfs/dbraw/zinc/20/16/20/563201620.db2.gz MOIAEONNKTVXJK-PMERELPUSA-N 2 2 487.651 6.328 1 0 JKAFLP c1ccc2c(c1)[nH]c1c2CC[NH+](CCCCCCCCCC[N@@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000049088933 563201768 /nfs/dbraw/zinc/20/17/68/563201768.db2.gz MPNMJERUXOWHCO-UHFFFAOYSA-N 2 2 482.716 7.186 1 0 JKAFLP c1ccc2c(c1)[nH]c1c2CC[NH+](CCCCCCCCCC[N@H+]2CCc3c4ccccc4[nH]c3C2)C1 ZINC000049088933 563201769 /nfs/dbraw/zinc/20/17/69/563201769.db2.gz MPNMJERUXOWHCO-UHFFFAOYSA-N 2 2 482.716 7.186 1 0 JKAFLP CCCc1nc(-c2ccccc2)c(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000053230517 563205307 /nfs/dbraw/zinc/20/53/07/563205307.db2.gz DLCXKRUOCYZVCV-UHFFFAOYSA-N 2 2 453.030 5.249 1 0 JKAFLP CCCc1nc(-c2ccccc2)c(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)o1 ZINC000053293986 563205580 /nfs/dbraw/zinc/20/55/80/563205580.db2.gz URXQLFJLHJOMLX-UHFFFAOYSA-N 2 2 486.582 5.615 1 0 JKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058583510 563207953 /nfs/dbraw/zinc/20/79/53/563207953.db2.gz YGPADRJXSMDGIT-UHFFFAOYSA-N 2 2 485.607 5.805 1 0 JKAFLP CC1=[NH+][C@H]2CC[C@H]1OC(=O)CCCCCCC[C@@H]1CC[C@H](OC(=O)CCCCCCC2)[C@@H](C)[NH2+]1 ZINC000100773124 571817669 /nfs/dbraw/zinc/81/76/69/571817669.db2.gz KGQYREIAHMZYSA-KPJVPSPYSA-N 2 2 476.702 6.049 1 0 endogenous,in-man JKAFLP Clc1cc2nc(C3CC[NH2+]CC3)n(Cc3ccc(C[NH2+]CCCn4cc[nH+]c4)cc3)c2cc1Cl ZINC000003639566 562927505 /nfs/dbraw/zinc/92/75/05/562927505.db2.gz HQDBIZVNQBATNU-UHFFFAOYSA-N 3 2 497.474 5.235 1 0 JKAFLP O[C@]12CCCCCC[C@@H]3CC[NH+]4CCC[C@H](CCCCCC[C@@H]5CC[N@@H+](CCC1)[C@H]2O5)[C@@H]4O3 ZINC000003875304 562929696 /nfs/dbraw/zinc/92/96/96/562929696.db2.gz DAHFKODECRYGAQ-WRRPKXNSSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@]12CCCCCC[C@@H]3CC[NH+]4CCC[C@H](CCCCCC[C@@H]5CC[N@H+](CCC1)[C@H]2O5)[C@@H]4O3 ZINC000003875304 562929697 /nfs/dbraw/zinc/92/96/97/562929697.db2.gz DAHFKODECRYGAQ-WRRPKXNSSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@]12CCCCCC[C@@H]3CC[N@H+]4CCC[C@H](CCCCCC[C@@H]5CC[NH+](CCC1)[C@H]2O5)[C@@H]4O3 ZINC000003875304 562929699 /nfs/dbraw/zinc/92/96/99/562929699.db2.gz DAHFKODECRYGAQ-WRRPKXNSSA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@]12CCCCCC[C@@H]3CC[N@@H+]4CCC[C@H](CCCCCC[C@@H]5CC[NH+](CCC1)[C@H]2O5)[C@@H]4O3 ZINC000003875304 562929700 /nfs/dbraw/zinc/92/97/00/562929700.db2.gz DAHFKODECRYGAQ-WRRPKXNSSA-N 2 2 462.719 5.450 1 0 JKAFLP CCc1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1cccc(-c2ccc(C(N)=[NH2+])cc2)c1 ZINC000013441143 562963205 /nfs/dbraw/zinc/96/32/05/562963205.db2.gz NCFLYHHOMLLYCQ-UHFFFAOYSA-N 3 2 494.643 5.438 1 0 JKAFLP CC(C)(C)c1cc(CC[NH2+]Cc2cccc(NC(=[NH2+])c3cccs3)c2)cc(C(C)(C)C)c1O ZINC000013487052 562967600 /nfs/dbraw/zinc/96/76/00/562967600.db2.gz AXVXSNLVCBYXJM-UHFFFAOYSA-N 2 2 463.691 6.818 1 0 JKAFLP CC(C)(C)c1cc(CCC[NH2+]Cc2cccc(NC(=[NH2+])c3cccs3)c2)cc(C(C)(C)C)c1O ZINC000013487053 562967605 /nfs/dbraw/zinc/96/76/05/562967605.db2.gz YNXPHJZTYZMLFR-UHFFFAOYSA-N 2 2 477.718 7.209 1 0 JKAFLP Cc1cc[nH+]c(N2CC[NH+](CCc3c4cccc5c4n(c3-c3ccc(F)cc3)CCC5)CC2)c1 ZINC000013740415 562986783 /nfs/dbraw/zinc/98/67/83/562986783.db2.gz USKXYHKXCCIZPH-UHFFFAOYSA-N 2 2 454.593 5.462 1 0 JKAFLP COc1ccc(Br)cc1-c1nc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)co1 ZINC000026170177 563023339 /nfs/dbraw/zinc/02/33/39/563023339.db2.gz LJXKPIFQYYNLTO-IBGZPJMESA-N 2 2 470.411 5.067 1 0 JKAFLP COc1ccc(Br)cc1-c1nc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)co1 ZINC000026170177 563023340 /nfs/dbraw/zinc/02/33/40/563023340.db2.gz LJXKPIFQYYNLTO-IBGZPJMESA-N 2 2 470.411 5.067 1 0 JKAFLP COc1ccc(Br)cc1-c1nc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)co1 ZINC000026170177 563023341 /nfs/dbraw/zinc/02/33/41/563023341.db2.gz LJXKPIFQYYNLTO-IBGZPJMESA-N 2 2 470.411 5.067 1 0 JKAFLP COc1ccc(Br)cc1-c1nc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)co1 ZINC000026170177 563023342 /nfs/dbraw/zinc/02/33/42/563023342.db2.gz LJXKPIFQYYNLTO-IBGZPJMESA-N 2 2 470.411 5.067 1 0 JKAFLP COc1ccc(C[NH2+][C@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026997983 563038888 /nfs/dbraw/zinc/03/88/88/563038888.db2.gz BVAQUQXGHOSEIC-GJZUVCINSA-N 2 2 454.614 5.909 1 0 JKAFLP CC(C)(C)[NH2+]Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1F ZINC000027309019 563042472 /nfs/dbraw/zinc/04/24/72/563042472.db2.gz IFNYEYANDSEUAB-UHFFFAOYSA-N 2 2 468.403 7.979 1 0 JKAFLP Clc1ccc2c(NCC[NH+]3CCN(c4cc[nH+]c5cc(Cl)ccc54)CC3)cc[nH+]c2c1 ZINC000027436890 563044313 /nfs/dbraw/zinc/04/43/13/563044313.db2.gz AXGJQYDQWXCHEV-UHFFFAOYSA-N 3 2 452.389 5.324 1 0 JKAFLP CC(C)(C)[NH2+]Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1 ZINC000027517759 563044539 /nfs/dbraw/zinc/04/45/39/563044539.db2.gz HXDBUCARQYSXML-UHFFFAOYSA-N 2 2 450.413 7.840 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2C(C)(C)Oc2ccc(Cl)cc2Cl)CC1 ZINC000027547594 563045814 /nfs/dbraw/zinc/04/58/14/563045814.db2.gz QDZPKOVOEQFXFD-UHFFFAOYSA-N 2 2 491.528 7.091 1 0 JKAFLP CCCCc1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028089776 563055620 /nfs/dbraw/zinc/05/56/20/563055620.db2.gz MFYPOSMFHGOLGC-UHFFFAOYSA-N 3 2 496.659 5.705 1 0 JKAFLP CC[N@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CC1CCCCC1 ZINC000028130036 563057201 /nfs/dbraw/zinc/05/72/01/563057201.db2.gz ASRRIQICWNITQV-UHFFFAOYSA-N 3 2 461.738 6.165 1 0 JKAFLP CC[N@@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CC1CCCCC1 ZINC000028130036 563057202 /nfs/dbraw/zinc/05/72/02/563057202.db2.gz ASRRIQICWNITQV-UHFFFAOYSA-N 3 2 461.738 6.165 1 0 JKAFLP C[C@@H]([C@H](c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C ZINC000028331845 563059637 /nfs/dbraw/zinc/05/96/37/563059637.db2.gz ZYAKTISGGAZUDF-RBTNQOKQSA-N 2 2 457.618 6.332 1 0 JKAFLP C/C=C/c1ccc(OC)c(C[NH2+][C@H]2C3CC[NH+](CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1 ZINC000028463263 563064731 /nfs/dbraw/zinc/06/47/31/563064731.db2.gz QDAIXSKVDVDPKS-SEGNWMLISA-N 2 2 452.642 6.113 1 0 JKAFLP Fc1ccc(N2CC[NH+](Cc3ccc(Nc4cc[nH+]c5cc(C(F)(F)F)ccc45)cc3)CC2)cc1 ZINC000028768666 563078989 /nfs/dbraw/zinc/07/89/89/563078989.db2.gz MSGJTWJFHXBYLF-UHFFFAOYSA-N 2 2 480.509 6.459 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000028827101 563082933 /nfs/dbraw/zinc/08/29/33/563082933.db2.gz SFGYYAJTKKIMHJ-UHFFFAOYSA-N 2 2 456.565 5.235 1 0 JKAFLP Cc1c[nH+]ccc1CC[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872556 563084213 /nfs/dbraw/zinc/08/42/13/563084213.db2.gz XWJPSPMNDHNLFX-JYZYKGANSA-N 2 2 460.706 6.663 1 0 JKAFLP CCC[N@H+](CCc1ccccc1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903736 563086487 /nfs/dbraw/zinc/08/64/87/563086487.db2.gz KHQLDBMDSYKBOP-UHFFFAOYSA-N 2 2 486.063 6.707 1 0 JKAFLP CCC[N@@H+](CCc1ccccc1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903736 563086489 /nfs/dbraw/zinc/08/64/89/563086489.db2.gz KHQLDBMDSYKBOP-UHFFFAOYSA-N 2 2 486.063 6.707 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@@H](CCc2ccccc2)C1 ZINC000028903809 563086543 /nfs/dbraw/zinc/08/65/43/563086543.db2.gz PBEQQVOUDMAYFD-XMMPIXPASA-N 2 2 498.074 6.707 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CC[C@@H](CCc2ccccc2)C1 ZINC000028903809 563086544 /nfs/dbraw/zinc/08/65/44/563086544.db2.gz PBEQQVOUDMAYFD-XMMPIXPASA-N 2 2 498.074 6.707 1 0 JKAFLP CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4c[nH]c[nH+]4)cc3)nc2n1 ZINC000028980013 563090407 /nfs/dbraw/zinc/09/04/07/563090407.db2.gz HUGJYXBFDDAZEO-UHFFFAOYSA-N 2 2 452.587 5.136 1 0 JKAFLP CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCc4c[nH+]c[nH]4)cc3)nc2n1 ZINC000028980013 563090408 /nfs/dbraw/zinc/09/04/08/563090408.db2.gz HUGJYXBFDDAZEO-UHFFFAOYSA-N 2 2 452.587 5.136 1 0 JKAFLP CSc1ncc2cc(-c3ccccc3)c(-c3ccc(C[NH2+]CCCn4cc[nH+]c4)cc3)nc2n1 ZINC000028980026 563090529 /nfs/dbraw/zinc/09/05/29/563090529.db2.gz ZOGXVEIGBUMVTR-UHFFFAOYSA-N 2 2 466.614 5.457 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CC2)[nH+]1 ZINC000029038783 563091014 /nfs/dbraw/zinc/09/10/14/563091014.db2.gz WLTOXZGISGTDQK-UHFFFAOYSA-N 2 2 469.722 5.531 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038783 563091015 /nfs/dbraw/zinc/09/10/15/563091015.db2.gz WLTOXZGISGTDQK-UHFFFAOYSA-N 2 2 469.722 5.531 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038783 563091016 /nfs/dbraw/zinc/09/10/16/563091016.db2.gz WLTOXZGISGTDQK-UHFFFAOYSA-N 2 2 469.722 5.531 1 0 JKAFLP Cc1cc(C)cc(NCc2ccc3[nH+]c(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134458 563097900 /nfs/dbraw/zinc/09/79/00/563097900.db2.gz JOIHEMQQGFZZCK-UHFFFAOYSA-N 2 2 484.648 5.229 1 0 JKAFLP CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc([C@H](c3cccc(Cl)c3)n3cc[nH+]c3)cc2)CC1 ZINC000029135355 563098121 /nfs/dbraw/zinc/09/81/21/563098121.db2.gz BNLOSRQXYNQANU-XMMPIXPASA-N 2 2 467.013 5.227 1 0 JKAFLP CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc([C@@H](c3cccc(Cl)c3)n3cc[nH+]c3)cc2)CC1 ZINC000029135353 563098143 /nfs/dbraw/zinc/09/81/43/563098143.db2.gz BNLOSRQXYNQANU-DEOSSOPVSA-N 2 2 467.013 5.227 1 0 JKAFLP COc1ccc(OC)c(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029565608 563107387 /nfs/dbraw/zinc/10/73/87/563107387.db2.gz CBEBYDUPXCEZQC-UHFFFAOYSA-N 2 2 488.607 5.360 1 0 JKAFLP Cc1cc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)ccc1O ZINC000029568564 563107562 /nfs/dbraw/zinc/10/75/62/563107562.db2.gz FGHCPLVGQLEUSC-UHFFFAOYSA-N 2 2 458.581 5.357 1 0 JKAFLP O[C@H]1C[C@H]2CCCCCC[C@@H]3CC[N@@H+]4CCC[C@@H](CCCCCC[C@@H]5CC[NH+](C1)[C@H]2O5)[C@@H]4O3 ZINC000032296408 563109714 /nfs/dbraw/zinc/10/97/14/563109714.db2.gz GZPZPDSNGIBVLB-SIOWMNFYSA-N 2 2 462.719 5.306 1 0 JKAFLP O[C@H]1C[C@H]2CCCCCC[C@@H]3CC[N@H+]4CCC[C@@H](CCCCCC[C@@H]5CC[NH+](C1)[C@H]2O5)[C@@H]4O3 ZINC000032296408 563109715 /nfs/dbraw/zinc/10/97/15/563109715.db2.gz GZPZPDSNGIBVLB-SIOWMNFYSA-N 2 2 462.719 5.306 1 0 JKAFLP O[C@H]1C[C@H]2CCCCCC[C@@H]3CC[NH+]4CCC[C@@H](CCCCCC[C@@H]5CC[N@H+](C1)[C@H]2O5)[C@@H]4O3 ZINC000032296408 563109716 /nfs/dbraw/zinc/10/97/16/563109716.db2.gz GZPZPDSNGIBVLB-SIOWMNFYSA-N 2 2 462.719 5.306 1 0 JKAFLP O[C@H]1C[C@H]2CCCCCC[C@@H]3CC[NH+]4CCC[C@@H](CCCCCC[C@@H]5CC[N@@H+](C1)[C@H]2O5)[C@@H]4O3 ZINC000032296408 563109717 /nfs/dbraw/zinc/10/97/17/563109717.db2.gz GZPZPDSNGIBVLB-SIOWMNFYSA-N 2 2 462.719 5.306 1 0 JKAFLP O=C(OCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000033755277 563110805 /nfs/dbraw/zinc/11/08/05/563110805.db2.gz QMAWRWOIFQJMSQ-UHFFFAOYSA-N 2 2 487.003 5.611 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000034049449 563111900 /nfs/dbraw/zinc/11/19/00/563111900.db2.gz YPTODVXKEJXEET-GDLZYMKVSA-N 2 2 488.639 5.723 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000034049449 563111901 /nfs/dbraw/zinc/11/19/01/563111901.db2.gz YPTODVXKEJXEET-GDLZYMKVSA-N 2 2 488.639 5.723 1 0 JKAFLP CC[NH+](CC)CCCCNc1cc(-n2c3ccccc3[nH+]c2Nc2c(C)cccc2Cl)ncn1 ZINC000034803053 563116309 /nfs/dbraw/zinc/11/63/09/563116309.db2.gz INMCMWSTQIGBFV-UHFFFAOYSA-N 2 2 478.044 6.055 1 0 JKAFLP COc1ccccc1C[NH2+][C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000036323643 563125781 /nfs/dbraw/zinc/12/57/81/563125781.db2.gz WCOQELYASVJLJH-NSOVKSMOSA-N 2 2 481.467 6.387 1 0 JKAFLP FC(F)(F)c1ccc(-n2ccc(C[NH+]3CCC([NH2+]CCOc4cccc(Cl)c4)CC3)c2)cc1 ZINC000040422027 563141759 /nfs/dbraw/zinc/14/17/59/563141759.db2.gz RTDPEIGWTJIPLT-UHFFFAOYSA-N 2 2 477.958 5.783 1 0 JKAFLP O=C(C[NH+]1CCCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040592722 563146834 /nfs/dbraw/zinc/14/68/34/563146834.db2.gz CYGWCJHPTBKLCK-ABQAWVCCSA-N 2 2 472.673 5.600 1 0 JKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4ccc5ccccc5c4)CC3)[nH+]2)cc1 ZINC000040862455 563150350 /nfs/dbraw/zinc/15/03/50/563150350.db2.gz PFPQZHUMCMLIMX-UHFFFAOYSA-N 2 2 474.652 7.003 1 0 JKAFLP Clc1ccc2c(Nc3ccc(C[NH2+]C[C@@H]4CCC[N@@H+]5CCCC[C@H]45)c(Cl)c3)cc[nH+]c2c1 ZINC000040934215 563157316 /nfs/dbraw/zinc/15/73/16/563157316.db2.gz SXCHZJZOCXBKIN-AFMDSPMNSA-N 3 2 469.460 6.639 1 0 JKAFLP Clc1ccc2c(Nc3ccc(C[NH2+]C[C@@H]4CCC[N@H+]5CCCC[C@H]45)c(Cl)c3)cc[nH+]c2c1 ZINC000040934215 563157317 /nfs/dbraw/zinc/15/73/17/563157317.db2.gz SXCHZJZOCXBKIN-AFMDSPMNSA-N 3 2 469.460 6.639 1 0 JKAFLP Cc1nn(C)c(C)c1C[NH+]1CCN(c2cccc3[nH+]c(-c4ccc(C(C)(C)C)cc4)[nH]c32)CC1 ZINC000040955706 563160679 /nfs/dbraw/zinc/16/06/79/563160679.db2.gz CMKDKQAMZWVGKC-UHFFFAOYSA-N 2 2 456.638 5.200 1 0 JKAFLP CC[NH+](CC)Cc1cc(NCC[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000040980642 563162564 /nfs/dbraw/zinc/16/25/64/563162564.db2.gz JLZFEGSJMIIVKX-UHFFFAOYSA-N 3 2 466.073 6.371 1 0 JKAFLP O=C(CCC[NH2+]CC1CCCCC1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000043203583 563168671 /nfs/dbraw/zinc/16/86/71/563168671.db2.gz FBBLRLYJWSSKRP-NDEPHWFRSA-N 2 2 468.085 5.524 1 0 JKAFLP CN(C)CC[NH2+]Cc1cccc(-c2ccc3c(Nc4cc(O)c(Cl)cc4F)cc[nH+]c3c2)c1 ZINC000045167328 563173017 /nfs/dbraw/zinc/17/30/17/563173017.db2.gz KKCXYVVORLYAAZ-UHFFFAOYSA-N 2 2 464.972 5.795 1 0 JKAFLP c1sc(C[NH+]2CCCCC2)nc1-c1ccc2c(Nc3ccc(Oc4ccccn4)cc3)cc[nH+]c2c1 ZINC000045190084 563175415 /nfs/dbraw/zinc/17/54/15/563175415.db2.gz FEPORZONLKZELW-UHFFFAOYSA-N 2 2 493.636 7.275 1 0 JKAFLP C[N@@H+]1CCC[C@H](C[NH+]2CCN(Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202521 563178834 /nfs/dbraw/zinc/17/88/34/563178834.db2.gz GVSFRCFUHLUUJM-QHCPKHFHSA-N 2 2 485.701 5.418 1 0 JKAFLP C[N@H+]1CCC[C@H](C[NH+]2CCN(Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202521 563178835 /nfs/dbraw/zinc/17/88/35/563178835.db2.gz GVSFRCFUHLUUJM-QHCPKHFHSA-N 2 2 485.701 5.418 1 0 JKAFLP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)cc3)CC2)C1 ZINC000045202939 563179152 /nfs/dbraw/zinc/17/91/52/563179152.db2.gz LSVGVGAFKYWUPM-XMMPIXPASA-N 2 2 497.662 5.495 1 0 JKAFLP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)cc3)CC2)C1 ZINC000045202939 563179153 /nfs/dbraw/zinc/17/91/53/563179153.db2.gz LSVGVGAFKYWUPM-XMMPIXPASA-N 2 2 497.662 5.495 1 0 JKAFLP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)c3)CC2)C1 ZINC000045226746 563179818 /nfs/dbraw/zinc/17/98/18/563179818.db2.gz UTALDSCILJYLOI-DEOSSOPVSA-N 2 2 497.662 5.495 1 0 JKAFLP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)c3)CC2)C1 ZINC000045226746 563179819 /nfs/dbraw/zinc/17/98/19/563179819.db2.gz UTALDSCILJYLOI-DEOSSOPVSA-N 2 2 497.662 5.495 1 0 JKAFLP c1[nH]cc(CCNc2nc(Nc3ccc(Oc4ccccc4)cc3)nc(NC3CCCC3)[nH+]2)[nH+]1 ZINC000045229802 563180991 /nfs/dbraw/zinc/18/09/91/563180991.db2.gz UIAVYFXJWBJKFO-UHFFFAOYSA-N 2 2 456.554 5.140 1 0 JKAFLP O=c1ccc2ccc(F)c3c2n1C[C@@H]3C[NH+]1CCC([NH2+]Cc2cccc(-c3ccccc3F)c2)CC1 ZINC000045230082 563181087 /nfs/dbraw/zinc/18/10/87/563181087.db2.gz SGAZVKQFMXCAJP-QHCPKHFHSA-N 2 2 485.578 5.298 1 0 JKAFLP C[NH+]1CCN(c2ccc(Nc3c(C(N)=O)c[nH+]c4cc(-c5ccoc5)ccc43)cc2C(F)(F)F)CC1 ZINC000045302615 563186513 /nfs/dbraw/zinc/18/65/13/563186513.db2.gz RYNHOTIHHRSKTK-UHFFFAOYSA-N 2 2 495.505 5.108 1 0 JKAFLP Oc1cc(Nc2cc[nH+]c3cc(-c4cccc(C[NH+]5CCOCC5)c4)ccc23)c(F)cc1Cl ZINC000045322047 563188382 /nfs/dbraw/zinc/18/83/82/563188382.db2.gz MYRYKFBFVXHASN-UHFFFAOYSA-N 2 2 463.940 5.976 1 0 JKAFLP C[NH+]1CCC([NH2+]Cc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)CC1 ZINC000045323102 563188781 /nfs/dbraw/zinc/18/87/81/563188781.db2.gz NEMNRRZYJRHHQR-UHFFFAOYSA-N 2 2 464.535 6.100 1 0 JKAFLP COc1ccccc1-c1cccc(C[NH2+]C2CC[NH+](C[C@@H]3Cn4c5c3c(F)ccc5ccc4=O)CC2)c1 ZINC000045334744 563189610 /nfs/dbraw/zinc/18/96/10/563189610.db2.gz JYEWLJOBIFSEEF-XMMPIXPASA-N 2 2 497.614 5.168 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](Cc3nc4ccccc4o3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049072653 563201447 /nfs/dbraw/zinc/20/14/47/563201447.db2.gz WJJYXLJDGDPKPV-MUUNZHRXSA-N 2 2 489.623 5.987 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](Cc3nc4ccccc4o3)[C@@H]3CCCc4cccnc43)cc2)nc1 ZINC000049072653 563201448 /nfs/dbraw/zinc/20/14/48/563201448.db2.gz WJJYXLJDGDPKPV-MUUNZHRXSA-N 2 2 489.623 5.987 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](Cc3nc4ccccc4o3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049072655 563201522 /nfs/dbraw/zinc/20/15/22/563201522.db2.gz WJJYXLJDGDPKPV-NDEPHWFRSA-N 2 2 489.623 5.987 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](Cc3nc4ccccc4o3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000049072655 563201523 /nfs/dbraw/zinc/20/15/23/563201523.db2.gz WJJYXLJDGDPKPV-NDEPHWFRSA-N 2 2 489.623 5.987 1 0 JKAFLP CC1=[NH+][C@H]2CC[C@H]1OC(=O)CCCCCCC[C@H]1CC[C@H](OC(=O)CCCCCCC2)[C@H](C)[NH2+]1 ZINC000100773119 571817676 /nfs/dbraw/zinc/81/76/76/571817676.db2.gz KGQYREIAHMZYSA-PDIHAJQMSA-N 2 2 476.702 6.049 1 0 endogenous,in-man JKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](NC(=O)C1CCC1)c1ccccc1 ZINC000000588925 562918045 /nfs/dbraw/zinc/91/80/45/562918045.db2.gz XZCJCPMLMYYDQU-HLMSNRGBSA-N 2 2 456.634 5.560 1 0 JKAFLP Cc1[nH+]c2ccccc2n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC1)c1ccccc1 ZINC000000588925 562918046 /nfs/dbraw/zinc/91/80/46/562918046.db2.gz XZCJCPMLMYYDQU-HLMSNRGBSA-N 2 2 456.634 5.560 1 0 JKAFLP CCc1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1cccc(-c2cccc(C(N)=[NH2+])c2)c1 ZINC000013441149 562963280 /nfs/dbraw/zinc/96/32/80/562963280.db2.gz RBIWJXSOVFBRMA-UHFFFAOYSA-N 3 2 494.643 5.438 1 0 JKAFLP CCNc1cc(-c2c(-c3ccc(F)cc3)nc(SC)n2C2CC(C)(C)[NH2+]C(C)(C)C2)cc[nH+]1 ZINC000013524509 562971329 /nfs/dbraw/zinc/97/13/29/562971329.db2.gz XVVXOPCGELRSQC-UHFFFAOYSA-N 2 2 467.658 6.387 1 0 JKAFLP CN(C[C@@H](CC[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1 ZINC000013534623 562972536 /nfs/dbraw/zinc/97/25/36/562972536.db2.gz JCIUNIFVMIPOCX-JOCHJYFZSA-N 2 2 485.459 5.773 1 0 JKAFLP [NH2+]=C1NC(=[NH2+])N(c2cccc(Cl)c2)[C@@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000013559329 562974869 /nfs/dbraw/zinc/97/48/69/562974869.db2.gz NQOAVWUDLYOSJF-IBGZPJMESA-N 2 2 459.859 5.299 1 0 JKAFLP [NH2+]=C1NC(=[NH2+])N(c2cccc(Cl)c2)[C@H](c2cccc(Oc3cc(Cl)cc(Cl)c3)c2)N1 ZINC000013559326 562974890 /nfs/dbraw/zinc/97/48/90/562974890.db2.gz MNCDAFBBQIQRLQ-LJQANCHMSA-N 2 2 460.752 5.587 1 0 JKAFLP CC(=O)NCC[NH2+]Cc1ccc(-c2cc3[nH+]ccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588183 562977543 /nfs/dbraw/zinc/97/75/43/562977543.db2.gz UGWUUDYHNSCFBW-UHFFFAOYSA-N 2 2 455.587 5.414 1 0 JKAFLP CC[NH+](CC)c1ccc(Nc2cc3c(cc2Nc2ccc([NH+](CC)CC)cc2)C(=O)NC3=O)cc1 ZINC000013735551 562985851 /nfs/dbraw/zinc/98/58/51/562985851.db2.gz ZIUKVZLABPRJTA-UHFFFAOYSA-N 2 2 471.605 5.750 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cc(Cc3ccccc3)cc3c2n1CCC3 ZINC000013740434 562986756 /nfs/dbraw/zinc/98/67/56/562986756.db2.gz YOAOJVQZWHAZDW-UHFFFAOYSA-N 2 2 464.657 5.555 1 0 JKAFLP CCCC[C@@H]1CCc2cc(OC)cc3c(CC[NH+]4CCN(c5cc(C)cc[nH+]5)CC4)c(C)n1c32 ZINC000013740446 562986857 /nfs/dbraw/zinc/98/68/57/562986857.db2.gz FEMWGJLEXOCVFL-XMMPIXPASA-N 2 2 460.666 5.704 1 0 JKAFLP Cc1cccc(N2CC[NH+](CCCc3cc(Cl)ccc3OCCc3ccccc3)CC2)[nH+]1 ZINC000013795812 562993159 /nfs/dbraw/zinc/99/31/59/562993159.db2.gz DXBQAQOOFQNNMF-UHFFFAOYSA-N 2 2 450.026 5.420 1 0 JKAFLP Cc1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[NH2+]CCN6CC[NH2+]CC6)cc5)sc43)ccc2[nH]1 ZINC000022932310 563018580 /nfs/dbraw/zinc/01/85/80/563018580.db2.gz MEAHQSFATRAJHG-UHFFFAOYSA-N 3 2 496.684 5.491 1 0 JKAFLP Cc1[nH+]c[nH]c1CN1c2ccccc2C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1CCc1ccccc1 ZINC000025984445 563021046 /nfs/dbraw/zinc/02/10/46/563021046.db2.gz WVMMDJDPEOYFFD-SSEXGKCCSA-N 2 2 492.711 7.039 1 0 JKAFLP Cc1[nH+]c[nH]c1CN1c2ccccc2C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1CCc1ccccc1 ZINC000025984445 563021048 /nfs/dbraw/zinc/02/10/48/563021048.db2.gz WVMMDJDPEOYFFD-SSEXGKCCSA-N 2 2 492.711 7.039 1 0 JKAFLP CC(C)(C)c1ccc(C[N@H+]2Cc3ccccc3N(Cc3c[nH]c[nH+]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025984357 563021064 /nfs/dbraw/zinc/02/10/64/563021064.db2.gz CCTBRCWXVIUBNA-PMERELPUSA-N 2 2 478.684 6.731 1 0 JKAFLP CC(C)(C)c1ccc(C[N@@H+]2Cc3ccccc3N(Cc3c[nH]c[nH+]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025984357 563021065 /nfs/dbraw/zinc/02/10/65/563021065.db2.gz CCTBRCWXVIUBNA-PMERELPUSA-N 2 2 478.684 6.731 1 0 JKAFLP CC(C)(C)c1ccc(C[N@H+]2Cc3ccccc3N(Cc3c[nH+]c[nH]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025984357 563021066 /nfs/dbraw/zinc/02/10/66/563021066.db2.gz CCTBRCWXVIUBNA-PMERELPUSA-N 2 2 478.684 6.731 1 0 JKAFLP CC(C)(C)c1ccc(C[N@@H+]2Cc3ccccc3N(Cc3c[nH+]c[nH]3)[C@@H](CCc3ccccc3)C2)cc1 ZINC000025984357 563021067 /nfs/dbraw/zinc/02/10/67/563021067.db2.gz CCTBRCWXVIUBNA-PMERELPUSA-N 2 2 478.684 6.731 1 0 JKAFLP Cc1c2cccc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@@H](CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)O3 ZINC000026401819 563027572 /nfs/dbraw/zinc/02/75/72/563027572.db2.gz MJROCKFCUPCOPX-RUZDIDTESA-N 2 2 496.655 5.616 1 0 JKAFLP COc1ccc(C[NH2+][C@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026997970 563038946 /nfs/dbraw/zinc/03/89/46/563038946.db2.gz BVAQUQXGHOSEIC-NVQXNPDNSA-N 2 2 454.614 5.909 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(Cl)cc2Cl)CC1 ZINC000027524782 563045399 /nfs/dbraw/zinc/04/53/99/563045399.db2.gz CIZCFUBQEUPXDQ-UHFFFAOYSA-N 2 2 463.474 6.356 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000027546857 563045802 /nfs/dbraw/zinc/04/58/02/563045802.db2.gz LHUYMHZFCVCDFV-UHFFFAOYSA-N 2 2 461.458 6.008 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(-c3ccccc3)cc2)CC1 ZINC000027547377 563045810 /nfs/dbraw/zinc/04/58/10/563045810.db2.gz ZZEMCIRLUYDBBR-UHFFFAOYSA-N 2 2 470.682 6.716 1 0 JKAFLP CO[C@@H](c1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000027548731 563045871 /nfs/dbraw/zinc/04/58/71/563045871.db2.gz LJDAALZDONFJEB-XMMPIXPASA-N 2 2 477.501 6.512 1 0 JKAFLP Clc1ccc2c(c1Cl)C[NH+](CCCCC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872600 563052561 /nfs/dbraw/zinc/05/25/61/563052561.db2.gz WIPWMLCKSQMDBG-UHFFFAOYSA-N 2 2 472.287 6.887 1 0 JKAFLP Clc1ccc2c(c1Cl)C[NH+](CCCCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872600 563052563 /nfs/dbraw/zinc/05/25/63/563052563.db2.gz WIPWMLCKSQMDBG-UHFFFAOYSA-N 2 2 472.287 6.887 1 0 JKAFLP CCCc1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028018959 563055135 /nfs/dbraw/zinc/05/51/35/563055135.db2.gz WDTMGYFXSKDXFB-UHFFFAOYSA-N 3 2 482.632 5.315 1 0 JKAFLP CCCc1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028086991 563055500 /nfs/dbraw/zinc/05/55/00/563055500.db2.gz IPDYXCBKGJWHOF-UHFFFAOYSA-N 3 2 482.632 5.315 1 0 JKAFLP CC[C@@H](C)c1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028093296 563055769 /nfs/dbraw/zinc/05/57/69/563055769.db2.gz YRGZLJWUMMQQED-LJQANCHMSA-N 3 2 496.659 5.876 1 0 JKAFLP CC(=[NH2+])N1CCC(Oc2ccc3c(c2)[nH+]c(C(C)(C)C)n3Cc2ccc3ccc(C(N)=[NH2+])cc3c2)CC1 ZINC000028096686 563055880 /nfs/dbraw/zinc/05/58/80/563055880.db2.gz DYQGLHRGCMDZOQ-UHFFFAOYSA-N 3 2 496.659 5.660 1 0 JKAFLP C[C@@H]([C@@H](c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C ZINC000028331833 563059616 /nfs/dbraw/zinc/05/96/16/563059616.db2.gz ZYAKTISGGAZUDF-KMRXNPHXSA-N 2 2 457.618 6.332 1 0 JKAFLP C[C@H]([C@@H](c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C ZINC000028331840 563059622 /nfs/dbraw/zinc/05/96/22/563059622.db2.gz ZYAKTISGGAZUDF-PIKZIKFNSA-N 2 2 457.618 6.332 1 0 JKAFLP O[C@@]12CCCCCC[C@H]3CC[NH+]4CCC[C@H](CCCCCC[C@H]5CC[N@@H+](CCC1)[C@@H]2O5)[C@H]4O3 ZINC000028760137 563078117 /nfs/dbraw/zinc/07/81/17/563078117.db2.gz DAHFKODECRYGAQ-ACWZPJHASA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@@]12CCCCCC[C@H]3CC[NH+]4CCC[C@H](CCCCCC[C@H]5CC[N@H+](CCC1)[C@@H]2O5)[C@H]4O3 ZINC000028760137 563078118 /nfs/dbraw/zinc/07/81/18/563078118.db2.gz DAHFKODECRYGAQ-ACWZPJHASA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@@]12CCCCCC[C@H]3CC[N@H+]4CCC[C@H](CCCCCC[C@H]5CC[NH+](CCC1)[C@@H]2O5)[C@H]4O3 ZINC000028760137 563078119 /nfs/dbraw/zinc/07/81/19/563078119.db2.gz DAHFKODECRYGAQ-ACWZPJHASA-N 2 2 462.719 5.450 1 0 JKAFLP O[C@@]12CCCCCC[C@H]3CC[N@@H+]4CCC[C@H](CCCCCC[C@H]5CC[NH+](CCC1)[C@@H]2O5)[C@H]4O3 ZINC000028760137 563078120 /nfs/dbraw/zinc/07/81/20/563078120.db2.gz DAHFKODECRYGAQ-ACWZPJHASA-N 2 2 462.719 5.450 1 0 JKAFLP CCCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@@H]([NH2+]CCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765081 563078629 /nfs/dbraw/zinc/07/86/29/563078629.db2.gz UXKYQZRABDQNHH-SZPZYZBQSA-N 2 2 462.292 7.862 1 0 JKAFLP CC[NH+](CC)CCC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2Cl)c2ccccc2[nH+]1 ZINC000028817851 563080030 /nfs/dbraw/zinc/08/00/30/563080030.db2.gz UJHLMZOBIOSUBF-KRWDZBQOSA-N 2 2 460.453 6.471 1 0 JKAFLP CSc1ccc([C@H]2C[N@H+](C)Cc3cc(Oc4nc(C[NH+]5CCCCC5)cs4)ccc32)cc1 ZINC000028827089 563082882 /nfs/dbraw/zinc/08/28/82/563082882.db2.gz ISCCKNOQYHJXGM-RUZDIDTESA-N 2 2 465.688 6.221 1 0 JKAFLP CSc1ccc([C@H]2C[N@@H+](C)Cc3cc(Oc4nc(C[NH+]5CCCCC5)cs4)ccc32)cc1 ZINC000028827089 563082883 /nfs/dbraw/zinc/08/28/83/563082883.db2.gz ISCCKNOQYHJXGM-RUZDIDTESA-N 2 2 465.688 6.221 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000028903818 563086548 /nfs/dbraw/zinc/08/65/48/563086548.db2.gz WMVFBRXLCXUZAO-XMMPIXPASA-N 2 2 498.074 6.849 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000028903818 563086549 /nfs/dbraw/zinc/08/65/49/563086549.db2.gz WMVFBRXLCXUZAO-XMMPIXPASA-N 2 2 498.074 6.849 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000028903777 563086559 /nfs/dbraw/zinc/08/65/59/563086559.db2.gz PBOMPIPAGGZQEV-QFIPXVFZSA-N 2 2 470.020 6.241 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000028903777 563086560 /nfs/dbraw/zinc/08/65/60/563086560.db2.gz PBOMPIPAGGZQEV-QFIPXVFZSA-N 2 2 470.020 6.241 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000028903804 563086573 /nfs/dbraw/zinc/08/65/73/563086573.db2.gz UHFPWYDXZYELGS-HSZRJFAPSA-N 2 2 484.047 6.316 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000028903804 563086574 /nfs/dbraw/zinc/08/65/74/563086574.db2.gz UHFPWYDXZYELGS-HSZRJFAPSA-N 2 2 484.047 6.316 1 0 JKAFLP C[NH+](C)c1ccc(Nc2ccc3c(c2)C(=CNc2ccc(C[NH+]4CCCCC4)cc2)C(=O)NC3=O)cc1 ZINC000029048749 563092694 /nfs/dbraw/zinc/09/26/94/563092694.db2.gz GLWALUUSYRDZJE-USHMODERSA-N 2 2 495.627 5.205 1 0 JKAFLP Fc1ccc([C@](c2ccc(C[NH+]3CCCC3)cc2)(c2ccnc3cc(Cl)ccc32)n2cc[nH+]c2)cc1 ZINC000029135409 563098102 /nfs/dbraw/zinc/09/81/02/563098102.db2.gz VBCJCECXNIYPBX-SSEXGKCCSA-N 2 2 497.017 6.660 1 0 JKAFLP Fc1ccc([C@@](c2ccc(C[NH+]3CCCC3)cc2)(c2ccnc3cc(Cl)ccc32)n2cc[nH+]c2)cc1 ZINC000029135407 563098140 /nfs/dbraw/zinc/09/81/40/563098140.db2.gz VBCJCECXNIYPBX-PMERELPUSA-N 2 2 497.017 6.660 1 0 JKAFLP O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccccc2)CC1 ZINC000029554896 563106603 /nfs/dbraw/zinc/10/66/03/563106603.db2.gz HWJPYHRVTOQZSO-UHFFFAOYSA-N 2 2 480.616 5.107 1 0 JKAFLP CCOc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029559913 563106940 /nfs/dbraw/zinc/10/69/40/563106940.db2.gz LQDTUXYUHTZSFR-UHFFFAOYSA-N 2 2 472.608 5.741 1 0 JKAFLP CSc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 ZINC000029564731 563107215 /nfs/dbraw/zinc/10/72/15/563107215.db2.gz UJWAKDKCYAQABW-UHFFFAOYSA-N 2 2 474.649 6.065 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@H+](Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000034049450 563111889 /nfs/dbraw/zinc/11/18/89/563111889.db2.gz YPTODVXKEJXEET-LJAQVGFWSA-N 2 2 488.639 5.723 1 0 JKAFLP c1ccc(C[NH2+]Cc2ccc(C[N@@H+](Cc3nc4ccccc4[nH]3)[C@H]3CCCc4cccnc43)cc2)nc1 ZINC000034049450 563111891 /nfs/dbraw/zinc/11/18/91/563111891.db2.gz YPTODVXKEJXEET-LJAQVGFWSA-N 2 2 488.639 5.723 1 0 JKAFLP CC(C)(C)[NH2+]Cc1c(Nc2cc[nH+]c3cc(Cl)ccc23)cc(O)cc1-c1ccc(C(F)(F)F)cc1 ZINC000035259260 563119518 /nfs/dbraw/zinc/11/95/18/563119518.db2.gz JIUMHWJWCGIYDR-UHFFFAOYSA-N 2 2 499.964 7.911 1 0 JKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4cccc5nccnc45)CC3)[nH+]2)cc1 ZINC000035872662 563120944 /nfs/dbraw/zinc/12/09/44/563120944.db2.gz MRIRODCBQYGJJC-UHFFFAOYSA-N 2 2 476.628 5.793 1 0 JKAFLP [NH3+][C@H](Cc1ccccc1)C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000036093122 563122175 /nfs/dbraw/zinc/12/21/75/563122175.db2.gz YGBCDXIPWNLLEI-MUUNZHRXSA-N 2 2 464.600 5.743 1 0 JKAFLP C[C@@H](Oc1cc(-c2cnn([C@H]3CCC[NH2+]C3)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000038210765 563133114 /nfs/dbraw/zinc/13/31/14/563133114.db2.gz WRFQMXGREAFPSC-DOMZBBRYSA-N 2 2 450.345 5.038 1 0 JKAFLP Cc1cc(Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)c2c3nc[nH]c3ccc2[nH+]1 ZINC000039214832 563136475 /nfs/dbraw/zinc/13/64/75/563136475.db2.gz RXQNOCBNISMZIJ-UHFFFAOYSA-N 2 2 483.019 6.139 1 0 JKAFLP Fc1ccc(-c2c[nH]c(C3CC[NH+](Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)[nH+]2)cc1 ZINC000040380681 563137662 /nfs/dbraw/zinc/13/76/62/563137662.db2.gz QUNKIBBCFRVCCE-UHFFFAOYSA-N 2 2 468.498 6.405 1 0 JKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4ccc5cccnc5c4)CC3)[nH+]2)cc1 ZINC000040404118 563139768 /nfs/dbraw/zinc/13/97/68/563139768.db2.gz PMJQOTOFZRASBJ-UHFFFAOYSA-N 2 2 475.640 6.398 1 0 JKAFLP [NH3+]CC[N@@H+]1CCC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040422988 563142154 /nfs/dbraw/zinc/14/21/54/563142154.db2.gz ZVSSJYBDRIRLFM-ZCCOPBOASA-N 3 2 458.477 5.522 1 0 JKAFLP [NH3+]CC[N@H+]1CCC2([NH+]3CCCC3)C[C@@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)C2 ZINC000040422988 563142155 /nfs/dbraw/zinc/14/21/55/563142155.db2.gz ZVSSJYBDRIRLFM-ZCCOPBOASA-N 3 2 458.477 5.522 1 0 JKAFLP Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1Nc1[nH]cc(-c2ccccc2)[nH+]1 ZINC000040873649 563151798 /nfs/dbraw/zinc/15/17/98/563151798.db2.gz PYBAZHGZNAJHSN-UHFFFAOYSA-N 2 2 480.616 5.128 1 0 JKAFLP Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)cc1Nc1[nH]cc(-c2ccccc2)[nH+]1 ZINC000040873649 563151799 /nfs/dbraw/zinc/15/17/99/563151799.db2.gz PYBAZHGZNAJHSN-UHFFFAOYSA-N 2 2 480.616 5.128 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000040917280 563155821 /nfs/dbraw/zinc/15/58/21/563155821.db2.gz PLLAJNLKAWWLGN-UHFFFAOYSA-N 2 2 485.994 6.506 1 0 JKAFLP CC[NH+](CC)Cc1cc(-c2ccc(Cl)cc2)n(Nc2cc[nH+]c3cc(Cl)ccc23)c1C ZINC000040952568 563160010 /nfs/dbraw/zinc/16/00/10/563160010.db2.gz FKGDLPDBLDRPIR-UHFFFAOYSA-N 2 2 453.417 7.036 1 0 JKAFLP CCc1nc(C)c(C[NH+]2CCN(c3cccc4[nH+]c(-c5ccc(C(C)(C)C)cc5)[nH]c43)CC2)o1 ZINC000040952648 563160117 /nfs/dbraw/zinc/16/01/17/563160117.db2.gz VJPITLUFYXRZSJ-UHFFFAOYSA-N 2 2 457.622 5.708 1 0 JKAFLP O=C1C[C@H]1[N@@H+]1CCC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040957266 563161128 /nfs/dbraw/zinc/16/11/28/563161128.db2.gz CIBZRZOTARLCOQ-RSXGOPAZSA-N 2 2 467.451 5.036 1 0 JKAFLP O=C1C[C@H]1[N@H+]1CCC[C@](c2ccccc2)(C2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000040957266 563161130 /nfs/dbraw/zinc/16/11/30/563161130.db2.gz CIBZRZOTARLCOQ-RSXGOPAZSA-N 2 2 467.451 5.036 1 0 JKAFLP CCC(CC)C[NH2+]CCCC(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000043203579 563168607 /nfs/dbraw/zinc/16/86/07/563168607.db2.gz ANCJMIQXNPUQAE-MHZLTWQESA-N 2 2 456.074 5.380 1 0 JKAFLP CCC(CC)C[NH2+]CCCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000043203580 563168667 /nfs/dbraw/zinc/16/86/67/563168667.db2.gz ANCJMIQXNPUQAE-HHHXNRCGSA-N 2 2 456.074 5.380 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167398 563173207 /nfs/dbraw/zinc/17/32/07/563173207.db2.gz SBVSTKHXWFTWKG-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167398 563173208 /nfs/dbraw/zinc/17/32/08/563173208.db2.gz SBVSTKHXWFTWKG-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045167398 563173209 /nfs/dbraw/zinc/17/32/09/563173209.db2.gz SBVSTKHXWFTWKG-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045167398 563173210 /nfs/dbraw/zinc/17/32/10/563173210.db2.gz SBVSTKHXWFTWKG-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045167724 563173289 /nfs/dbraw/zinc/17/32/89/563173289.db2.gz USPVXTRSGSCQBM-GOSISDBHSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045167724 563173290 /nfs/dbraw/zinc/17/32/90/563173290.db2.gz USPVXTRSGSCQBM-GOSISDBHSA-N 2 2 456.537 5.900 1 0 JKAFLP c1ccc(Oc2ccc(Nc3cc[nH+]c4cc(-c5cccc(C[NH+]6CCOCC6)c5)ccc34)cc2)cc1 ZINC000045167900 563173440 /nfs/dbraw/zinc/17/34/40/563173440.db2.gz HRUUWOOHOZZNRG-UHFFFAOYSA-N 2 2 487.603 7.270 1 0 JKAFLP Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)c4)s3)nc21 ZINC000045186601 563174154 /nfs/dbraw/zinc/17/41/54/563174154.db2.gz BRKFDEVWXJLLMM-XMMPIXPASA-N 2 2 499.728 5.726 1 0 JKAFLP Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)c4)s3)nc21 ZINC000045186601 563174155 /nfs/dbraw/zinc/17/41/55/563174155.db2.gz BRKFDEVWXJLLMM-XMMPIXPASA-N 2 2 499.728 5.726 1 0 JKAFLP Cc1cccc2nc(-c3ccc(-c4cccc(C[NH+]5CCN(C[C@@H]6CCC[N@@H+](C)C6)CC5)c4)s3)[nH]c21 ZINC000045186601 563174156 /nfs/dbraw/zinc/17/41/56/563174156.db2.gz BRKFDEVWXJLLMM-XMMPIXPASA-N 2 2 499.728 5.726 1 0 JKAFLP Cc1cccc2nc(-c3ccc(-c4cccc(C[NH+]5CCN(C[C@@H]6CCC[N@H+](C)C6)CC5)c4)s3)[nH]c21 ZINC000045186601 563174157 /nfs/dbraw/zinc/17/41/57/563174157.db2.gz BRKFDEVWXJLLMM-XMMPIXPASA-N 2 2 499.728 5.726 1 0 JKAFLP Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)c4)s3)nc21 ZINC000045186605 563174182 /nfs/dbraw/zinc/17/41/82/563174182.db2.gz BRKFDEVWXJLLMM-DEOSSOPVSA-N 2 2 499.728 5.726 1 0 JKAFLP Cc1cccc2[nH]c(-c3ccc(-c4cccc(C[NH+]5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)c4)s3)nc21 ZINC000045186605 563174183 /nfs/dbraw/zinc/17/41/83/563174183.db2.gz BRKFDEVWXJLLMM-DEOSSOPVSA-N 2 2 499.728 5.726 1 0 JKAFLP Cc1cccc2nc(-c3ccc(-c4cccc(C[NH+]5CCN(C[C@H]6CCC[N@@H+](C)C6)CC5)c4)s3)[nH]c21 ZINC000045186605 563174184 /nfs/dbraw/zinc/17/41/84/563174184.db2.gz BRKFDEVWXJLLMM-DEOSSOPVSA-N 2 2 499.728 5.726 1 0 JKAFLP Cc1cccc2nc(-c3ccc(-c4cccc(C[NH+]5CCN(C[C@H]6CCC[N@H+](C)C6)CC5)c4)s3)[nH]c21 ZINC000045186605 563174186 /nfs/dbraw/zinc/17/41/86/563174186.db2.gz BRKFDEVWXJLLMM-DEOSSOPVSA-N 2 2 499.728 5.726 1 0 JKAFLP C[NH+]1CCN(Cc2ccc(-c3ccc4c(Nc5ccc(Oc6ccccn6)cc5)cc[nH+]c4c3)o2)CC1 ZINC000045188478 563174843 /nfs/dbraw/zinc/17/48/43/563174843.db2.gz DHNQWIDXEDVBLY-UHFFFAOYSA-N 2 2 491.595 6.173 1 0 JKAFLP CN1CC[NH+](Cc2ccc(-c3ccc4c(Nc5ccc(Oc6ccccn6)cc5)cc[nH+]c4c3)o2)CC1 ZINC000045188478 563174845 /nfs/dbraw/zinc/17/48/45/563174845.db2.gz DHNQWIDXEDVBLY-UHFFFAOYSA-N 2 2 491.595 6.173 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194225 563177040 /nfs/dbraw/zinc/17/70/40/563177040.db2.gz RZTGJOWDCYUBSS-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)cc1 ZINC000045194225 563177041 /nfs/dbraw/zinc/17/70/41/563177041.db2.gz RZTGJOWDCYUBSS-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045194225 563177042 /nfs/dbraw/zinc/17/70/42/563177042.db2.gz RZTGJOWDCYUBSS-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1 ZINC000045194225 563177043 /nfs/dbraw/zinc/17/70/43/563177043.db2.gz RZTGJOWDCYUBSS-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP C[NH+](C)CCCn1c[nH+]cc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 ZINC000045194995 563177274 /nfs/dbraw/zinc/17/72/74/563177274.db2.gz JZIFBNNTOBNLDZ-UHFFFAOYSA-N 2 2 478.600 5.768 1 0 JKAFLP Cc1ccc(NS(=O)(=O)c2ccc([C@H](C)[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)cc1C ZINC000045210754 563179456 /nfs/dbraw/zinc/17/94/56/563179456.db2.gz UEKSMIATYWACFP-QFIPXVFZSA-N 2 2 455.668 5.116 1 0 JKAFLP Clc1ccc2c(NCC[NH2+]CCC[NH+](Cc3ccccc3)Cc3ccccc3)cc[nH+]c2c1 ZINC000045253401 563182114 /nfs/dbraw/zinc/18/21/14/563182114.db2.gz LBTJLFKYCHTDET-UHFFFAOYSA-N 3 2 459.037 5.982 1 0 JKAFLP C[NH+](C)CCNCc1ncsc1-c1ccc2c(Nc3ccc(F)cc3Cl)cc[nH+]c2c1 ZINC000045323933 563189017 /nfs/dbraw/zinc/18/90/17/563189017.db2.gz PIOIEYHZHOWJSG-UHFFFAOYSA-N 2 2 455.990 5.546 1 0 JKAFLP CN(C)CC[NH2+]Cc1ncsc1-c1ccc2c(Nc3ccc(F)cc3Cl)cc[nH+]c2c1 ZINC000045323933 563189018 /nfs/dbraw/zinc/18/90/18/563189018.db2.gz PIOIEYHZHOWJSG-UHFFFAOYSA-N 2 2 455.990 5.546 1 0 JKAFLP C[N@@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccc(F)cc6[nH]5)c4)cc3)CC2)C1 ZINC000045324510 563189303 /nfs/dbraw/zinc/18/93/03/563189303.db2.gz WOYKSHGQBKORJV-XMMPIXPASA-N 2 2 497.662 5.495 1 0 JKAFLP C[N@H+]1CCC[C@@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccc(F)cc6[nH]5)c4)cc3)CC2)C1 ZINC000045324510 563189305 /nfs/dbraw/zinc/18/93/05/563189305.db2.gz WOYKSHGQBKORJV-XMMPIXPASA-N 2 2 497.662 5.495 1 0 JKAFLP C[NH+]1CCN(Cc2ccc(-c3ccc4c(Nc5cc(O)c(F)cc5Cl)cc[nH+]c4c3)o2)CC1 ZINC000045335091 563189867 /nfs/dbraw/zinc/18/98/67/563189867.db2.gz ODPIVJKUQIKZNT-UHFFFAOYSA-N 2 2 466.944 5.484 1 0 JKAFLP CN1CC[NH+](Cc2ccc(-c3ccc4c(Nc5cc(O)c(F)cc5Cl)cc[nH+]c4c3)o2)CC1 ZINC000045335091 563189868 /nfs/dbraw/zinc/18/98/68/563189868.db2.gz ODPIVJKUQIKZNT-UHFFFAOYSA-N 2 2 466.944 5.484 1 0 JKAFLP COc1cc2[nH+]c(N3CCC([NH+]4CCCC4)CC3)nc(Nc3ccc(Cl)cc3)c2cc1OC ZINC000045495656 563195639 /nfs/dbraw/zinc/19/56/39/563195639.db2.gz HGXZQFOHAJZQST-UHFFFAOYSA-N 2 2 468.001 5.109 1 0 JKAFLP CC[C@H](C)c1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000052640720 563204850 /nfs/dbraw/zinc/20/48/50/563204850.db2.gz YRGZLJWUMMQQED-IBGZPJMESA-N 3 2 496.659 5.876 1 0 JKAFLP CCCc1nc(-c2ccccc2)c(C[NH2+]CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000053294990 563205607 /nfs/dbraw/zinc/20/56/07/563205607.db2.gz KSDKUVJKNHCJCB-UHFFFAOYSA-N 2 2 453.030 5.249 1 0 JKAFLP C[NH+]1CCN(C(=O)c2ccc(Nc3cc[nH+]c4ccc(-c5ccc(Cl)cc5)cc34)cc2)CC1 ZINC000058520017 563206896 /nfs/dbraw/zinc/20/68/96/563206896.db2.gz OOVIIDNGMFZNKV-UHFFFAOYSA-N 2 2 456.977 5.686 1 0 JKAFLP Clc1cccc(N2CC[NH+](CCCCNc3ccc(-c4ccccc4)c[nH+]3)CC2)c1Cl ZINC000058582929 563207902 /nfs/dbraw/zinc/20/79/02/563207902.db2.gz WRUSBTCFXKDYJC-UHFFFAOYSA-N 2 2 455.433 6.070 1 0 JKAFLP COc1ccc(-n2c3ccccc3[nH+]c2NCCC[NH+]2CCC(c3cccc(NC(C)=O)c3)CC2)cc1 ZINC000058583594 563207935 /nfs/dbraw/zinc/20/79/35/563207935.db2.gz HBKLTELQROWYAV-UHFFFAOYSA-N 2 2 497.643 5.674 1 0 JKAFLP CC(C)C(=O)O[C@]1(CC[N@H+](C)CCCc2[nH]c3ccccc3[nH+]2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000003942158 562930369 /nfs/dbraw/zinc/93/03/69/562930369.db2.gz FRFNLRPRBZSCOW-JDXGNMNLSA-N 2 2 493.667 6.281 1 0 JKAFLP CC(C)C(=O)O[C@]1(CC[N@@H+](C)CCCc2[nH]c3ccccc3[nH+]2)CCc2cc(F)ccc2[C@@H]1C(C)C ZINC000003942158 562930370 /nfs/dbraw/zinc/93/03/70/562930370.db2.gz FRFNLRPRBZSCOW-JDXGNMNLSA-N 2 2 493.667 6.281 1 0 JKAFLP [NH2+]=C1NC(=[NH2+])N(c2cccc(Cl)c2)[C@H](c2cccc(Oc3cccc(C(F)(F)F)c3)c2)N1 ZINC000013559328 562974876 /nfs/dbraw/zinc/97/48/76/562974876.db2.gz NQOAVWUDLYOSJF-LJQANCHMSA-N 2 2 459.859 5.299 1 0 JKAFLP COc1ccc(-c2c(CC[NH+]3CCN(c4cc(C)cc[nH+]4)CC3)c3cccc4c3n2CCC4)cc1 ZINC000013740417 562986708 /nfs/dbraw/zinc/98/67/08/562986708.db2.gz BRFVUHVMOMNHPM-UHFFFAOYSA-N 2 2 466.629 5.331 1 0 JKAFLP Cc1ccc(-c2c(CC[NH+]3CCN(c4cc(C)cc[nH+]4)CC3)c3cccc4c3n2CCC4)cc1 ZINC000013740414 562986735 /nfs/dbraw/zinc/98/67/35/562986735.db2.gz LCXZLHAYRLPDHD-UHFFFAOYSA-N 2 2 450.630 5.631 1 0 JKAFLP Cc1cc[nH+]c(N2CC[NH+](CCc3c4cccc5c4n(c3-c3ccc(O)cc3)CCC5)CC2)c1 ZINC000013740418 562986765 /nfs/dbraw/zinc/98/67/65/562986765.db2.gz DEJBYZQKRPJPLR-UHFFFAOYSA-N 2 2 452.602 5.028 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cccc3c2n1[C@@H](C1CCCCC1)CC3 ZINC000013740437 562986866 /nfs/dbraw/zinc/98/68/66/562986866.db2.gz SNSQNTMMECTXHN-MUUNZHRXSA-N 2 2 456.678 6.085 1 0 JKAFLP CCCC[C@H]1CCc2cc(OC)cc3c(CC[NH+]4CCN(c5cc(C)cc[nH+]5)CC4)c(C)n1c32 ZINC000013740447 562986873 /nfs/dbraw/zinc/98/68/73/562986873.db2.gz FEMWGJLEXOCVFL-DEOSSOPVSA-N 2 2 460.666 5.704 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cccc3c2n1[C@H](c1ccccc1)CC3 ZINC000013740439 562986886 /nfs/dbraw/zinc/98/68/86/562986886.db2.gz YESFCFFJOUJQQT-NDEPHWFRSA-N 2 2 450.630 5.553 1 0 JKAFLP C[NH+]1CCN(Cc2cc(Nc3[nH]c4ccc(Oc5ccnc6[nH]ccc65)cc4[nH+]3)ccc2Cl)CC1 ZINC000023359464 563020070 /nfs/dbraw/zinc/02/00/70/563020070.db2.gz GXVPRRQXIWVLPD-UHFFFAOYSA-N 2 2 487.995 5.376 1 0 JKAFLP C[NH+]1CCN(Cc2cc(Nc3[nH]c4cc(Oc5ccnc6[nH]ccc65)ccc4[nH+]3)ccc2Cl)CC1 ZINC000023359464 563020072 /nfs/dbraw/zinc/02/00/72/563020072.db2.gz GXVPRRQXIWVLPD-UHFFFAOYSA-N 2 2 487.995 5.376 1 0 JKAFLP CSc1nccc(Oc2ccc3[nH]c(Nc4ccc(Cl)c(CN5CC[NH+](C)CC5)c4)[nH+]c3c2)n1 ZINC000023359470 563020116 /nfs/dbraw/zinc/02/01/16/563020116.db2.gz JGMRAEWVFZTZRS-UHFFFAOYSA-N 2 2 496.040 5.012 1 0 JKAFLP CSc1nccc(Oc2ccc3[nH+]c(Nc4ccc(Cl)c(CN5CC[NH+](C)CC5)c4)[nH]c3c2)n1 ZINC000023359470 563020117 /nfs/dbraw/zinc/02/01/17/563020117.db2.gz JGMRAEWVFZTZRS-UHFFFAOYSA-N 2 2 496.040 5.012 1 0 JKAFLP CC[NH+](CC)Cc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026671495 563033328 /nfs/dbraw/zinc/03/33/28/563033328.db2.gz BWBVBRWUSUPAGL-UHFFFAOYSA-N 3 2 480.056 5.898 1 0 JKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026675551 563033553 /nfs/dbraw/zinc/03/35/53/563033553.db2.gz VWBCXSGNKRGGGI-UHFFFAOYSA-N 3 2 492.067 6.042 1 0 JKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[NH2+][C@@H](C)C3)c2c1 ZINC000026725908 563033980 /nfs/dbraw/zinc/03/39/80/563033980.db2.gz XYJTURUCNQJUDF-AWEZNQCLSA-N 2 2 487.050 5.010 1 0 JKAFLP Cc1c2cc(Cl)ccc2sc1S(=O)(=O)Nc1ccc2[nH+]ccc(N3CC[NH2+][C@H](C)C3)c2c1 ZINC000026728823 563034166 /nfs/dbraw/zinc/03/41/66/563034166.db2.gz XYJTURUCNQJUDF-CQSZACIVSA-N 2 2 487.050 5.010 1 0 JKAFLP FC(F)(F)c1cccc(-c2nc(C3CC[NH2+]CC3)cn2-c2cc[nH+]c(NC3CCCCC3)n2)c1 ZINC000027108825 563040555 /nfs/dbraw/zinc/04/05/55/563040555.db2.gz XEBPLBIKMQIKAW-UHFFFAOYSA-N 2 2 470.543 5.560 1 0 JKAFLP CC[NH+](CC)Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1F ZINC000027520379 563044856 /nfs/dbraw/zinc/04/48/56/563044856.db2.gz WEHQJZRMAQYDOP-UHFFFAOYSA-N 2 2 468.403 7.933 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000027526439 563045618 /nfs/dbraw/zinc/04/56/18/563045618.db2.gz VQDQYRCYSZGICA-QHCPKHFHSA-N 2 2 463.474 5.858 1 0 JKAFLP C[C@@H](Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000027547587 563045763 /nfs/dbraw/zinc/04/57/63/563045763.db2.gz GWEOLVZRSLFSNU-QGZVFWFLSA-N 2 2 477.501 6.917 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccc(Br)cc2)CC1 ZINC000027552276 563046059 /nfs/dbraw/zinc/04/60/59/563046059.db2.gz BTWNZYQCFVVOLW-UHFFFAOYSA-N 2 2 473.480 5.811 1 0 JKAFLP CCCCc1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000028105351 563056244 /nfs/dbraw/zinc/05/62/44/563056244.db2.gz KFGFAIRWDMAAQY-UHFFFAOYSA-N 3 2 496.659 5.705 1 0 JKAFLP NC(=[NH2+])c1ccc2ccc(CN(CCCn3cc[nH+]c3)C(=O)c3cccc4ccccc43)cc2c1 ZINC000028524476 563067254 /nfs/dbraw/zinc/06/72/54/563067254.db2.gz DXHIHLHABLPFQM-UHFFFAOYSA-N 2 2 461.569 5.206 1 0 JKAFLP Cc1ccc([C@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)[NH+]2CCN(C)CC2)cc1 ZINC000028646216 563073330 /nfs/dbraw/zinc/07/33/30/563073330.db2.gz XZBKLRRYJOUOQG-YTTGMZPUSA-N 2 2 484.732 5.077 1 0 JKAFLP COc1ccccc1N1CC[NH+](CCCCOc2ccc(-c3cn4cc(C)ccc4[nH+]3)cc2)CC1 ZINC000028711424 563076496 /nfs/dbraw/zinc/07/64/96/563076496.db2.gz BSWBATABCUZHGT-UHFFFAOYSA-N 2 2 470.617 5.300 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](C[C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028827096 563082872 /nfs/dbraw/zinc/08/28/72/563082872.db2.gz WBKDIPKHMHKOSN-HSZRJFAPSA-N 2 2 468.620 5.905 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000028903791 563086494 /nfs/dbraw/zinc/08/64/94/563086494.db2.gz AYPRBDIXIJJDIB-HSZRJFAPSA-N 2 2 470.020 6.589 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000028903791 563086496 /nfs/dbraw/zinc/08/64/96/563086496.db2.gz AYPRBDIXIJJDIB-HSZRJFAPSA-N 2 2 470.020 6.589 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000028903823 563086526 /nfs/dbraw/zinc/08/65/26/563086526.db2.gz WMVFBRXLCXUZAO-DEOSSOPVSA-N 2 2 498.074 6.849 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000028903823 563086527 /nfs/dbraw/zinc/08/65/27/563086527.db2.gz WMVFBRXLCXUZAO-DEOSSOPVSA-N 2 2 498.074 6.849 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCCc2ccccc2)[nH+]1 ZINC000029038883 563090895 /nfs/dbraw/zinc/09/08/95/563090895.db2.gz UOZHEMKUINGVFA-UHFFFAOYSA-N 2 2 477.701 5.051 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NCCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038883 563090897 /nfs/dbraw/zinc/09/08/97/563090897.db2.gz UOZHEMKUINGVFA-UHFFFAOYSA-N 2 2 477.701 5.051 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NCCc2ccccc2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038883 563090899 /nfs/dbraw/zinc/09/08/99/563090899.db2.gz UOZHEMKUINGVFA-UHFFFAOYSA-N 2 2 477.701 5.051 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCC2)[nH+]1 ZINC000029038794 563090902 /nfs/dbraw/zinc/09/09/02/563090902.db2.gz AZUSHNULULIKPP-UHFFFAOYSA-N 2 2 497.776 6.311 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038794 563090904 /nfs/dbraw/zinc/09/09/04/563090904.db2.gz AZUSHNULULIKPP-UHFFFAOYSA-N 2 2 497.776 6.311 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038794 563090905 /nfs/dbraw/zinc/09/09/05/563090905.db2.gz AZUSHNULULIKPP-UHFFFAOYSA-N 2 2 497.776 6.311 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NCCCc2ccccc2)[nH+]1 ZINC000029038886 563090956 /nfs/dbraw/zinc/09/09/56/563090956.db2.gz GKMMLRLXUSQSNR-UHFFFAOYSA-N 2 2 491.728 5.441 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NCCCc2ccccc2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038886 563090958 /nfs/dbraw/zinc/09/09/58/563090958.db2.gz GKMMLRLXUSQSNR-UHFFFAOYSA-N 2 2 491.728 5.441 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NCCCc2ccccc2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038886 563090960 /nfs/dbraw/zinc/09/09/60/563090960.db2.gz GKMMLRLXUSQSNR-UHFFFAOYSA-N 2 2 491.728 5.441 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCCC2)[nH+]1 ZINC000029039265 563091074 /nfs/dbraw/zinc/09/10/74/563091074.db2.gz KSCHHSCJWLQKMS-UHFFFAOYSA-N 2 2 469.722 5.531 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029039265 563091076 /nfs/dbraw/zinc/09/10/76/563091076.db2.gz KSCHHSCJWLQKMS-UHFFFAOYSA-N 2 2 469.722 5.531 1 0 JKAFLP CC[NH+](CC)CCCNc1nc(NC2CCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029039265 563091078 /nfs/dbraw/zinc/09/10/78/563091078.db2.gz KSCHHSCJWLQKMS-UHFFFAOYSA-N 2 2 469.722 5.531 1 0 JKAFLP C[N@H+](CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000029043659 563092050 /nfs/dbraw/zinc/09/20/50/563092050.db2.gz CWLMBFMGQDVSMX-RDGATRHJSA-N 2 2 474.476 5.296 1 0 JKAFLP C[N@@H+](CC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000029043659 563092052 /nfs/dbraw/zinc/09/20/52/563092052.db2.gz CWLMBFMGQDVSMX-RDGATRHJSA-N 2 2 474.476 5.296 1 0 JKAFLP Clc1ccc2c(NCCCC[NH2+]CCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000029401265 563102611 /nfs/dbraw/zinc/10/26/11/563102611.db2.gz IZAOGUQHYZMRFE-UHFFFAOYSA-N 3 2 468.432 6.374 1 0 JKAFLP COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)cc1OC ZINC000029562672 563107157 /nfs/dbraw/zinc/10/71/57/563107157.db2.gz ZUBVETSBKYKTPS-UHFFFAOYSA-N 2 2 488.607 5.360 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCCNc3ccccc3)CC2)cc1 ZINC000029566916 563107480 /nfs/dbraw/zinc/10/74/80/563107480.db2.gz ZODFEUDRJPYKLM-UHFFFAOYSA-N 2 2 457.597 5.602 1 0 JKAFLP C[C@@H](Oc1cc(-c2cnn([C@@H]3CCC[NH2+]C3)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000038210763 563133104 /nfs/dbraw/zinc/13/31/04/563133104.db2.gz WRFQMXGREAFPSC-IUODEOHRSA-N 2 2 450.345 5.038 1 0 JKAFLP C[C@H](Oc1cc(-c2cnn([C@H]3CCC[NH2+]C3)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000038210764 563133116 /nfs/dbraw/zinc/13/31/16/563133116.db2.gz WRFQMXGREAFPSC-WFASDCNBSA-N 2 2 450.345 5.038 1 0 JKAFLP Cc1ccc(-c2[nH]c3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)[nH+]2)cc1 ZINC000040379997 563137383 /nfs/dbraw/zinc/13/73/83/563137383.db2.gz MFKUXMYVLLCVND-UHFFFAOYSA-N 2 2 484.629 5.278 1 0 JKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4ccc5c(c4)NCC(=O)N5)CC3)[nH+]2)cc1 ZINC000040404969 563139977 /nfs/dbraw/zinc/13/99/77/563139977.db2.gz JKWMGGLQCBTHMW-UHFFFAOYSA-N 2 2 494.643 5.214 1 0 JKAFLP Cc1ccc(-c2[nH]c3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)[nH+]2)c(C)c1 ZINC000040865579 563150954 /nfs/dbraw/zinc/15/09/54/563150954.db2.gz OQKLDGSKMFCEHK-UHFFFAOYSA-N 2 2 498.656 5.587 1 0 JKAFLP CCOC(=O)[C@@](CCC[N@H+](C)CCCc1[nH]c2cc(C)c(C)cc2[nH+]1)(c1ccccc1)C(C)C ZINC000040876811 563152458 /nfs/dbraw/zinc/15/24/58/563152458.db2.gz LGFPWQKLNYNGIJ-GDLZYMKVSA-N 2 2 463.666 5.981 1 0 JKAFLP CCOC(=O)[C@@](CCC[N@@H+](C)CCCc1[nH]c2cc(C)c(C)cc2[nH+]1)(c1ccccc1)C(C)C ZINC000040876811 563152460 /nfs/dbraw/zinc/15/24/60/563152460.db2.gz LGFPWQKLNYNGIJ-GDLZYMKVSA-N 2 2 463.666 5.981 1 0 JKAFLP CCOC(=O)[C@](CCC[N@H+](C)CCCc1[nH]c2cc(C)c(C)cc2[nH+]1)(c1ccccc1)C(C)C ZINC000040876814 563152506 /nfs/dbraw/zinc/15/25/06/563152506.db2.gz LGFPWQKLNYNGIJ-LJAQVGFWSA-N 2 2 463.666 5.981 1 0 JKAFLP CCOC(=O)[C@](CCC[N@@H+](C)CCCc1[nH]c2cc(C)c(C)cc2[nH+]1)(c1ccccc1)C(C)C ZINC000040876814 563152508 /nfs/dbraw/zinc/15/25/08/563152508.db2.gz LGFPWQKLNYNGIJ-LJAQVGFWSA-N 2 2 463.666 5.981 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000040918146 563156081 /nfs/dbraw/zinc/15/60/81/563156081.db2.gz YUXTWNOTAQMGDN-UHFFFAOYSA-N 2 2 471.967 5.752 1 0 JKAFLP CC(C)(C)[NH2+]Cc1c(Nc2cc[nH+]c3ccc(Cl)cc23)cc(O)cc1-c1ccc(Cl)cc1 ZINC000043014643 563164405 /nfs/dbraw/zinc/16/44/05/563164405.db2.gz UVPGTPKHHJYRKU-UHFFFAOYSA-N 2 2 466.412 7.546 1 0 JKAFLP COc1cccc(-c2cccc(C[NH2+]C3CC[NH+](C[C@H]4Cn5c6c4c(F)ccc6ccc5=O)CC3)c2)c1 ZINC000045167112 563173038 /nfs/dbraw/zinc/17/30/38/563173038.db2.gz PZEUUSBYSMFMSM-VWLOTQADSA-N 2 2 497.614 5.168 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167400 563173165 /nfs/dbraw/zinc/17/31/65/563173165.db2.gz SBVSTKHXWFTWKG-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)c1 ZINC000045167400 563173166 /nfs/dbraw/zinc/17/31/66/563173166.db2.gz SBVSTKHXWFTWKG-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045167400 563173167 /nfs/dbraw/zinc/17/31/67/563173167.db2.gz SBVSTKHXWFTWKG-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c1 ZINC000045167400 563173168 /nfs/dbraw/zinc/17/31/68/563173168.db2.gz SBVSTKHXWFTWKG-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045167726 563173350 /nfs/dbraw/zinc/17/33/50/563173350.db2.gz USPVXTRSGSCQBM-SFHVURJKSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)c1 ZINC000045167726 563173352 /nfs/dbraw/zinc/17/33/52/563173352.db2.gz USPVXTRSGSCQBM-SFHVURJKSA-N 2 2 456.537 5.900 1 0 JKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]Cc4cc5c(cc(Cl)cc5Cl)[nH]4)CC3)c2c1 ZINC000045187499 563174399 /nfs/dbraw/zinc/17/43/99/563174399.db2.gz NUOBZJCXSAVQRE-SANMLTNESA-N 2 2 499.442 5.319 1 0 JKAFLP C[NH+](C)CCOc1ccc(/C(=C(/CCCn2cc[nH+]c2)c2ccccc2)c2ccc(O)cc2)cc1 ZINC000045187709 563174523 /nfs/dbraw/zinc/17/45/23/563174523.db2.gz MICACQALYOKMNS-FLWNBWAVSA-N 2 2 467.613 5.969 1 0 JKAFLP CC[NH+](CC)CCCN(CCC[NH+](CC)CC)c1cc(C)[nH+]c(Nc2ccc(Cl)cc2)n1 ZINC000045189169 563175172 /nfs/dbraw/zinc/17/51/72/563175172.db2.gz HCUFJBUMZBCILQ-UHFFFAOYSA-N 3 2 461.098 5.452 1 0 JKAFLP C[NH+]1CCC(N2CC[NH+](Cc3cccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)c3)CC2)CC1 ZINC000045190402 563175549 /nfs/dbraw/zinc/17/55/49/563175549.db2.gz DTTPNPSXTSAXRC-UHFFFAOYSA-N 2 2 483.635 5.248 1 0 JKAFLP COc1ccc2nccc([C@@H](O)C[NH+]3CCC([NH2+]Cc4cc5cc(C)ccc5s4)CC3)c2c1 ZINC000045192706 563176409 /nfs/dbraw/zinc/17/64/09/563176409.db2.gz HCRMVFQJWXDPIL-SANMLTNESA-N 2 2 461.631 5.054 1 0 JKAFLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccc(-c4ccc(C[NH2+]Cc5cccnc5)cn4)cc3)CC2)cc1 ZINC000045194148 563177052 /nfs/dbraw/zinc/17/70/52/563177052.db2.gz DPQOVSNTZUKWAR-UHFFFAOYSA-N 3 2 477.656 5.188 1 0 JKAFLP C[N@@H+]1CCC[C@@H](C[NH+]2CCN(Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202523 563178843 /nfs/dbraw/zinc/17/88/43/563178843.db2.gz GVSFRCFUHLUUJM-HSZRJFAPSA-N 2 2 485.701 5.418 1 0 JKAFLP C[N@H+]1CCC[C@@H](C[NH+]2CCN(Cc3cccc(-c4ccc(-c5nc6ccccc6[nH]5)s4)c3)CC2)C1 ZINC000045202523 563178844 /nfs/dbraw/zinc/17/88/44/563178844.db2.gz GVSFRCFUHLUUJM-HSZRJFAPSA-N 2 2 485.701 5.418 1 0 JKAFLP COCC[NH2+]Cc1ncsc1-c1ccc2c(Nc3ccc(Oc4ccccc4)cc3)cc[nH+]c2c1 ZINC000045228166 563180294 /nfs/dbraw/zinc/18/02/94/563180294.db2.gz YOWZLRGLHHQQRK-UHFFFAOYSA-N 2 2 482.609 6.630 1 0 JKAFLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045228636 563180534 /nfs/dbraw/zinc/18/05/34/563180534.db2.gz XDQWTVHHFIHNIW-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045228636 563180535 /nfs/dbraw/zinc/18/05/35/563180535.db2.gz XDQWTVHHFIHNIW-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+][C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)C1 ZINC000045228636 563180536 /nfs/dbraw/zinc/18/05/36/563180536.db2.gz XDQWTVHHFIHNIW-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+][C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)C1 ZINC000045228636 563180537 /nfs/dbraw/zinc/18/05/37/563180537.db2.gz XDQWTVHHFIHNIW-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP O=C(C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N(c1ccccc1)c1ccccc1 ZINC000045283751 563183463 /nfs/dbraw/zinc/18/34/63/563183463.db2.gz DHDPTUACNHYEEJ-UHFFFAOYSA-N 2 2 456.977 5.375 1 0 JKAFLP CN1CC[NH+](Cc2cccc(-c3ccc4c(Nc5ccc(F)cc5Cl)cc[nH+]c4c3)c2)CC1 ZINC000045301208 563185682 /nfs/dbraw/zinc/18/56/82/563185682.db2.gz YRFLLQLCTCSZIN-UHFFFAOYSA-N 2 2 460.984 6.185 1 0 JKAFLP C[NH+]1CCN(Cc2cccc(-c3ccc4c(Nc5ccc(F)cc5Cl)cc[nH+]c4c3)c2)CC1 ZINC000045301208 563185683 /nfs/dbraw/zinc/18/56/83/563185683.db2.gz YRFLLQLCTCSZIN-UHFFFAOYSA-N 2 2 460.984 6.185 1 0 JKAFLP Fc1ccc2nc(-c3cccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)c3)[nH]c2c1 ZINC000045302371 563186285 /nfs/dbraw/zinc/18/62/85/563186285.db2.gz QOIMUWUNZAGNIH-UHFFFAOYSA-N 2 2 463.560 5.753 1 0 JKAFLP COc1ccc(-c2cccc(C[NH2+]C3CC[NH+](C[C@@H]4Cn5c6c4c(F)ccc6ccc5=O)CC3)c2)cc1 ZINC000045302706 563186657 /nfs/dbraw/zinc/18/66/57/563186657.db2.gz QRMFMOWDZLQSJK-RUZDIDTESA-N 2 2 497.614 5.168 1 0 JKAFLP CC(C)[NH+]1CCN(c2c3cccc(C(F)(F)F)c3[nH+]cc2C2N=NC(=S)N2c2ccccc2)CC1 ZINC000045319153 563187838 /nfs/dbraw/zinc/18/78/38/563187838.db2.gz MSLFNANTHMAWBR-UHFFFAOYSA-N 2 2 498.578 5.320 1 0 JKAFLP Fc1cc(Cl)ccc1Nc1cc[nH+]c2cc(-c3ccc(C[NH+]4CCSCC4)o3)ccc12 ZINC000045334458 563189451 /nfs/dbraw/zinc/18/94/51/563189451.db2.gz DCBHWWOUFJQREB-UHFFFAOYSA-N 2 2 453.970 6.580 1 0 JKAFLP COc1ccccc1-c1cccc(C[NH2+]C2CC[NH+](C[C@H]3Cn4c5c3c(F)ccc5ccc4=O)CC2)c1 ZINC000045334746 563189577 /nfs/dbraw/zinc/18/95/77/563189577.db2.gz JYEWLJOBIFSEEF-DEOSSOPVSA-N 2 2 497.614 5.168 1 0 JKAFLP Clc1ccc2c(NCCCNc3nc(N4CCCCC4)nc(NC4CCCCC4)[nH+]3)cc[nH+]c2c1 ZINC000045352976 563192021 /nfs/dbraw/zinc/19/20/21/563192021.db2.gz FSLZCBOHTZWSIV-UHFFFAOYSA-N 2 2 495.075 5.722 1 0 JKAFLP c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc([NH+]2CCCCC2)c(-c2ccccc2)c1 ZINC000053182641 563205120 /nfs/dbraw/zinc/20/51/20/563205120.db2.gz MCUYCFPQKXLFFS-UHFFFAOYSA-N 2 2 498.674 7.868 1 0 JKAFLP COc1ccc(C[NH2+]CCCC(=O)N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000059125762 563208782 /nfs/dbraw/zinc/20/87/82/563208782.db2.gz DIQYKFLHIVXEGF-GDLZYMKVSA-N 2 2 492.063 5.152 1 0 JKAFLP O=C(CCC[NH2+]Cc1ccccc1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000059125760 563208813 /nfs/dbraw/zinc/20/88/13/563208813.db2.gz LPZQMTRVMZMOPU-MUUNZHRXSA-N 2 2 462.037 5.144 1 0 JKAFLP CC1=[NH+][C@H]2CC[C@H]1OC(=O)CCCCCCC[C@H]1CC[C@H](OC(=O)CCCCCCC2)[C@@H](C)[NH2+]1 ZINC000013383663 571700250 /nfs/dbraw/zinc/70/02/50/571700250.db2.gz KGQYREIAHMZYSA-UWNMQHKVSA-N 2 2 476.702 6.049 1 0 endogenous,in-man JKAFLP CC(C)c1cc(F)cc2c1C[C@](CC[N@H+](C)CCCc1[nH]c3ccccc3[nH+]1)(OC(=O)C1CC1)CC2 ZINC000008034249 562938696 /nfs/dbraw/zinc/93/86/96/562938696.db2.gz SYLIICYFBKGBKE-PMERELPUSA-N 2 2 491.651 5.961 1 0 JKAFLP CC(C)c1cc(F)cc2c1C[C@](CC[N@@H+](C)CCCc1[nH]c3ccccc3[nH+]1)(OC(=O)C1CC1)CC2 ZINC000008034249 562938697 /nfs/dbraw/zinc/93/86/97/562938697.db2.gz SYLIICYFBKGBKE-PMERELPUSA-N 2 2 491.651 5.961 1 0 JKAFLP CCc1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1cccc(-c2ccc(C(N)=[NH2+])cc2)c1 ZINC000013441151 562963249 /nfs/dbraw/zinc/96/32/49/562963249.db2.gz LCVRBWUCWYMZMG-UHFFFAOYSA-N 3 2 494.643 5.438 1 0 JKAFLP CCc1[nH+]c2cc(OC3CCN(C(C)=[NH2+])CC3)ccc2n1Cc1ccc(-c2cccc(C(N)=[NH2+])c2)cc1 ZINC000013441155 562963266 /nfs/dbraw/zinc/96/32/66/562963266.db2.gz JOJOIJJNZOVEKT-UHFFFAOYSA-N 3 2 494.643 5.438 1 0 JKAFLP c1[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]c1CC[NH2+]CCCCCc1ccncc1 ZINC000013530350 562972277 /nfs/dbraw/zinc/97/22/77/562972277.db2.gz JYQVOZLMWQPQBZ-UHFFFAOYSA-N 2 2 452.646 6.115 1 0 JKAFLP CCCCCCC(=O)c1cc2c(CC[NH+]3CCN(c4cc(C)cc[nH+]4)CC3)c(C)n3c2c(c1)CCC3 ZINC000013740433 562986793 /nfs/dbraw/zinc/98/67/93/562986793.db2.gz HKELYNHHNGOUBM-UHFFFAOYSA-N 2 2 486.704 6.117 1 0 JKAFLP CCCC[NH+](CCCC)CCCOc1c(OC)cc(-c2cn3cccc(C)c3[nH+]2)cc1OC ZINC000013819560 562997284 /nfs/dbraw/zinc/99/72/84/562997284.db2.gz UBOYLMALSDHCFO-UHFFFAOYSA-N 2 2 453.627 5.998 1 0 JKAFLP COc1ccc(Br)cc1-c1nc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000026172282 563023404 /nfs/dbraw/zinc/02/34/04/563023404.db2.gz PGWQCIREQLHHHR-UHFFFAOYSA-N 2 2 472.452 5.335 1 0 JKAFLP Clc1ccc2c(NCCCCCCCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026189614 563024302 /nfs/dbraw/zinc/02/43/02/563024302.db2.gz WFBBUBCIAGJIIK-UHFFFAOYSA-N 2 2 481.471 8.345 1 0 JKAFLP Clc1ccc2c(NCCCCCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026263493 563024814 /nfs/dbraw/zinc/02/48/14/563024814.db2.gz GLWCKAQTMASNKH-UHFFFAOYSA-N 2 2 453.417 7.564 1 0 JKAFLP C[NH+]1CCN(c2cccc3c2[nH+]cn3C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1 ZINC000026391193 563027231 /nfs/dbraw/zinc/02/72/31/563027231.db2.gz NWNFUWRFXWCHMK-UHFFFAOYSA-N 2 2 458.609 5.628 1 0 JKAFLP C[NH+](CCCNc1cc[nH+]c2cc(Cl)ccc12)CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000027435736 563044223 /nfs/dbraw/zinc/04/42/23/563044223.db2.gz WYKGDIRHMPEZMN-UHFFFAOYSA-N 3 2 468.432 6.326 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2COc2ccccc2Br)CC1 ZINC000027547781 563045881 /nfs/dbraw/zinc/04/58/81/563045881.db2.gz ZBNZNZVIXLMNNZ-UHFFFAOYSA-N 2 2 473.480 5.811 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cccc3c2n1[C@@H](c1ccccc1)CC3 ZINC000027741817 563051082 /nfs/dbraw/zinc/05/10/82/563051082.db2.gz YESFCFFJOUJQQT-MUUNZHRXSA-N 2 2 450.630 5.553 1 0 JKAFLP CC(=[NH2+])N1CCC(Oc2ccc3[nH+]c(C(C)(C)C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028016772 563055050 /nfs/dbraw/zinc/05/50/50/563055050.db2.gz BPAQJTYBGWPSRM-UHFFFAOYSA-N 3 2 496.659 5.660 1 0 JKAFLP c1ccc2cc(CCC[NH2+]CCC[NH2+]CCC[NH2+]CCCc3ccc4ccccc4c3)ccc2c1 ZINC000028642232 563072805 /nfs/dbraw/zinc/07/28/05/563072805.db2.gz NEVNTQPGXWCQHN-UHFFFAOYSA-N 3 2 467.701 6.107 1 0 JKAFLP C[C@@H]([NH2+]CCNc1cc[nH+]c2cc(Cl)ccc12)c1nc(Cc2ccccc2)c(N2CCOCC2)o1 ZINC000028824123 563081847 /nfs/dbraw/zinc/08/18/47/563081847.db2.gz HKGFIJWTQBGSPO-LJQANCHMSA-N 2 2 492.023 5.066 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](C[C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000028827097 563082926 /nfs/dbraw/zinc/08/29/26/563082926.db2.gz WBKDIPKHMHKOSN-QHCPKHFHSA-N 2 2 468.620 5.905 1 0 JKAFLP O=C(C[NH+]1CCCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863290 563083420 /nfs/dbraw/zinc/08/34/20/563083420.db2.gz KAQFUUDXCRYXOL-ZIQMFUFLSA-N 2 2 486.700 5.990 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000028903795 563086453 /nfs/dbraw/zinc/08/64/53/563086453.db2.gz AYPRBDIXIJJDIB-QHCPKHFHSA-N 2 2 470.020 6.589 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000028903795 563086454 /nfs/dbraw/zinc/08/64/54/563086454.db2.gz AYPRBDIXIJJDIB-QHCPKHFHSA-N 2 2 470.020 6.589 1 0 JKAFLP C[N@@H+]1CCC[C@H]1CCNc1nc(NC2CCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038932 563090865 /nfs/dbraw/zinc/09/08/65/563090865.db2.gz GMTQJAATUOQEJE-GZMUKRDFSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@H+]1CCC[C@H]1CCNc1nc(NC2CCCCCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038932 563090866 /nfs/dbraw/zinc/09/08/66/563090866.db2.gz GMTQJAATUOQEJE-GZMUKRDFSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@@H+]1CCC[C@H]1CCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCCC2)[nH+]1 ZINC000029038932 563090867 /nfs/dbraw/zinc/09/08/67/563090867.db2.gz GMTQJAATUOQEJE-GZMUKRDFSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@H+]1CCC[C@H]1CCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCCCCC2)[nH+]1 ZINC000029038932 563090868 /nfs/dbraw/zinc/09/08/68/563090868.db2.gz GMTQJAATUOQEJE-GZMUKRDFSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@@H+]1CCC[C@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038932 563090869 /nfs/dbraw/zinc/09/08/69/563090869.db2.gz GMTQJAATUOQEJE-GZMUKRDFSA-N 2 2 467.706 5.283 1 0 JKAFLP C[N@H+]1CCC[C@H]1CCNc1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038932 563090870 /nfs/dbraw/zinc/09/08/70/563090870.db2.gz GMTQJAATUOQEJE-GZMUKRDFSA-N 2 2 467.706 5.283 1 0 JKAFLP Cc1cccc(/C=C/c2ccc3[nH+]c(NC4CC[NH+](C)CC4)n(Cc4nc(C)ccc4O)c3c2)c1 ZINC000029134517 563097905 /nfs/dbraw/zinc/09/79/05/563097905.db2.gz VLSYIRBTVVACBF-CMDGGOBGSA-N 2 2 467.617 5.479 1 0 JKAFLP [NH2+]=C(Cc1ccc2ccccc2c1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029465988 563104158 /nfs/dbraw/zinc/10/41/58/563104158.db2.gz QRVUNWLQVXLVHP-UHFFFAOYSA-N 2 2 454.017 6.420 1 0 JKAFLP Cn1c2ccccc2[nH+]c1NC1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029554892 563106565 /nfs/dbraw/zinc/10/65/65/563106565.db2.gz GQPJJPGOMFKYRI-UHFFFAOYSA-N 2 2 474.599 6.340 1 0 JKAFLP CCn1c2ccccc2[nH+]c1NC1CC[NH+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000029563861 563107300 /nfs/dbraw/zinc/10/73/00/563107300.db2.gz PILRLNAEOGGWLK-UHFFFAOYSA-N 2 2 488.626 6.823 1 0 JKAFLP CC(=O)O[C@H]1[C@H](n2cc[nH+]c2)C[C@H]2[C@@H]3CC=C4C[C@@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000031872203 563108818 /nfs/dbraw/zinc/10/88/18/563108818.db2.gz KZPNCXIHDYJAKC-JPNMGIMYSA-N 2 2 451.655 5.393 1 0 JKAFLP CC(C)c1ccc(C[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]Cc2ccc(C(C)C)cc2)cc1 ZINC000034894158 563117469 /nfs/dbraw/zinc/11/74/69/563117469.db2.gz FACLKRAWIPPKAR-UHFFFAOYSA-N 4 2 452.731 5.162 1 0 JKAFLP O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@@H]2CCC[N@H+](CCc3ccccc3)C2)CC1 ZINC000035903051 563121232 /nfs/dbraw/zinc/12/12/32/563121232.db2.gz GRDNNNQJCZJMHL-OAQYLSRUSA-N 2 2 475.464 5.098 1 0 JKAFLP O=C(Nc1ccc(Cl)c(Cl)c1)N1CC[NH+](C[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000035903051 563121233 /nfs/dbraw/zinc/12/12/33/563121233.db2.gz GRDNNNQJCZJMHL-OAQYLSRUSA-N 2 2 475.464 5.098 1 0 JKAFLP C[C@H](Oc1cc(-c2cnn([C@@H]3CCC[NH2+]C3)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl ZINC000038210762 563133109 /nfs/dbraw/zinc/13/31/09/563133109.db2.gz WRFQMXGREAFPSC-SWLSCSKDSA-N 2 2 450.345 5.038 1 0 JKAFLP Clc1cccc([C@H](Nc2cc[nH+]c3cc(Cl)ccc23)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000040429684 563143453 /nfs/dbraw/zinc/14/34/53/563143453.db2.gz LURHWZKNLHGIOH-HHHXNRCGSA-N 2 2 478.423 6.575 1 0 JKAFLP Clc1cccc([C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000040429686 563143478 /nfs/dbraw/zinc/14/34/78/563143478.db2.gz LURHWZKNLHGIOH-MHZLTWQESA-N 2 2 478.423 6.575 1 0 JKAFLP CCc1nc(C)sc1C[NH+]1CCN(c2cccc3[nH+]c(-c4ccc(C(C)(C)C)cc4)[nH]c32)CC1 ZINC000040431096 563143743 /nfs/dbraw/zinc/14/37/43/563143743.db2.gz QKQNRWHNXCIWCO-UHFFFAOYSA-N 2 2 473.690 6.177 1 0 JKAFLP O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH+]c(NCC[NH+]3CCCC3)[nH]c2c1 ZINC000040764196 563148156 /nfs/dbraw/zinc/14/81/56/563148156.db2.gz LAOLAICCPSJBOW-UHFFFAOYSA-N 2 2 491.020 5.152 1 0 JKAFLP O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2[nH]c(NCC[NH+]3CCCC3)[nH+]c2c1 ZINC000040764196 563148158 /nfs/dbraw/zinc/14/81/58/563148158.db2.gz LAOLAICCPSJBOW-UHFFFAOYSA-N 2 2 491.020 5.152 1 0 JKAFLP COc1cc2[nH+]c(N3CCC([NH+]4CCC(F)CC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040835904 563149013 /nfs/dbraw/zinc/14/90/13/563149013.db2.gz BHPCVVBZXHQNET-UHFFFAOYSA-N 2 2 485.648 5.184 1 0 JKAFLP COc1cc2[nH+]c(N3CCC([NH+]4CCCC4)CC3)nc(NC3CCCCCCC3)c2cc1OC ZINC000042923277 563163782 /nfs/dbraw/zinc/16/37/82/563163782.db2.gz XUSVOQSQOGMSKG-UHFFFAOYSA-N 2 2 467.658 5.236 1 0 JKAFLP O=C(CCC[NH2+]CC1CCCCC1)N1CC[NH+]([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000043203584 563168673 /nfs/dbraw/zinc/16/86/73/563168673.db2.gz FBBLRLYJWSSKRP-MUUNZHRXSA-N 2 2 468.085 5.524 1 0 JKAFLP COc1cccc(-c2cccc(C[NH2+]C3CC[NH+](C[C@@H]4Cn5c6c4c(F)ccc6ccc5=O)CC3)c2)c1 ZINC000045167110 563173054 /nfs/dbraw/zinc/17/30/54/563173054.db2.gz PZEUUSBYSMFMSM-RUZDIDTESA-N 2 2 497.614 5.168 1 0 JKAFLP CS(=O)(=O)CC[NH2+]Cc1nc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)cs1 ZINC000045167909 563173401 /nfs/dbraw/zinc/17/34/01/563173401.db2.gz BIGPWKXYHOHBAA-UHFFFAOYSA-N 2 2 491.013 5.029 1 0 JKAFLP O=C1OC2(CN1C[C@@H]1CC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190277 563175526 /nfs/dbraw/zinc/17/55/26/563175526.db2.gz UZSXPNUFEKCDID-HSZRJFAPSA-N 2 2 476.580 5.071 1 0 JKAFLP O=C1OC2(CN1C[C@@H]1CC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C1)c1ccccc1-c1ccccc12 ZINC000045190277 563175527 /nfs/dbraw/zinc/17/55/27/563175527.db2.gz UZSXPNUFEKCDID-HSZRJFAPSA-N 2 2 476.580 5.071 1 0 JKAFLP CCN(CCC[NH+]1CCCCC1)c1cc(C)[nH+]c(Nc2ccc(Cl)c(C(F)(F)F)c2)n1 ZINC000045201309 563178111 /nfs/dbraw/zinc/17/81/11/563178111.db2.gz DPRMVWDCOYHOCG-UHFFFAOYSA-N 2 2 455.956 5.903 1 0 JKAFLP C[C@@H](Cc1ccc(OCCCCOc2ccccc2)cc1)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000045202312 563178613 /nfs/dbraw/zinc/17/86/13/563178613.db2.gz GGQNBWVQFUZORK-QHCPKHFHSA-N 2 2 457.618 5.954 1 0 JKAFLP COc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1OCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045202416 563178687 /nfs/dbraw/zinc/17/86/87/563178687.db2.gz NCYFOPWBUIUZHQ-FMIVXFBMSA-N 2 2 498.067 5.330 1 0 JKAFLP CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3c(Nc4ccc(Cl)cc4F)cc[nH+]c3c2)o1 ZINC000045202450 563178709 /nfs/dbraw/zinc/17/87/09/563178709.db2.gz YRHLSOFNUSGATM-UHFFFAOYSA-N 2 2 473.957 5.165 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210443 563179364 /nfs/dbraw/zinc/17/93/64/563179364.db2.gz FQTTXYSHMMMREY-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210443 563179365 /nfs/dbraw/zinc/17/93/65/563179365.db2.gz FQTTXYSHMMMREY-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045210443 563179366 /nfs/dbraw/zinc/17/93/66/563179366.db2.gz FQTTXYSHMMMREY-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210439 563179399 /nfs/dbraw/zinc/17/93/99/563179399.db2.gz FQTTXYSHMMMREY-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)c2)cc1 ZINC000045210439 563179400 /nfs/dbraw/zinc/17/94/00/563179400.db2.gz FQTTXYSHMMMREY-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 ZINC000045210439 563179401 /nfs/dbraw/zinc/17/94/01/563179401.db2.gz FQTTXYSHMMMREY-JOCHJYFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228200 563180449 /nfs/dbraw/zinc/18/04/49/563180449.db2.gz JBXUQRUWMCTWJY-SFHVURJKSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)s2)cc1 ZINC000045228200 563180450 /nfs/dbraw/zinc/18/04/50/563180450.db2.gz JBXUQRUWMCTWJY-SFHVURJKSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000045228200 563180451 /nfs/dbraw/zinc/18/04/51/563180451.db2.gz JBXUQRUWMCTWJY-SFHVURJKSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)s2)cc1 ZINC000045228200 563180452 /nfs/dbraw/zinc/18/04/52/563180452.db2.gz JBXUQRUWMCTWJY-SFHVURJKSA-N 2 2 456.537 5.900 1 0 JKAFLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045228633 563180511 /nfs/dbraw/zinc/18/05/11/563180511.db2.gz XDQWTVHHFIHNIW-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)c2)C1 ZINC000045228633 563180512 /nfs/dbraw/zinc/18/05/12/563180512.db2.gz XDQWTVHHFIHNIW-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+][C@H]1CCC[N@H+](Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)C1 ZINC000045228633 563180514 /nfs/dbraw/zinc/18/05/14/563180514.db2.gz XDQWTVHHFIHNIW-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP [NH3+][C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cc3)c2)C1 ZINC000045228633 563180516 /nfs/dbraw/zinc/18/05/16/563180516.db2.gz XDQWTVHHFIHNIW-QFIPXVFZSA-N 2 2 450.508 5.839 1 0 JKAFLP O=c1ccc2ccc(F)c3c2n1C[C@H]3C[NH+]1CCC([NH2+]Cc2cccc(-c3ccccc3F)c2)CC1 ZINC000045230079 563181077 /nfs/dbraw/zinc/18/10/77/563181077.db2.gz SGAZVKQFMXCAJP-HSZRJFAPSA-N 2 2 485.578 5.298 1 0 JKAFLP c1cc(-c2ccc(C[NH+]3CCC([NH+]4CCCCC4)CC3)cc2)sc1-c1nc2ccccc2[nH]1 ZINC000045334431 563189511 /nfs/dbraw/zinc/18/95/11/563189511.db2.gz LNGFLQYZEMQXPD-UHFFFAOYSA-N 2 2 456.659 6.409 1 0 JKAFLP Cc1cc2[nH+]c(N3CC[NH+](C)CC3)n(CC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2cc1C ZINC000045357554 563192626 /nfs/dbraw/zinc/19/26/26/563192626.db2.gz QCFQKEJURMDJLD-UHFFFAOYSA-N 2 2 490.692 5.588 1 0 JKAFLP CCCc1nc(-c2ccccc2)c(C[NH2+]CCC[NH+]2CCN(c3ccccc3C(F)(F)F)CC2)o1 ZINC000053296360 563205651 /nfs/dbraw/zinc/20/56/51/563205651.db2.gz FMGDOVMPBWVICO-UHFFFAOYSA-N 2 2 486.582 5.615 1 0 JKAFLP COc1ccc(C[NH2+]CCCC(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000058563745 563207386 /nfs/dbraw/zinc/20/73/86/563207386.db2.gz DIQYKFLHIVXEGF-LJAQVGFWSA-N 2 2 492.063 5.152 1 0 JKAFLP Oc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(Cl)cc3)CC2)c1 ZINC000058583772 563207926 /nfs/dbraw/zinc/20/79/26/563207926.db2.gz RRDVHCJJKLEZDI-UHFFFAOYSA-N 2 2 461.009 6.066 1 0 JKAFLP CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]([NH2+]Cc1c[nH+]cn1C)C(=O)NCc1ccccc1 ZINC000013489401 562968686 /nfs/dbraw/zinc/96/86/86/562968686.db2.gz FDLPZASLZAJVML-JOFJZCFSSA-N 2 2 462.682 6.004 1 0 JKAFLP Cn1cncc1[C@]([NH3+])(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1[nH+]ccn12 ZINC000013587831 562977402 /nfs/dbraw/zinc/97/74/02/562977402.db2.gz CGJFRYFIVOQHJK-NDEPHWFRSA-N 2 2 498.417 6.445 1 0 JKAFLP Cc1cc2cc(Nc3cc[nH+]c4cc(-c5ccc(C[NH+]6CCOCC6)cc5)sc43)ccc2[nH]1 ZINC000013588198 562977483 /nfs/dbraw/zinc/97/74/83/562977483.db2.gz NWVUSUJOHOVKNG-UHFFFAOYSA-N 2 2 454.599 6.329 1 0 JKAFLP Cc1cc[nH+]c(N2CC[NH+](CCc3c4cccc5c4n(c3Cc3ccccc3)CCC5)CC2)c1 ZINC000013740419 562986746 /nfs/dbraw/zinc/98/67/46/562986746.db2.gz CDYJDYXEQYKXMZ-UHFFFAOYSA-N 2 2 450.630 5.246 1 0 JKAFLP Cc1cc[nH+]c(N2CC[NH+](CCc3c4cccc5c4n(c3-c3ccc(Cl)cc3)CCC5)CC2)c1 ZINC000013740416 562986779 /nfs/dbraw/zinc/98/67/79/562986779.db2.gz GIAQGHCGZWYVDM-UHFFFAOYSA-N 2 2 471.048 5.976 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cc(CC3CCCCC3)cc3c2n1CCC3 ZINC000013740436 562986841 /nfs/dbraw/zinc/98/68/41/562986841.db2.gz RTHXVABBASSMJG-UHFFFAOYSA-N 2 2 470.705 6.087 1 0 JKAFLP Cc1cccn2cc(-c3ccc(OCCC[N@@H+]([C@H](C)c4ccccc4)[C@@H](C)c4ccccc4)cc3)[nH+]c12 ZINC000013819574 562997197 /nfs/dbraw/zinc/99/71/97/562997197.db2.gz STGUFHDPMAXHPU-MKPDMIMOSA-N 2 2 489.663 7.903 1 0 JKAFLP Cc1cccn2cc(-c3ccc(OCCC[N@H+]([C@H](C)c4ccccc4)[C@@H](C)c4ccccc4)cc3)[nH+]c12 ZINC000013819574 562997199 /nfs/dbraw/zinc/99/71/99/562997199.db2.gz STGUFHDPMAXHPU-MKPDMIMOSA-N 2 2 489.663 7.903 1 0 JKAFLP CCCCCNC(=O)Nc1c(C[NH+](C)C)cccc1OCCCn1c[nH+]c(-c2ccccc2)c1C ZINC000013827633 562998747 /nfs/dbraw/zinc/99/87/47/562998747.db2.gz MGXCHLQMMDQEON-UHFFFAOYSA-N 2 2 477.653 5.701 1 0 JKAFLP COc1ccc(Br)cc1-c1nc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000026166264 563023054 /nfs/dbraw/zinc/02/30/54/563023054.db2.gz FYSSSSIVDTYBFD-SFHVURJKSA-N 2 2 472.452 5.193 1 0 JKAFLP COc1ccc(Br)cc1-c1nc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000026166264 563023055 /nfs/dbraw/zinc/02/30/55/563023055.db2.gz FYSSSSIVDTYBFD-SFHVURJKSA-N 2 2 472.452 5.193 1 0 JKAFLP Clc1ccc2c(NCCCCCCCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000026263793 563024767 /nfs/dbraw/zinc/02/47/67/563024767.db2.gz DAOUUTKYTDWYHN-UHFFFAOYSA-N 2 2 467.444 7.954 1 0 JKAFLP O=C(C[N@@H+]1CCc2ccccc2C1)Nc1cc(CO)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026673672 563033389 /nfs/dbraw/zinc/03/33/89/563033389.db2.gz ZUKBLVVMZWYEAL-UHFFFAOYSA-N 2 2 472.976 5.121 1 0 JKAFLP O=C(C[N@H+]1CCc2ccccc2C1)Nc1cc(CO)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026673672 563033390 /nfs/dbraw/zinc/03/33/90/563033390.db2.gz ZUKBLVVMZWYEAL-UHFFFAOYSA-N 2 2 472.976 5.121 1 0 JKAFLP O=C(C[NH+]1CCCCC1)Nc1cc(C[NH+]2CCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026672430 563033411 /nfs/dbraw/zinc/03/34/11/563033411.db2.gz CWGSXNCSQQWMAR-UHFFFAOYSA-N 3 2 478.040 5.652 1 0 JKAFLP O=C(C[NH2+]Cc1ccc(Cl)cc1)Nc1cc(CO)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026673300 563033415 /nfs/dbraw/zinc/03/34/15/563033415.db2.gz LWDGYYFLQLSVNU-UHFFFAOYSA-N 2 2 481.383 5.506 1 0 JKAFLP CC(C)(C)[NH2+]Cc1cc(NC(=O)C[NH+]2CCCCC2)cc(Nc2cc[nH+]c3cc(Cl)ccc23)c1 ZINC000026675069 563033593 /nfs/dbraw/zinc/03/35/93/563033593.db2.gz QSOGJVOTGLFPIT-UHFFFAOYSA-N 3 2 480.056 5.944 1 0 JKAFLP CC1CC[NH+](CCCCC(=O)Nc2cc(CO)cc(Nc3cc[nH+]c4cc(Cl)ccc34)c2)CC1 ZINC000026717565 563033678 /nfs/dbraw/zinc/03/36/78/563033678.db2.gz CVKGSRDEGXDDFG-UHFFFAOYSA-N 2 2 481.040 5.965 1 0 JKAFLP Clc1ccc2c(NCCOCCOCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000027438894 563044358 /nfs/dbraw/zinc/04/43/58/563044358.db2.gz IRQRLNOREJGFRD-UHFFFAOYSA-N 2 2 471.388 5.647 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000027526441 563045611 /nfs/dbraw/zinc/04/56/11/563045611.db2.gz VQDQYRCYSZGICA-HSZRJFAPSA-N 2 2 463.474 5.858 1 0 JKAFLP C[C@H](Oc1ccc(Cl)cc1Cl)c1sc2ccccc2c1CC[NH+]1CCC([NH+](C)C)CC1 ZINC000027547589 563045746 /nfs/dbraw/zinc/04/57/46/563045746.db2.gz GWEOLVZRSLFSNU-KRWDZBQOSA-N 2 2 477.501 6.917 1 0 JKAFLP C[NH+](C)C1CC[NH+](CCc2c3ccccc3sc2C(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000027548353 563045895 /nfs/dbraw/zinc/04/58/95/563045895.db2.gz HFVUIOPIZOHHTD-UHFFFAOYSA-N 2 2 476.473 6.029 1 0 JKAFLP C[C@H]([C@H](c1ccc2cc(OCc3ccc(OC(C)(C)C)cc3)ccc2c1)n1cc[nH+]c1)[NH+](C)C ZINC000028331853 563059614 /nfs/dbraw/zinc/05/96/14/563059614.db2.gz ZYAKTISGGAZUDF-LYZGTLIUSA-N 2 2 457.618 6.332 1 0 JKAFLP CC[NH+](CC)CCC[C@H](C)Nc1nc(NCc2ccc(Cl)cc2Cl)[nH+]c2ccccc21 ZINC000028817847 563080015 /nfs/dbraw/zinc/08/00/15/563080015.db2.gz IYAPHDTVUXJQJI-KRWDZBQOSA-N 2 2 460.453 6.471 1 0 JKAFLP CC(=O)c1ccc(Nc2[nH+]c3ccc(C(=O)N(CC(C)C)CC(C)C)cc3n2CCC[NH3+])cc1 ZINC000028823759 563081745 /nfs/dbraw/zinc/08/17/45/563081745.db2.gz HFCDCALJUCRELK-UHFFFAOYSA-N 2 2 463.626 5.086 1 0 JKAFLP O=C(C[NH+]1CCCCC1)O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 ZINC000028863282 563083460 /nfs/dbraw/zinc/08/34/60/563083460.db2.gz CYGWCJHPTBKLCK-KVSLOUQESA-N 2 2 472.673 5.600 1 0 JKAFLP Cc1c[nH+]ccc1/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872540 563084257 /nfs/dbraw/zinc/08/42/57/563084257.db2.gz DWEARRASECQSHP-YTQBCWRKSA-N 2 2 458.690 6.744 1 0 JKAFLP Nc1nccn2c(C3CC(C[NH+]4CCCC4)C3)[nH+]c(-c3cccc(OCc4ccccc4)c3)c12 ZINC000028885883 563084910 /nfs/dbraw/zinc/08/49/10/563084910.db2.gz CQFVDHNTTRWVQD-UHFFFAOYSA-N 2 2 453.590 5.147 1 0 JKAFLP CCC[N@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)Cc1ccccc1 ZINC000028903689 563086461 /nfs/dbraw/zinc/08/64/61/563086461.db2.gz MXJHLNUMHLEEQE-UHFFFAOYSA-N 2 2 472.036 6.664 1 0 JKAFLP CCC[N@@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)Cc1ccccc1 ZINC000028903689 563086462 /nfs/dbraw/zinc/08/64/62/563086462.db2.gz MXJHLNUMHLEEQE-UHFFFAOYSA-N 2 2 472.036 6.664 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@H](CCc2ccccc2)C1 ZINC000028903814 563086469 /nfs/dbraw/zinc/08/64/69/563086469.db2.gz PBEQQVOUDMAYFD-DEOSSOPVSA-N 2 2 498.074 6.707 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CC[C@H](CCc2ccccc2)C1 ZINC000028903814 563086471 /nfs/dbraw/zinc/08/64/71/563086471.db2.gz PBEQQVOUDMAYFD-DEOSSOPVSA-N 2 2 498.074 6.707 1 0 JKAFLP CCC[N@H+](CCC1CC1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903728 563086513 /nfs/dbraw/zinc/08/65/13/563086513.db2.gz GNQYBWZMHUTKBA-UHFFFAOYSA-N 2 2 450.030 6.264 1 0 JKAFLP CCC[N@@H+](CCC1CC1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903728 563086515 /nfs/dbraw/zinc/08/65/15/563086515.db2.gz GNQYBWZMHUTKBA-UHFFFAOYSA-N 2 2 450.030 6.264 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+](C)CCc1cccnc1 ZINC000028903846 563086538 /nfs/dbraw/zinc/08/65/38/563086538.db2.gz UWAPMULOEFTYNM-UHFFFAOYSA-N 2 2 458.997 5.321 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+](C)CCc1cccnc1 ZINC000028903846 563086539 /nfs/dbraw/zinc/08/65/39/563086539.db2.gz UWAPMULOEFTYNM-UHFFFAOYSA-N 2 2 458.997 5.321 1 0 JKAFLP CCC[N@@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CCC1 ZINC000028903684 563086577 /nfs/dbraw/zinc/08/65/77/563086577.db2.gz BZGUNPFVJIKLEZ-UHFFFAOYSA-N 2 2 450.030 6.264 1 0 JKAFLP CCC[N@H+](Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl)CC1CCC1 ZINC000028903684 563086578 /nfs/dbraw/zinc/08/65/78/563086578.db2.gz BZGUNPFVJIKLEZ-UHFFFAOYSA-N 2 2 450.030 6.264 1 0 JKAFLP Clc1ccc2c(c1)nccc2[C@](c1ccccc1)(c1ccc(C[NH+]2CCCC2)cc1)n1cc[nH+]c1 ZINC000029135415 563098089 /nfs/dbraw/zinc/09/80/89/563098089.db2.gz MADOIFCQUKLARP-PMERELPUSA-N 2 2 479.027 6.521 1 0 JKAFLP FC(F)(F)c1cccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)c1 ZINC000029562586 563107168 /nfs/dbraw/zinc/10/71/68/563107168.db2.gz YYWMZFBABQCNFH-UHFFFAOYSA-N 2 2 478.562 6.222 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCc3cccc4ccccc43)CC2)cc1 ZINC000029564462 563107291 /nfs/dbraw/zinc/10/72/91/563107291.db2.gz ANIOFEOYGVZLHE-UHFFFAOYSA-N 2 2 478.615 6.496 1 0 JKAFLP O=c1[nH]c2ccccc2n1CCC[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029567203 563107395 /nfs/dbraw/zinc/10/73/95/563107395.db2.gz ATPMJPODSUYNQX-UHFFFAOYSA-N 2 2 498.606 5.246 1 0 JKAFLP c1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000029566023 563107485 /nfs/dbraw/zinc/10/74/85/563107485.db2.gz ACTCKCQNTSVYTR-UHFFFAOYSA-N 2 2 472.636 6.751 1 0 JKAFLP COc1ccccc1CC[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccc(F)cc2)CC1 ZINC000029568248 563107543 /nfs/dbraw/zinc/10/75/43/563107543.db2.gz BDFPKQZWHRXIKO-UHFFFAOYSA-N 2 2 458.581 5.351 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCCOc3ccccc3)CC2)cc1 ZINC000029569081 563107631 /nfs/dbraw/zinc/10/76/31/563107631.db2.gz XYWVMNRSKTZJCS-UHFFFAOYSA-N 2 2 458.581 5.569 1 0 JKAFLP COc1cccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccc(F)cc3)CC2)c1 ZINC000029568878 563107652 /nfs/dbraw/zinc/10/76/52/563107652.db2.gz UNPPCNQQKHBGQZ-UHFFFAOYSA-N 2 2 458.581 5.351 1 0 JKAFLP COc1ccc(CCn2c3ccccc3[nH+]c2NC2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1 ZINC000033335530 563110413 /nfs/dbraw/zinc/11/04/13/563110413.db2.gz RCPXWTCRAUXWDE-UHFFFAOYSA-N 2 2 484.644 5.415 1 0 JKAFLP CC[NH+](CC)CCCCNc1cc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3cc(OC)ccc3c2)cc[nH+]1 ZINC000034359558 563113453 /nfs/dbraw/zinc/11/34/53/563113453.db2.gz RAHUAXQUGFXNFM-UHFFFAOYSA-N 2 2 499.703 7.132 1 0 JKAFLP C[N@H+](Cc1nc2ccccc2n1C[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CCCc2cccnc21 ZINC000034662888 563114507 /nfs/dbraw/zinc/11/45/07/563114507.db2.gz AZXYEYLEAPSWTK-CUBQBAPOSA-N 2 2 480.660 5.248 1 0 JKAFLP C[N@@H+](Cc1nc2ccccc2n1C[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CCCc2cccnc21 ZINC000034662888 563114508 /nfs/dbraw/zinc/11/45/08/563114508.db2.gz AZXYEYLEAPSWTK-CUBQBAPOSA-N 2 2 480.660 5.248 1 0 JKAFLP C[NH+](Cc1nc2ccccc2n1C[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CCCc2cccnc21 ZINC000034662888 563114509 /nfs/dbraw/zinc/11/45/09/563114509.db2.gz AZXYEYLEAPSWTK-CUBQBAPOSA-N 2 2 480.660 5.248 1 0 JKAFLP C[NH+](Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+](Cc2cccnc2)C1)[C@H]1CCCc2cccnc21 ZINC000034662888 563114510 /nfs/dbraw/zinc/11/45/10/563114510.db2.gz AZXYEYLEAPSWTK-CUBQBAPOSA-N 2 2 480.660 5.248 1 0 JKAFLP CC(C)(C)[NH2+]Cc1c(Nc2cc[nH+]c3cc(Cl)ccc23)cc(O)cc1-c1ccc(Cl)cc1 ZINC000035259253 563119528 /nfs/dbraw/zinc/11/95/28/563119528.db2.gz BGIOQBTVXZFHTF-UHFFFAOYSA-N 2 2 466.412 7.546 1 0 JKAFLP FC(F)(F)c1cccc(N2CC[NH+](CCCCNc3cc(-c4ccccc4)cc[nH+]3)CC2)c1 ZINC000035874195 563121042 /nfs/dbraw/zinc/12/10/42/563121042.db2.gz OLHTYSHHUSHAPW-UHFFFAOYSA-N 2 2 454.540 5.782 1 0 JKAFLP [NH3+][C@@H](Cc1ccccc1)C[NH+]1CCC(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000036093123 563122231 /nfs/dbraw/zinc/12/22/31/563122231.db2.gz YGBCDXIPWNLLEI-NDEPHWFRSA-N 2 2 464.600 5.743 1 0 JKAFLP O=c1[nH]c2cc(Cl)ccc2n1C1CC[NH+](C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)CC1 ZINC000040402435 563139636 /nfs/dbraw/zinc/13/96/36/563139636.db2.gz CRCUINALVBZFCY-UHFFFAOYSA-N 2 2 492.973 5.303 1 0 JKAFLP Clc1ccc2sc(C[NH+]3CCN(c4ncnc5c4C[N@H+](Cc4ccccc4)CC5)CC3)cc2c1 ZINC000040412390 563140998 /nfs/dbraw/zinc/14/09/98/563140998.db2.gz RNCURSXJESLWEQ-UHFFFAOYSA-N 2 2 490.076 5.225 1 0 JKAFLP Clc1ccc2sc(C[NH+]3CCN(c4ncnc5c4C[N@@H+](Cc4ccccc4)CC5)CC3)cc2c1 ZINC000040412390 563140999 /nfs/dbraw/zinc/14/09/99/563140999.db2.gz RNCURSXJESLWEQ-UHFFFAOYSA-N 2 2 490.076 5.225 1 0 JKAFLP Cc1c(C[NH+]2CCCC2)cc(-c2ccc(Cl)cc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000040429044 563143232 /nfs/dbraw/zinc/14/32/32/563143232.db2.gz HHRUDLQQSYMJJR-UHFFFAOYSA-N 2 2 451.401 6.211 1 0 JKAFLP COc1cc2[nH+]c(N3CC[NH+](C4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC ZINC000040865891 563151013 /nfs/dbraw/zinc/15/10/13/563151013.db2.gz ISQMRAVNYHYMRP-UHFFFAOYSA-N 2 2 467.658 5.236 1 0 JKAFLP Cc1cccc(-c2[nH]c3c(cccc3N3CC[NH+](CCOc4cccc5[nH]c(=S)[nH]c54)CC3)[nH+]2)c1 ZINC000040981147 563162531 /nfs/dbraw/zinc/16/25/31/563162531.db2.gz KWDIWSGAORZYRH-UHFFFAOYSA-N 2 2 484.629 5.278 1 0 JKAFLP Fc1ccc2nc(-c3ccc(-c4cccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)c4)cc3)[nH]c2c1 ZINC000045168873 563173931 /nfs/dbraw/zinc/17/39/31/563173931.db2.gz PQENZNIKJMSNGM-UHFFFAOYSA-N 2 2 463.560 5.753 1 0 JKAFLP C[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(Oc4cccc(Cl)c4)cc3)cc2)CC1 ZINC000045187569 563174408 /nfs/dbraw/zinc/17/44/08/563174408.db2.gz NNMBKGQYSGFHAN-UHFFFAOYSA-N 2 2 486.037 5.117 1 0 JKAFLP Oc1cc(Nc2cc[nH+]c3cc(-c4ccc(C[NH+]5CCCCC5)o4)ccc23)c(Cl)cc1F ZINC000045193990 563176930 /nfs/dbraw/zinc/17/69/30/563176930.db2.gz LQDDDBRIRPYMLA-UHFFFAOYSA-N 2 2 451.929 6.722 1 0 JKAFLP CS(=O)(=O)CC[NH2+]Cc1cccc(-c2ccc3c(Nc4cc(O)c(Cl)cc4F)cc[nH+]c3c2)c1 ZINC000045195013 563177326 /nfs/dbraw/zinc/17/73/26/563177326.db2.gz OZZJDPJCYNDZKR-UHFFFAOYSA-N 2 2 499.995 5.278 1 0 JKAFLP C[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)s4)cc3)CC2)CC1 ZINC000045195572 563177529 /nfs/dbraw/zinc/17/75/29/563177529.db2.gz IZQORYZDEQHYQE-UHFFFAOYSA-N 2 2 489.664 5.309 1 0 JKAFLP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)cc3)CC2)C1 ZINC000045202937 563179161 /nfs/dbraw/zinc/17/91/61/563179161.db2.gz LSVGVGAFKYWUPM-DEOSSOPVSA-N 2 2 497.662 5.495 1 0 JKAFLP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4ccc(-c5nc6ccc(F)cc6[nH]5)cc4)cc3)CC2)C1 ZINC000045202937 563179162 /nfs/dbraw/zinc/17/91/62/563179162.db2.gz LSVGVGAFKYWUPM-DEOSSOPVSA-N 2 2 497.662 5.495 1 0 JKAFLP Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)[N@H+](C)[C@@H](C)C5)cc34)cc2C)cc(C)[nH+]1 ZINC000045227130 563179898 /nfs/dbraw/zinc/17/98/98/563179898.db2.gz MBYXZTHDGYFIBC-SZPZYZBQSA-N 2 2 482.628 6.201 1 0 JKAFLP Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@@H](C)[N@@H+](C)[C@@H](C)C5)cc34)cc2C)cc(C)[nH+]1 ZINC000045227130 563179899 /nfs/dbraw/zinc/17/98/99/563179899.db2.gz MBYXZTHDGYFIBC-SZPZYZBQSA-N 2 2 482.628 6.201 1 0 JKAFLP Fc1ccc2nc(-c3ccc(-c4ccc(C[NH+]5CCN(c6cc[nH+]cc6)CC5)cc4)cc3)[nH]c2c1 ZINC000045227458 563180033 /nfs/dbraw/zinc/18/00/33/563180033.db2.gz LUKCFXSDYFDVFO-UHFFFAOYSA-N 2 2 463.560 5.753 1 0 JKAFLP C[N@@H+]1CCC[C@H]([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000045389967 563194990 /nfs/dbraw/zinc/19/49/90/563194990.db2.gz KGKFKQGQYIUQAL-BHDXBOSCSA-N 2 2 481.684 5.436 1 0 JKAFLP C[N@H+]1CCC[C@H]([C@@H](c2ccccc2)[NH+]2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)C1 ZINC000045389967 563194991 /nfs/dbraw/zinc/19/49/91/563194991.db2.gz KGKFKQGQYIUQAL-BHDXBOSCSA-N 2 2 481.684 5.436 1 0 JKAFLP C[NH+]1CCc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4c3C[N@H+](C)CC4)c2C1 ZINC000049109807 563202129 /nfs/dbraw/zinc/20/21/29/563202129.db2.gz JADBPNYNHZGHDV-UHFFFAOYSA-N 2 2 496.743 7.003 1 0 JKAFLP C[NH+]1CCc2c3ccccc3n(CCCCCCCCCn3c4ccccc4c4c3C[N@@H+](C)CC4)c2C1 ZINC000049109807 563202130 /nfs/dbraw/zinc/20/21/30/563202130.db2.gz JADBPNYNHZGHDV-UHFFFAOYSA-N 2 2 496.743 7.003 1 0 JKAFLP Cc1c(C[NH+]2CCCC2)cc(-c2ccc(C(F)(F)F)cc2)n1Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000058580896 563207714 /nfs/dbraw/zinc/20/77/14/563207714.db2.gz CXFQDPPVGWQFGQ-UHFFFAOYSA-N 2 2 484.953 7.155 1 0 JKAFLP CC(=O)Nc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccccc3)CC2)c1 ZINC000058592814 563208281 /nfs/dbraw/zinc/20/82/81/563208281.db2.gz KQIUBTAVIPAELX-UHFFFAOYSA-N 2 2 467.617 5.666 1 0 JKAFLP CC[C@H](C)c1[nH+]c2ccc(OC3CCN(C(C)=[NH2+])CC3)cc2n1Cc1ccc2ccc(C(N)=[NH2+])cc2c1 ZINC000058669040 563208667 /nfs/dbraw/zinc/20/86/67/563208667.db2.gz VAFXSZNDHFVLNK-IBGZPJMESA-N 3 2 496.659 5.876 1 0 JKAFLP C/C(=C\c1ccco1)C[N@@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012030604 562958813 /nfs/dbraw/zinc/95/88/13/562958813.db2.gz DKAUDYJXQZDJDK-CJLVFECKSA-N 2 2 459.590 5.016 1 0 JKAFLP C/C(=C\c1ccco1)C[N@H+]1CCOc2ccc(C[NH+]3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012030604 562958814 /nfs/dbraw/zinc/95/88/14/562958814.db2.gz DKAUDYJXQZDJDK-CJLVFECKSA-N 2 2 459.590 5.016 1 0 JKAFLP CCCN(c1cccc[nH+]1)C1CC[NH+](C[C@H]2CN(C(=O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1 ZINC000013487340 562967747 /nfs/dbraw/zinc/96/77/47/562967747.db2.gz FCCZWTBDYBVQPP-LMSSTIIKSA-N 2 2 488.720 5.585 1 0 JKAFLP c1[nH]c(CCC(c2ccccc2)c2ccccc2)[nH+]c1CC[NH2+]CCCCCc1cccnc1 ZINC000013530336 562972184 /nfs/dbraw/zinc/97/21/84/562972184.db2.gz FLLLBFFMUHXPJP-UHFFFAOYSA-N 2 2 452.646 6.115 1 0 JKAFLP c1[nH+]c(CCC(c2ccccc2)c2ccccc2)[nH]c1CC[NH2+]CCCCCc1cccnc1 ZINC000013530336 562972185 /nfs/dbraw/zinc/97/21/85/562972185.db2.gz FLLLBFFMUHXPJP-UHFFFAOYSA-N 2 2 452.646 6.115 1 0 JKAFLP OCCOCC[NH2+]Cc1ccc(-c2cc3[nH+]ccc(Nc4ccc5[nH]ccc5c4)c3s2)cc1 ZINC000013588190 562977470 /nfs/dbraw/zinc/97/74/70/562977470.db2.gz FTHVRWNSFRDQNV-UHFFFAOYSA-N 2 2 458.587 5.287 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cc(C(=O)C3CCCCC3)cc3c2n1CCC3 ZINC000013740435 562986703 /nfs/dbraw/zinc/98/67/03/562986703.db2.gz JNBKPDDHIOEPRK-UHFFFAOYSA-N 2 2 484.688 5.727 1 0 JKAFLP Cc1c(CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)c2cc(C(=O)C(C)(C)C)cc3c2n1CCC3 ZINC000013740432 562986776 /nfs/dbraw/zinc/98/67/76/562986776.db2.gz IEDPHZOOSOPEJY-UHFFFAOYSA-N 2 2 458.650 5.193 1 0 JKAFLP Cc1cccn2cc(-c3ccc(OCCC[NH+]([C@@H](C)c4ccccc4)[C@@H](C)c4ccccc4)cc3)[nH+]c12 ZINC000013819570 562997271 /nfs/dbraw/zinc/99/72/71/562997271.db2.gz STGUFHDPMAXHPU-SVBPBHIXSA-N 2 2 489.663 7.903 1 0 JKAFLP CC[C@H]1C[N@@H+]2CCc3c4ccc(O)cc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[NH+]1C ZINC000014616170 563006026 /nfs/dbraw/zinc/00/60/26/563006026.db2.gz KETKPZBETQITST-HVYZTVOGSA-N 2 2 468.645 5.919 1 0 JKAFLP CC[C@H]1C[N@H+]2CCc3c4ccc(O)cc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[NH+]1C ZINC000014616170 563006028 /nfs/dbraw/zinc/00/60/28/563006028.db2.gz KETKPZBETQITST-HVYZTVOGSA-N 2 2 468.645 5.919 1 0 JKAFLP CC[C@H]1C[NH+]2CCc3c4ccc(O)cc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C ZINC000014616170 563006030 /nfs/dbraw/zinc/00/60/30/563006030.db2.gz KETKPZBETQITST-HVYZTVOGSA-N 2 2 468.645 5.919 1 0 JKAFLP CC[C@H]1C[NH+]2CCc3c4ccc(O)cc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C ZINC000014616170 563006032 /nfs/dbraw/zinc/00/60/32/563006032.db2.gz KETKPZBETQITST-HVYZTVOGSA-N 2 2 468.645 5.919 1 0 JKAFLP CC[C@H]1C[N@@H+]2CCc3c4cc(O)ccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[NH+]1C ZINC000014616160 563006040 /nfs/dbraw/zinc/00/60/40/563006040.db2.gz LJLFWHVFRNHBRP-HVYZTVOGSA-N 2 2 468.645 5.919 1 0 JKAFLP CC[C@H]1C[N@H+]2CCc3c4cc(O)ccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[NH+]1C ZINC000014616160 563006041 /nfs/dbraw/zinc/00/60/41/563006041.db2.gz LJLFWHVFRNHBRP-HVYZTVOGSA-N 2 2 468.645 5.919 1 0 JKAFLP CC[C@H]1C[NH+]2CCc3c4cc(O)ccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1C ZINC000014616160 563006043 /nfs/dbraw/zinc/00/60/43/563006043.db2.gz LJLFWHVFRNHBRP-HVYZTVOGSA-N 2 2 468.645 5.919 1 0 JKAFLP CC[C@H]1C[NH+]2CCc3c4cc(O)ccc4[nH]c3[C@@H]2C[C@@H]1C[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1C ZINC000014616160 563006045 /nfs/dbraw/zinc/00/60/45/563006045.db2.gz LJLFWHVFRNHBRP-HVYZTVOGSA-N 2 2 468.645 5.919 1 0 JKAFLP [NH3+][C@H](COc1cncc(/C=C/c2cc[nH+]c(NCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 ZINC000014957787 563007908 /nfs/dbraw/zinc/00/79/08/563007908.db2.gz VYSCVTWBPNLALC-BKRCECSGSA-N 2 2 475.596 5.689 1 0 JKAFLP Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@H+]3CC[NH2+]Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022932180 563018456 /nfs/dbraw/zinc/01/84/56/563018456.db2.gz AKCFGSWTIGIRNF-FITHBNAOSA-N 2 2 462.584 5.856 1 0 JKAFLP Fc1ccc(C(OC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC[NH2+]Cc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022932180 563018457 /nfs/dbraw/zinc/01/84/57/563018457.db2.gz AKCFGSWTIGIRNF-FITHBNAOSA-N 2 2 462.584 5.856 1 0 JKAFLP Fc1ccc(C(OCC[N@@H+]2CCC[C@H]2C[NH2+]CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022938550 563019225 /nfs/dbraw/zinc/01/92/25/563019225.db2.gz RNMMMKSJGRTVQB-NDEPHWFRSA-N 2 2 464.600 5.758 1 0 JKAFLP Fc1ccc(C(OCC[N@H+]2CCC[C@H]2C[NH2+]CCCc2ccccc2)c2ccc(F)cc2)cc1 ZINC000022938550 563019226 /nfs/dbraw/zinc/01/92/26/563019226.db2.gz RNMMMKSJGRTVQB-NDEPHWFRSA-N 2 2 464.600 5.758 1 0 JKAFLP CC(C)(C)c1ccc(C[N@H+]2Cc3ccccc3N(Cc3c[nH]c[nH+]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025984350 563021087 /nfs/dbraw/zinc/02/10/87/563021087.db2.gz CCTBRCWXVIUBNA-SSEXGKCCSA-N 2 2 478.684 6.731 1 0 JKAFLP CC(C)(C)c1ccc(C[N@@H+]2Cc3ccccc3N(Cc3c[nH]c[nH+]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025984350 563021088 /nfs/dbraw/zinc/02/10/88/563021088.db2.gz CCTBRCWXVIUBNA-SSEXGKCCSA-N 2 2 478.684 6.731 1 0 JKAFLP CC(C)(C)c1ccc(C[N@H+]2Cc3ccccc3N(Cc3c[nH+]c[nH]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025984350 563021089 /nfs/dbraw/zinc/02/10/89/563021089.db2.gz CCTBRCWXVIUBNA-SSEXGKCCSA-N 2 2 478.684 6.731 1 0 JKAFLP CC(C)(C)c1ccc(C[N@@H+]2Cc3ccccc3N(Cc3c[nH+]c[nH]3)[C@H](CCc3ccccc3)C2)cc1 ZINC000025984350 563021090 /nfs/dbraw/zinc/02/10/90/563021090.db2.gz CCTBRCWXVIUBNA-SSEXGKCCSA-N 2 2 478.684 6.731 1 0 JKAFLP Cc1c2cccc3c2n(c1-c1cc(C)c(O)c(C)c1)C[C@H](CC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1)O3 ZINC000026401823 563027562 /nfs/dbraw/zinc/02/75/62/563027562.db2.gz MJROCKFCUPCOPX-VWLOTQADSA-N 2 2 496.655 5.616 1 0 JKAFLP COc1cc(-c2c(C)c3cccc4c3n2C[C@H](CC[NH+]2CCN(c3cc(C)cc[nH+]3)CC2)O4)ccc1O ZINC000026473171 563028018 /nfs/dbraw/zinc/02/80/18/563028018.db2.gz NJNGWQSMOHNUIR-QHCPKHFHSA-N 2 2 498.627 5.008 1 0 JKAFLP COc1ccc(C[NH2+][C@@H](C[NH2+][C@@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026997964 563038877 /nfs/dbraw/zinc/03/88/77/563038877.db2.gz BVAQUQXGHOSEIC-BKMJKUGQSA-N 2 2 454.614 5.909 1 0 JKAFLP COc1ccc(C[NH2+][C@@H](C[NH2+][C@H](C)c2cccc3ccccc32)Cc2ccccc2)cc1OC ZINC000026997976 563038940 /nfs/dbraw/zinc/03/89/40/563038940.db2.gz BVAQUQXGHOSEIC-ATIYNZHBSA-N 2 2 454.614 5.909 1 0 JKAFLP C[C@H](Nc1cc(-c2[nH]c(C3(O)CC[NH+](C)CC3)nc2-c2ccc(F)cc2)cc[nH+]1)c1ccccc1 ZINC000027189000 563040927 /nfs/dbraw/zinc/04/09/27/563040927.db2.gz NIHRDFVTTPUXSZ-IBGZPJMESA-N 2 2 471.580 5.364 1 0 JKAFLP Cc1ccc(OCc2sc3ccccc3c2CC[NH+]2CCC([NH+](C)C)CC2)c(C(C)(C)C)c1 ZINC000027526686 563045722 /nfs/dbraw/zinc/04/57/22/563045722.db2.gz ICTVHDVNJFMPKD-UHFFFAOYSA-N 2 2 464.719 6.655 1 0 JKAFLP Clc1ccc2c(c1Cl)C[NH+](CCCC[N@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872587 563052532 /nfs/dbraw/zinc/05/25/32/563052532.db2.gz XDERLJUQBNQEEB-UHFFFAOYSA-N 2 2 458.260 6.497 1 0 JKAFLP Clc1ccc2c(c1Cl)C[NH+](CCCC[N@@H+]1CCc3ccc(Cl)c(Cl)c3C1)CC2 ZINC000027872587 563052534 /nfs/dbraw/zinc/05/25/34/563052534.db2.gz XDERLJUQBNQEEB-UHFFFAOYSA-N 2 2 458.260 6.497 1 0 JKAFLP CC(=[NH2+])N1CCC(Oc2ccc3[nH+]c(C(C)C)n(Cc4ccc5ccc(C(N)=[NH2+])cc5c4)c3c2)CC1 ZINC000028087207 563055516 /nfs/dbraw/zinc/05/55/16/563055516.db2.gz LOITXWAIWLBDGR-UHFFFAOYSA-N 3 2 482.632 5.486 1 0 JKAFLP CC[N@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCC1CCCCC1 ZINC000028135012 563057485 /nfs/dbraw/zinc/05/74/85/563057485.db2.gz KKWSXAKXLQLJIX-UHFFFAOYSA-N 3 2 475.765 6.555 1 0 JKAFLP CC[N@@H+](CCC[NH2+]C1CC[NH+](CC(c2ccccc2)c2ccccc2)CC1)CCC1CCCCC1 ZINC000028135012 563057486 /nfs/dbraw/zinc/05/74/86/563057486.db2.gz KKWSXAKXLQLJIX-UHFFFAOYSA-N 3 2 475.765 6.555 1 0 JKAFLP CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1 ZINC000028564717 563069191 /nfs/dbraw/zinc/06/91/91/563069191.db2.gz GLHVIBUSWVRMQL-CLJLJLNGSA-N 2 2 481.478 5.539 1 0 JKAFLP CC(C)(Cc1ccc2ccccc2c1)[NH2+]C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cccc(Br)c1 ZINC000028564717 563069193 /nfs/dbraw/zinc/06/91/93/563069193.db2.gz GLHVIBUSWVRMQL-CLJLJLNGSA-N 2 2 481.478 5.539 1 0 JKAFLP Cc1ccc([C@@H](CN2CC[NH+](CCCCc3cccc4ccccc43)CC2)[NH+]2CCN(C)CC2)cc1 ZINC000028646219 563073310 /nfs/dbraw/zinc/07/33/10/563073310.db2.gz XZBKLRRYJOUOQG-JGCGQSQUSA-N 2 2 484.732 5.077 1 0 JKAFLP Cc1ccc2[nH+]c(-c3ccc(OCCC[NH+]4CCN(c5cccc(Cl)c5Cl)CC4)cc3)cn2c1 ZINC000028711418 563076477 /nfs/dbraw/zinc/07/64/77/563076477.db2.gz LBPUETWJEXSMTI-UHFFFAOYSA-N 2 2 495.454 6.208 1 0 JKAFLP CCCC[NH2+][C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]([NH2+]CCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765083 563078597 /nfs/dbraw/zinc/07/85/97/563078597.db2.gz UXKYQZRABDQNHH-VXKWHMMOSA-N 2 2 462.292 7.862 1 0 JKAFLP CCCC[NH2+][C@H](c1ccc(Cl)c(Cl)c1)[C@H]([NH2+]CCCC)c1ccc(Cl)c(Cl)c1 ZINC000028765085 563078625 /nfs/dbraw/zinc/07/86/25/563078625.db2.gz UXKYQZRABDQNHH-FGZHOGPDSA-N 2 2 462.292 7.862 1 0 JKAFLP Cc1c[nH+]ccc1/C=C/[C@H](C)[C@H]1CC[C@@H]2[C@]1(C)CCC1=CC3=CC[C@@H]([NH+](C)C)C[C@]34CC[C@@]12O4 ZINC000028872536 563084196 /nfs/dbraw/zinc/08/41/96/563084196.db2.gz DWEARRASECQSHP-KCOTYOCKSA-N 2 2 458.690 6.744 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+](C)CCc1ccccn1 ZINC000028903851 563086445 /nfs/dbraw/zinc/08/64/45/563086445.db2.gz IRWPFZHJKZQNRC-UHFFFAOYSA-N 2 2 458.997 5.321 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+](C)CCc1ccccn1 ZINC000028903851 563086447 /nfs/dbraw/zinc/08/64/47/563086447.db2.gz IRWPFZHJKZQNRC-UHFFFAOYSA-N 2 2 458.997 5.321 1 0 JKAFLP CC[N@H+](CCc1ccccc1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903760 563086520 /nfs/dbraw/zinc/08/65/20/563086520.db2.gz ORVCRMXDRRMSFI-UHFFFAOYSA-N 2 2 472.036 6.316 1 0 JKAFLP CC[N@@H+](CCc1ccccc1)Cc1c(C)[nH+]c2n1c1cccnc1n2-c1c(C)cc(C)cc1Cl ZINC000028903760 563086521 /nfs/dbraw/zinc/08/65/21/563086521.db2.gz ORVCRMXDRRMSFI-UHFFFAOYSA-N 2 2 472.036 6.316 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000028903786 563086555 /nfs/dbraw/zinc/08/65/55/563086555.db2.gz RXVZIOKWBWYSOH-QHCPKHFHSA-N 2 2 484.047 6.459 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000028903786 563086556 /nfs/dbraw/zinc/08/65/56/563086556.db2.gz RXVZIOKWBWYSOH-QHCPKHFHSA-N 2 2 484.047 6.459 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000028903800 563086568 /nfs/dbraw/zinc/08/65/68/563086568.db2.gz UHFPWYDXZYELGS-QHCPKHFHSA-N 2 2 484.047 6.316 1 0 JKAFLP Cc1[nH+]c2n(c3cccnc3n2-c2c(C)cc(C)cc2Cl)c1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000028903800 563086569 /nfs/dbraw/zinc/08/65/69/563086569.db2.gz UHFPWYDXZYELGS-QHCPKHFHSA-N 2 2 484.047 6.316 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(NC2CCC2)[nH+]1 ZINC000029038789 563090930 /nfs/dbraw/zinc/09/09/30/563090930.db2.gz OOZJYAWKIAXYAP-UHFFFAOYSA-N 2 2 483.749 5.921 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCC2)nc(NC23CC4CC(CC(C4)C2)C3)[nH+]1 ZINC000029038789 563090931 /nfs/dbraw/zinc/09/09/31/563090931.db2.gz OOZJYAWKIAXYAP-UHFFFAOYSA-N 2 2 483.749 5.921 1 0 JKAFLP CCCC[NH+](CCCC)CCCNc1nc(NC2CCC2)[nH+]c(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000029038789 563090933 /nfs/dbraw/zinc/09/09/33/563090933.db2.gz OOZJYAWKIAXYAP-UHFFFAOYSA-N 2 2 483.749 5.921 1 0 JKAFLP Clc1ccc2c(NCCC[NH2+]CCCNc3cc[nH+]c4cc(Cl)ccc34)cc[nH+]c2c1 ZINC000029394236 563101950 /nfs/dbraw/zinc/10/19/50/563101950.db2.gz HROACHSLAKGFBN-UHFFFAOYSA-N 3 2 454.405 5.984 1 0 JKAFLP Clc1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000029401703 563102620 /nfs/dbraw/zinc/10/26/20/563102620.db2.gz OUOLBGQZIPWNBE-UHFFFAOYSA-N 3 2 452.389 5.006 1 0 JKAFLP O=C(CCC[NH+]1CCC(Nc2[nH+]c3ccccc3n2Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000029554491 563106587 /nfs/dbraw/zinc/10/65/87/563106587.db2.gz VUIYAEMBKPDJIU-UHFFFAOYSA-N 2 2 470.592 5.763 1 0 JKAFLP COc1ccc(CC[NH+]2CCC(Nc3[nH+]c4ccccc4n3Cc3ccccc3)CC2)cc1OC ZINC000029558074 563106843 /nfs/dbraw/zinc/10/68/43/563106843.db2.gz WJBNFOHHROQQJC-UHFFFAOYSA-N 2 2 470.617 5.221 1 0 JKAFLP Brc1ccc(Cn2c3ccccc3[nH+]c2NC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000029566712 563107477 /nfs/dbraw/zinc/10/74/77/563107477.db2.gz WCOBFGJLRUNGSJ-UHFFFAOYSA-N 2 2 489.461 5.966 1 0 JKAFLP CC(=O)O[C@H]1[C@H](n2cc[nH+]c2)C[C@H]2[C@@H]3CC=C4C[C@H]([NH+]5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000031872206 563108843 /nfs/dbraw/zinc/10/88/43/563108843.db2.gz KZPNCXIHDYJAKC-JSUBHTINSA-N 2 2 451.655 5.393 1 0 JKAFLP C[NH+](C)CCC[NH+](CCCN1c2ccccc2Sc2ccc(Cl)cc21)CCC[NH+](C)C ZINC000034074155 563112005 /nfs/dbraw/zinc/11/20/05/563112005.db2.gz CMFXCVWHDLLJSX-UHFFFAOYSA-N 3 2 461.119 5.538 1 0 JKAFLP CC(C)(C)c1ccc(-c2[nH]c3c(cccc3N3CC[NH+](Cc4ccc5ncccc5c4)CC3)[nH+]2)cc1 ZINC000034637603 563114233 /nfs/dbraw/zinc/11/42/33/563114233.db2.gz IEJOVNUMBFLFRJ-UHFFFAOYSA-N 2 2 475.640 6.398 1 0 JKAFLP Fc1ccc(Cn2c3ccccc3[nH+]c2N2CCC(Nc3cc[nH+]c4cc(Cl)ccc34)CC2)cc1 ZINC000040407787 563140348 /nfs/dbraw/zinc/14/03/48/563140348.db2.gz QYGGBULTGHWDRB-UHFFFAOYSA-N 2 2 485.994 6.506 1 0 JKAFLP O=C(C[NH+]1CCCCC1)O[C@@H]1CC2([NH+]3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 ZINC000040776052 563148525 /nfs/dbraw/zinc/14/85/25/563148525.db2.gz KAQFUUDXCRYXOL-GJTYJFQVSA-N 2 2 486.700 5.990 1 0 JKAFLP CCc1nc(C)c(C[NH+]2CCN(c3cccc4[nH+]c(-c5ccc(C(C)(C)C)cc5)[nH]c43)CC2)s1 ZINC000040952618 563159911 /nfs/dbraw/zinc/15/99/11/563159911.db2.gz IUORVMGQLLUQHC-UHFFFAOYSA-N 2 2 473.690 6.177 1 0 JKAFLP c1[nH+]cn(Cc2ccc(-c3ccccc3)cc2)c1CNc1ccc([NH+]2CCCC2)c(-c2ccccc2)c1 ZINC000040955015 563160599 /nfs/dbraw/zinc/16/05/99/563160599.db2.gz OOHSBPMGWVDLQJ-UHFFFAOYSA-N 2 2 484.647 7.478 1 0 JKAFLP Clc1ccc([C@@H](Nc2cc[nH+]c3cc(Cl)ccc23)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000040976161 563162039 /nfs/dbraw/zinc/16/20/39/563162039.db2.gz ZWXLCYWHYPEZAU-MHZLTWQESA-N 2 2 478.423 6.575 1 0 JKAFLP Clc1ccc([C@H](Nc2cc[nH+]c3cc(Cl)ccc23)c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000040976163 563162074 /nfs/dbraw/zinc/16/20/74/563162074.db2.gz ZWXLCYWHYPEZAU-HHHXNRCGSA-N 2 2 478.423 6.575 1 0 JKAFLP Cc1cc(NC[C@@H]2CC[N@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)[nH+]1 ZINC000045192605 563176421 /nfs/dbraw/zinc/17/64/21/563176421.db2.gz KYIBBTJIIFUPAW-IBGZPJMESA-N 2 2 458.448 5.605 1 0 JKAFLP Cc1cc(NC[C@@H]2CC[N@@H+](CC3CCCCC3)C2)nc(Nc2ccc(Br)cc2)[nH+]1 ZINC000045192605 563176423 /nfs/dbraw/zinc/17/64/23/563176423.db2.gz KYIBBTJIIFUPAW-IBGZPJMESA-N 2 2 458.448 5.605 1 0 JKAFLP C[NH+](C)CCNCc1nc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)cs1 ZINC000045195560 563177626 /nfs/dbraw/zinc/17/76/26/563177626.db2.gz NTWRAXLZWRNEJP-UHFFFAOYSA-N 2 2 495.652 6.545 1 0 JKAFLP CN(C)CC[NH2+]Cc1nc(-c2ccc3c(Nc4ccc(Oc5ccccc5)cc4)cc[nH+]c3c2)cs1 ZINC000045195560 563177627 /nfs/dbraw/zinc/17/76/27/563177627.db2.gz NTWRAXLZWRNEJP-UHFFFAOYSA-N 2 2 495.652 6.545 1 0 JKAFLP c1cc(-c2ccc3c(Nc4ccc(Oc5ccccn5)cc4)cc[nH+]c3c2)oc1C[NH+]1CCOCC1 ZINC000045202068 563178579 /nfs/dbraw/zinc/17/85/79/563178579.db2.gz TYIBXEJTFDIGRT-UHFFFAOYSA-N 2 2 478.552 6.258 1 0 JKAFLP Cc1cc(-c2ccc(NC(=O)c3coc4ccc(N5C[C@H](C)[NH+](C)[C@@H](C)C5)cc34)cc2C)cc(C)[nH+]1 ZINC000045227136 563179936 /nfs/dbraw/zinc/17/99/36/563179936.db2.gz MBYXZTHDGYFIBC-VXKWHMMOSA-N 2 2 482.628 6.201 1 0 JKAFLP COc1ccc(-c2cccc(C[NH2+]C3CC[NH+](C[C@H]4Cn5c6c4c(F)ccc6ccc5=O)CC3)c2)cc1 ZINC000045302707 563186652 /nfs/dbraw/zinc/18/66/52/563186652.db2.gz QRMFMOWDZLQSJK-VWLOTQADSA-N 2 2 497.614 5.168 1 0 JKAFLP Cc1ccc2c(c1)[nH+]c(N(C)C)nc2NCc1ccc(NC(=O)C2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000045315880 563187419 /nfs/dbraw/zinc/18/74/19/563187419.db2.gz FXDXBYUZINJHRN-UHFFFAOYSA-N 2 2 498.631 5.060 1 0 JKAFLP O=S(=O)(Nc1cccc(CC[NH+]2CCC([NH+]3CCCCC3)CC2)c1)c1cccc2ccccc21 ZINC000045324022 563189029 /nfs/dbraw/zinc/18/90/29/563189029.db2.gz ZRXODRQUTSEWOQ-UHFFFAOYSA-N 2 2 477.674 5.133 1 0 JKAFLP C[N@@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccc(F)cc6[nH]5)c4)cc3)CC2)C1 ZINC000045324508 563189170 /nfs/dbraw/zinc/18/91/70/563189170.db2.gz WOYKSHGQBKORJV-DEOSSOPVSA-N 2 2 497.662 5.495 1 0 JKAFLP C[N@H+]1CCC[C@H](CN2CC[NH+](Cc3ccc(-c4cccc(-c5nc6ccc(F)cc6[nH]5)c4)cc3)CC2)C1 ZINC000045324508 563189172 /nfs/dbraw/zinc/18/91/72/563189172.db2.gz WOYKSHGQBKORJV-DEOSSOPVSA-N 2 2 497.662 5.495 1 0 JKAFLP COc1cc2[nH+]c(N3CCC([NH+]4CCCC4)CC3)nc(NC3CCC(C(C)(C)C)CC3)c2cc1OC ZINC000045495490 563195574 /nfs/dbraw/zinc/19/55/74/563195574.db2.gz TWZKMUNWEGUVHY-UHFFFAOYSA-N 2 2 495.712 5.728 1 0 JKAFLP Nc1cc(Oc2ccc(Nc3cc[nH+]cc3C(=O)Nc3ccc(F)cc3F)cc2F)cc[nH+]1 ZINC000049089122 563201849 /nfs/dbraw/zinc/20/18/49/563201849.db2.gz IJHYURKJHDVSGK-UHFFFAOYSA-N 2 2 451.408 5.264 1 0 JKAFLP CCCC[NH+](CCCC)CC1(C[NH+](CCCC)CCCC)Oc2cc(OC)cc(OC)c2C1=O ZINC000053295363 563205645 /nfs/dbraw/zinc/20/56/45/563205645.db2.gz BHVNDWFZTGOYTN-UHFFFAOYSA-N 2 2 476.702 5.822 1 0 JKAFLP O=C(CCC[NH2+]Cc1ccccc1)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000058569221 563207491 /nfs/dbraw/zinc/20/74/91/563207491.db2.gz LPZQMTRVMZMOPU-NDEPHWFRSA-N 2 2 462.037 5.144 1 0 JKAFLP CCNc1cccc(C2CC[NH+](CCCNc3[nH+]c4ccccc4n3-c3ccc(F)cc3)CC2)c1 ZINC000058591896 563208195 /nfs/dbraw/zinc/20/81/95/563208195.db2.gz FMODLRJXIQQOLL-UHFFFAOYSA-N 2 2 471.624 6.278 1 0 JKAFLP