smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cnc(N2CCN(Cc3ccc(C[NH+]4CCN(c5ncccn5)CC4)cc3)CC2)nc1 ZINC000023700717 563027242 /nfs/dbraw/zinc/02/72/42/563027242.db2.gz IWBGVRXSFQLUJR-UHFFFAOYSA-N 1 1 430.560 1.911 20 0 IDADMO c1cnc(N2CCN(Cc3cccc(C[NH+]4CCN(c5ncccn5)CC4)c3)CC2)nc1 ZINC000026014310 563028479 /nfs/dbraw/zinc/02/84/79/563028479.db2.gz DKSGOJXSQQIVPA-UHFFFAOYSA-N 1 1 430.560 1.911 20 0 IDADMO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164431782 718969966 /nfs/dbraw/zinc/96/99/66/718969966.db2.gz BIPYZYOFXRHTPY-MOPGFXCFSA-N 1 1 427.471 1.355 20 0 IDADMO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(c1ccc(N3CCN(C)CC3)nn1)C2 ZINC001164614785 719006916 /nfs/dbraw/zinc/00/69/16/719006916.db2.gz GMUWZURDZWNOAO-WZONZLPQSA-N 1 1 428.581 1.378 20 0 IDADMO CS(=O)(=O)c1nc2c(c(N3CCC[C@@H]4CN(Cc5ccccc5)C[C@H]43)n1)CC[NH2+]CC2 ZINC001164626483 719053224 /nfs/dbraw/zinc/05/32/24/719053224.db2.gz RQZICHDAYVSVOK-WIYYLYMNSA-N 1 1 441.601 1.669 20 0 IDADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164632803 719269463 /nfs/dbraw/zinc/26/94/63/719269463.db2.gz CURHZVKLOKRPIJ-UHFFFAOYSA-N 1 1 441.532 1.566 20 0 IDADMO CCOC(=O)c1nc2ccccc2c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164632803 719269466 /nfs/dbraw/zinc/26/94/66/719269466.db2.gz CURHZVKLOKRPIJ-UHFFFAOYSA-N 1 1 441.532 1.566 20 0 IDADMO CC(C)n1nc(CN(C)C)c2c1CN(c1nc3c(c(N4CCOCC4)n1)C[NH2+]C3)CC2 ZINC001164653784 719314471 /nfs/dbraw/zinc/31/44/71/719314471.db2.gz ZLVLEEWKURMGGN-UHFFFAOYSA-N 1 1 426.569 1.318 20 0 IDADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(C(=O)NC3CCOCC3)nn1)CC2 ZINC001164653601 719316317 /nfs/dbraw/zinc/31/63/17/719316317.db2.gz XLUQHXWTEVOZCI-UHFFFAOYSA-N 1 1 427.553 1.787 20 0 IDADMO CCOC(=O)[C@@H]1CCCN(c2ccc(N3CCC4(CCC[N@H+]4CC(=O)NC)CC3)nn2)C1 ZINC001164689337 719741199 /nfs/dbraw/zinc/74/11/99/719741199.db2.gz BMUUNLJCBXEFAC-GOSISDBHSA-N 1 1 444.580 1.437 20 0 IDADMO CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCN(c4ccccc4)CC3)ncn1)CC2 ZINC001164690052 719748908 /nfs/dbraw/zinc/74/89/08/719748908.db2.gz RHYZFTUOBOCSAY-UHFFFAOYSA-N 1 1 449.603 1.984 20 0 IDADMO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)c(OC)cc21 ZINC001164706546 719844866 /nfs/dbraw/zinc/84/48/66/719844866.db2.gz XOMIQBRIDJVAOP-NYHFZMIOSA-N 1 1 430.505 1.880 20 0 IDADMO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1ncnc2cc(OC)cc(OC)c21 ZINC001164701458 719857339 /nfs/dbraw/zinc/85/73/39/719857339.db2.gz KQROXHDYPVOMIR-IVZQSRNASA-N 1 1 430.505 1.880 20 0 IDADMO C[NH+]1CCC(Oc2ccnc(N3C[C@@H]4COC[C@@H](C(=O)Nc5cnccn5)[C@H]4C3)c2)CC1 ZINC001164697706 719885041 /nfs/dbraw/zinc/88/50/41/719885041.db2.gz DCYFSTWEKFHTRZ-LSTHTHJFSA-N 1 1 438.532 1.682 20 0 IDADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)C2 ZINC001164808053 720095857 /nfs/dbraw/zinc/09/58/57/720095857.db2.gz HHXJQNIHHYBVQA-WZONZLPQSA-N 1 1 441.580 1.385 20 0 IDADMO CNS(=O)(=O)c1ccc(N2CCC3(C[C@@H](COC)[N@@H+](Cc4ccccn4)C3)CC2)nc1 ZINC001164713535 720140246 /nfs/dbraw/zinc/14/02/46/720140246.db2.gz RMERCVZVQNTRSJ-IBGZPJMESA-N 1 1 445.589 1.892 20 0 IDADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(S(N)(=O)=O)cc1F)CC2 ZINC001164712310 720156260 /nfs/dbraw/zinc/15/62/60/720156260.db2.gz FMUPHZNESVKELU-QGZVFWFLSA-N 1 1 449.552 1.771 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164818419 720160122 /nfs/dbraw/zinc/16/01/22/720160122.db2.gz SQYJZGYTAWTEPJ-AHISDQSPSA-N 1 1 436.578 1.575 20 0 IDADMO Cc1cc(N2CCCC2)nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)n1 ZINC001164711449 720163529 /nfs/dbraw/zinc/16/35/29/720163529.db2.gz BYGZQAGQCHOKRB-IBGZPJMESA-N 1 1 426.569 1.730 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(NC(=O)OC(C)(C)C)ncn3)C2)C1 ZINC001164719770 720224465 /nfs/dbraw/zinc/22/44/65/720224465.db2.gz UBNLUUOURYYDPP-NRFANRHFSA-N 1 1 434.541 1.488 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(NC(=O)OC(C)(C)C)ncn3)C2)C1 ZINC001164719770 720224468 /nfs/dbraw/zinc/22/44/68/720224468.db2.gz UBNLUUOURYYDPP-NRFANRHFSA-N 1 1 434.541 1.488 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cncc(OCc4ccccc4)n3)C2)C1 ZINC001164718444 720225965 /nfs/dbraw/zinc/22/59/65/720225965.db2.gz MAXZIDSUWJVKPY-HSZRJFAPSA-N 1 1 425.533 1.720 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cncc(OCc4ccccc4)n3)C2)C1 ZINC001164718444 720225971 /nfs/dbraw/zinc/22/59/71/720225971.db2.gz MAXZIDSUWJVKPY-HSZRJFAPSA-N 1 1 425.533 1.720 20 0 IDADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)c(F)c3c1C(=O)NC3)CCC2 ZINC001164813950 720227490 /nfs/dbraw/zinc/22/74/90/720227490.db2.gz PUKBWUWQOKUKAB-UHFFFAOYSA-N 1 1 434.903 1.925 20 0 IDADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(N3CCSCC3)ncn1)CCC2 ZINC001164812115 720242625 /nfs/dbraw/zinc/24/26/25/720242625.db2.gz BKDDGNFLFJQVOQ-UHFFFAOYSA-N 1 1 429.594 1.837 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4cc(OC)c(OC)cc43)C2)C1 ZINC001164719814 720251788 /nfs/dbraw/zinc/25/17/88/720251788.db2.gz PDYBHLCNSRXVHC-QHCPKHFHSA-N 1 1 443.548 1.620 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)nc4cc(OC)c(OC)cc43)C2)C1 ZINC001164719814 720251792 /nfs/dbraw/zinc/25/17/92/720251792.db2.gz PDYBHLCNSRXVHC-QHCPKHFHSA-N 1 1 443.548 1.620 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)N(C)OC)cc(Cl)n3)C2)C1 ZINC001164718311 720256013 /nfs/dbraw/zinc/25/60/13/720256013.db2.gz DJPOJYGWPKSNAN-HXUWFJFHSA-N 1 1 439.944 1.033 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C(=O)N(C)OC)cc(Cl)n3)C2)C1 ZINC001164718311 720256021 /nfs/dbraw/zinc/25/60/21/720256021.db2.gz DJPOJYGWPKSNAN-HXUWFJFHSA-N 1 1 439.944 1.033 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(OC)c(OC)cc4n3)C2)C1 ZINC001164720443 720262046 /nfs/dbraw/zinc/26/20/46/720262046.db2.gz VZJPTRLAFWWINP-QHCPKHFHSA-N 1 1 428.533 1.917 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4cc(OC)c(OC)cc4n3)C2)C1 ZINC001164720443 720262050 /nfs/dbraw/zinc/26/20/50/720262050.db2.gz VZJPTRLAFWWINP-QHCPKHFHSA-N 1 1 428.533 1.917 20 0 IDADMO CCOC(=O)c1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@H+](CC(=O)NC)C4)c2s1 ZINC001164720795 720268143 /nfs/dbraw/zinc/26/81/43/720268143.db2.gz DXBNHTPSGQQKLR-OAQYLSRUSA-N 1 1 447.561 1.533 20 0 IDADMO CCOC(=O)c1cc2ncnc(N3CCC[C@@]4(C3)COCC[N@@H+](CC(=O)NC)C4)c2s1 ZINC001164720795 720268156 /nfs/dbraw/zinc/26/81/56/720268156.db2.gz DXBNHTPSGQQKLR-OAQYLSRUSA-N 1 1 447.561 1.533 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nc(C5CC5)no4)ccn3)C2)C1 ZINC001164725922 720303230 /nfs/dbraw/zinc/30/32/30/720303230.db2.gz XEDXGORAFGNBBM-QFIPXVFZSA-N 1 1 426.521 1.674 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-c4nc(C5CC5)no4)ccn3)C2)C1 ZINC001164725922 720303237 /nfs/dbraw/zinc/30/32/37/720303237.db2.gz XEDXGORAFGNBBM-QFIPXVFZSA-N 1 1 426.521 1.674 20 0 IDADMO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncnc3[nH]cc(S(C)(=O)=O)c32)CC1 ZINC001164822645 720309226 /nfs/dbraw/zinc/30/92/26/720309226.db2.gz NWCGHWBLYCYMCR-CVEARBPZSA-N 1 1 446.577 1.273 20 0 IDADMO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ncnc3[nH]cc(S(C)(=O)=O)c32)CC1 ZINC001164822647 720309605 /nfs/dbraw/zinc/30/96/05/720309605.db2.gz NWCGHWBLYCYMCR-HZPDHXFCSA-N 1 1 446.577 1.273 20 0 IDADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164834381 720325245 /nfs/dbraw/zinc/32/52/45/720325245.db2.gz ZSFQUFQBTXNJDX-DLBZAZTESA-N 1 1 426.521 1.656 20 0 IDADMO COc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc(N2CCn3ccnc3C2)n1 ZINC001164732398 720470918 /nfs/dbraw/zinc/47/09/18/720470918.db2.gz ZVVJHMCNQCLFQX-ZWKOTPCHSA-N 1 1 433.520 1.345 20 0 IDADMO C[NH+]1CCN(c2nccc(N3CC[C@H]4[C@@H](CC(=O)N5CCCCC5)OC[C@H]4C3)n2)CC1 ZINC001164838485 720503429 /nfs/dbraw/zinc/50/34/29/720503429.db2.gz RMKPKGWSHYJVFA-VAMGGRTRSA-N 1 1 428.581 1.472 20 0 IDADMO CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1 ZINC001164841124 720602186 /nfs/dbraw/zinc/60/21/86/720602186.db2.gz RCHVUILSQPGXSV-WSTZPKSXSA-N 1 1 432.594 1.954 20 0 IDADMO c1ccc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741981 720691607 /nfs/dbraw/zinc/69/16/07/720691607.db2.gz UWVJYQXDSYHWTI-ZWKOTPCHSA-N 1 1 433.516 1.598 20 0 IDADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)C1=O ZINC001164744620 720747067 /nfs/dbraw/zinc/74/70/67/720747067.db2.gz RRKHVSXRSOHYQQ-KBPBESRZSA-N 1 1 429.912 1.626 20 0 IDADMO c1ncc(O[C@H]2C[C@H]3CN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC[N@H+]3C2)cn1 ZINC001164746805 720755695 /nfs/dbraw/zinc/75/56/95/720755695.db2.gz YOALODCUIAAUSW-ROUUACIJSA-N 1 1 437.552 1.204 20 0 IDADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1)N1CCCCC1 ZINC001164742883 720762870 /nfs/dbraw/zinc/76/28/70/720762870.db2.gz OYJUQFOSTZFAEN-ZWKOTPCHSA-N 1 1 444.561 1.388 20 0 IDADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164739479 720769829 /nfs/dbraw/zinc/76/98/29/720769829.db2.gz IVBJRFUHZKGTRS-ZWKOTPCHSA-N 1 1 446.577 1.680 20 0 IDADMO CC1(C)NC(=O)N(Cc2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2)C1=O ZINC001164738310 720771045 /nfs/dbraw/zinc/77/10/45/720771045.db2.gz FTQPCMQKUQHJCR-IRXDYDNUSA-N 1 1 437.504 1.044 20 0 IDADMO CN(C)c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164745526 720801687 /nfs/dbraw/zinc/80/16/87/720801687.db2.gz KTDSAWNEVXVXAR-CHWSQXEVSA-N 1 1 425.871 1.873 20 0 IDADMO CN(C)c1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(Cl)n1 ZINC001164745526 720801689 /nfs/dbraw/zinc/80/16/89/720801689.db2.gz KTDSAWNEVXVXAR-CHWSQXEVSA-N 1 1 425.871 1.873 20 0 IDADMO CN1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747659 720812759 /nfs/dbraw/zinc/81/27/59/720812759.db2.gz OUPLCJBSBFNXQN-PWRODBHTSA-N 1 1 437.596 1.199 20 0 IDADMO CN1CCN(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747659 720812760 /nfs/dbraw/zinc/81/27/60/720812760.db2.gz OUPLCJBSBFNXQN-PWRODBHTSA-N 1 1 437.596 1.199 20 0 IDADMO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746890 720820137 /nfs/dbraw/zinc/82/01/37/720820137.db2.gz ZKRQJWLPKGVLHI-NLWGTHIKSA-N 1 1 425.537 1.933 20 0 IDADMO CCOC(=O)c1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746896 720820360 /nfs/dbraw/zinc/82/03/60/720820360.db2.gz ZKRQJWLPKGVLHI-WSTZPKSXSA-N 1 1 425.537 1.933 20 0 IDADMO COC(=O)c1cc(OC)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743843 720820986 /nfs/dbraw/zinc/82/09/86/720820986.db2.gz SVPVTGMBFRCKIA-ABSDTBQOSA-N 1 1 426.521 1.848 20 0 IDADMO CCOC(=O)c1cnc(OC)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737684 720825546 /nfs/dbraw/zinc/82/55/46/720825546.db2.gz BYJMHOMJXUZCGH-ZHALLVOQSA-N 1 1 441.536 1.633 20 0 IDADMO CCOC(=O)c1cnc(OC)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164737682 720825775 /nfs/dbraw/zinc/82/57/75/720825775.db2.gz BYJMHOMJXUZCGH-JENIJYKNSA-N 1 1 441.536 1.633 20 0 IDADMO C[C@@H]1C(=O)Nc2cnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2N1C ZINC001164737947 720830862 /nfs/dbraw/zinc/83/08/62/720830862.db2.gz CMYSKTBYVWVFSR-VYCZESIESA-N 1 1 437.552 1.224 20 0 IDADMO O=C1NCc2c1cc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164750426 720836023 /nfs/dbraw/zinc/83/60/23/720836023.db2.gz XOCAQTBLPBEUAG-HDMKZQKVSA-N 1 1 427.940 1.949 20 0 IDADMO CON(C)C(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748724 720840323 /nfs/dbraw/zinc/84/03/23/720840323.db2.gz UQZRXDNZVZDYBU-WSTZPKSXSA-N 1 1 425.537 1.686 20 0 IDADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748221 720841077 /nfs/dbraw/zinc/84/10/77/720841077.db2.gz SJXJIXJIGSCGGT-SFHLNBCPSA-N 1 1 439.564 1.994 20 0 IDADMO COC(OC)c1c(CO)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743021 720841270 /nfs/dbraw/zinc/84/12/70/720841270.db2.gz IDDKMYGFDFDGNB-XUVXKRRUSA-N 1 1 442.564 1.836 20 0 IDADMO COC(OC)c1c(CO)ccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743019 720841289 /nfs/dbraw/zinc/84/12/89/720841289.db2.gz IDDKMYGFDFDGNB-VAMGGRTRSA-N 1 1 442.564 1.836 20 0 IDADMO COCCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164753580 720856545 /nfs/dbraw/zinc/85/65/45/720856545.db2.gz YEUPWMPOGUKVDE-NJDAHSKKSA-N 1 1 440.548 1.856 20 0 IDADMO COC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1OC ZINC001164744544 720861277 /nfs/dbraw/zinc/86/12/77/720861277.db2.gz BSSUAEULPCHCLO-GVDBMIGSSA-N 1 1 427.509 1.243 20 0 IDADMO COCC[N@H+]1CCO[C@H]2CN(c3nccnc3N3CCC(C(=O)OC)CC3)CC[C@@H]2C1 ZINC001164852355 720864932 /nfs/dbraw/zinc/86/49/32/720864932.db2.gz CLXMGQMHSLWTRI-MOPGFXCFSA-N 1 1 433.553 1.040 20 0 IDADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3cc(C(=O)OC)n4C)CC[C@@H]2C1 ZINC001164857437 720871771 /nfs/dbraw/zinc/87/17/71/720871771.db2.gz JOQZJFNVFFSYRB-CJNGLKHVSA-N 1 1 437.928 1.582 20 0 IDADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc1 ZINC001164859894 720875908 /nfs/dbraw/zinc/87/59/08/720875908.db2.gz MZPKTERPNSLLCY-IEBWSBKVSA-N 1 1 426.583 1.286 20 0 IDADMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)CC[C@@H]2C1 ZINC001164865255 720878361 /nfs/dbraw/zinc/87/83/61/720878361.db2.gz ZEKBQKSGVIVTOV-QZTJIDSGSA-N 1 1 431.537 1.086 20 0 IDADMO COCC[N@H+]1CCO[C@H]2CN(c3ccc(CN4C(=O)NC(C)(C)C4=O)cn3)CC[C@H]2C1 ZINC001164865256 720878506 /nfs/dbraw/zinc/87/85/06/720878506.db2.gz ZEKBQKSGVIVTOV-ROUUACIJSA-N 1 1 431.537 1.086 20 0 IDADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4CO[C@H](CNC(=O)c5ccno5)[C@@H]4C3)c2)CC1 ZINC001164857628 720913446 /nfs/dbraw/zinc/91/34/46/720913446.db2.gz MAKMBRQMZVLPSY-OZOXKJRCSA-N 1 1 441.532 1.814 20 0 IDADMO CNC(=O)c1ccc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nn1 ZINC001164747203 720922654 /nfs/dbraw/zinc/92/26/54/720922654.db2.gz CCPJFDDLCGTVTH-GBXCKJPGSA-N 1 1 436.560 1.986 20 0 IDADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncccc1S(=O)(=O)N1CCOCC1)[C@H]2C ZINC001164864203 720980538 /nfs/dbraw/zinc/98/05/38/720980538.db2.gz ZMDIXUNMQCWOJX-KRWDZBQOSA-N 1 1 448.593 1.720 20 0 IDADMO O=S(=O)(c1cccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1)N1CCCC1 ZINC001164867721 721114829 /nfs/dbraw/zinc/11/48/29/721114829.db2.gz ZTDDTNYZVKMVCB-PMACEKPBSA-N 1 1 443.573 1.741 20 0 IDADMO CC(C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164872574 721143228 /nfs/dbraw/zinc/14/32/28/721143228.db2.gz HQONAOFCUJJXFA-RTBURBONSA-N 1 1 431.562 1.643 20 0 IDADMO COC(=O)C1CCN(c2nccnc2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)CC1 ZINC001164772899 721164358 /nfs/dbraw/zinc/16/43/58/721164358.db2.gz VYBQHZDPRDLOHP-VQTJNVASSA-N 1 1 439.564 1.558 20 0 IDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(CN5C(=O)NC(C)(C)C5=O)cn4)C[C@H]3C2)cn1 ZINC001164771504 721207973 /nfs/dbraw/zinc/20/79/73/721207973.db2.gz QRCPZRINAYZJNM-RBUKOAKNSA-N 1 1 437.548 1.604 20 0 IDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(C(=O)NC5CCOCC5)nn4)C[C@H]3C2)cn1 ZINC001164769285 721221689 /nfs/dbraw/zinc/22/16/89/721221689.db2.gz LXJLGQMBWMXLSC-ZWKOTPCHSA-N 1 1 425.537 1.077 20 0 IDADMO CCOC(=O)/C=C\c1cccnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164874097 721262560 /nfs/dbraw/zinc/26/25/60/721262560.db2.gz IZCCPIFFWSVGNG-FPLPWBNLSA-N 1 1 430.549 1.665 20 0 IDADMO COCCn1ccc2c1ncnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164875643 721276215 /nfs/dbraw/zinc/27/62/15/721276215.db2.gz YITUSHKWSUQORQ-UHFFFAOYSA-N 1 1 430.553 1.085 20 0 IDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc(C(=O)OC(C)(C)C)n3)CC2)C1 ZINC001164873541 721277508 /nfs/dbraw/zinc/27/75/08/721277508.db2.gz OCPORXOZUBQXEP-UHFFFAOYSA-N 1 1 433.553 1.439 20 0 IDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)COc3cncc(Cl)n3)CC2)C1 ZINC001164878615 721286317 /nfs/dbraw/zinc/28/63/17/721286317.db2.gz RODHUQGDOOKAAD-UHFFFAOYSA-N 1 1 447.914 1.604 20 0 IDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)Oc3cnc(Cl)cn3)CC2)C1 ZINC001164878605 721292840 /nfs/dbraw/zinc/29/28/40/721292840.db2.gz RLLMOVVSKFYTGE-UHFFFAOYSA-N 1 1 433.887 1.562 20 0 IDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C(N)=O)C2)C1 ZINC001164779106 721340160 /nfs/dbraw/zinc/34/01/60/721340160.db2.gz QZIHZCGHMFRHQM-FQEVSTJZSA-N 1 1 434.928 1.953 20 0 IDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C(N)=O)C2)C1 ZINC001164779106 721340166 /nfs/dbraw/zinc/34/01/66/721340166.db2.gz QZIHZCGHMFRHQM-FQEVSTJZSA-N 1 1 434.928 1.953 20 0 IDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc(S(N)(=O)=O)cn3)C2)C1 ZINC001164776669 721346229 /nfs/dbraw/zinc/34/62/29/721346229.db2.gz BZMZWHDARBTCPV-HXUWFJFHSA-N 1 1 435.550 1.453 20 0 IDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc(S(N)(=O)=O)cn3)C2)C1 ZINC001164776669 721346234 /nfs/dbraw/zinc/34/62/34/721346234.db2.gz BZMZWHDARBTCPV-HXUWFJFHSA-N 1 1 435.550 1.453 20 0 IDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)cc4c3C(=O)NC4=O)C2)C1 ZINC001164783891 721364336 /nfs/dbraw/zinc/36/43/36/721364336.db2.gz PXHAJYGTHPFGHU-HSZRJFAPSA-N 1 1 439.516 1.997 20 0 IDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)cc4c3C(=O)NC4=O)C2)C1 ZINC001164783891 721364339 /nfs/dbraw/zinc/36/43/39/721364339.db2.gz PXHAJYGTHPFGHU-HSZRJFAPSA-N 1 1 439.516 1.997 20 0 IDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(CN5CCOCC5)cn4)C3)O2)CC1 ZINC001164888524 721386499 /nfs/dbraw/zinc/38/64/99/721386499.db2.gz JWYKZACWNWHLRU-LADGPHEKSA-N 1 1 429.609 1.679 20 0 IDADMO COC(=O)C1CCN(c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nn2)CC1 ZINC001164782503 721417159 /nfs/dbraw/zinc/41/71/59/721417159.db2.gz GOOKSPHHIOJWRM-IRXDYDNUSA-N 1 1 428.562 1.891 20 0 IDADMO COC(=O)C1CCN(c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nn2)CC1 ZINC001164782494 721417239 /nfs/dbraw/zinc/41/72/39/721417239.db2.gz GOOKSPHHIOJWRM-CALCHBBNSA-N 1 1 428.562 1.891 20 0 IDADMO COC(=O)C1CCN(c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nn2)CC1 ZINC001164782494 721417241 /nfs/dbraw/zinc/41/72/41/721417241.db2.gz GOOKSPHHIOJWRM-CALCHBBNSA-N 1 1 428.562 1.891 20 0 IDADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001164898441 721427058 /nfs/dbraw/zinc/42/70/58/721427058.db2.gz VYZQVIHJYSWEAL-XXBNENTESA-N 1 1 431.581 1.789 20 0 IDADMO CN1CCOc2c(Cl)nnc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164896045 721429110 /nfs/dbraw/zinc/42/91/10/721429110.db2.gz QJDIZKPMDHCOHG-IIBYNOLFSA-N 1 1 436.988 1.724 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(S(=O)(=O)NC5CC5)cn4)C3)O2)CC1 ZINC001164898000 721436361 /nfs/dbraw/zinc/43/63/61/721436361.db2.gz VKNYITHHHDRFSL-DENIHFKCSA-N 1 1 449.621 1.288 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(S(=O)(=O)NC5CC5)cn4)C3)O2)CC1 ZINC001164898002 721436515 /nfs/dbraw/zinc/43/65/15/721436515.db2.gz VKNYITHHHDRFSL-KNQAVFIVSA-N 1 1 449.621 1.288 20 0 IDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C(=O)NC5CCCC5)nn4)C3)O2)CC1 ZINC001164899331 721441927 /nfs/dbraw/zinc/44/19/27/721441927.db2.gz YGYQJSONFFSLPF-RDPSFJRHSA-N 1 1 442.608 1.914 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164899936 721443437 /nfs/dbraw/zinc/44/34/37/721443437.db2.gz ZOYPDYQMQDLERR-BEFAXECRSA-N 1 1 444.001 1.148 20 0 IDADMO CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896663 721444274 /nfs/dbraw/zinc/44/42/74/721444274.db2.gz RSMBFANVZMCAFE-URXFXBBRSA-N 1 1 444.624 1.620 20 0 IDADMO COCCOC(=O)c1ccnc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164894347 721446324 /nfs/dbraw/zinc/44/63/24/721446324.db2.gz LUQQIUKWQVLQBH-NZQKXSOJSA-N 1 1 432.565 1.650 20 0 IDADMO COCCOC(=O)c1ccnc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1 ZINC001164894356 721446471 /nfs/dbraw/zinc/44/64/71/721446471.db2.gz LUQQIUKWQVLQBH-REWPJTCUSA-N 1 1 432.565 1.650 20 0 IDADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@H](CC(=O)N5CCC(F)CC5)[C@H]4C3)n2)CC1 ZINC001164892722 721479308 /nfs/dbraw/zinc/47/93/08/721479308.db2.gz HNRIPORWIGCQLP-NLWGTHIKSA-N 1 1 446.571 1.278 20 0 IDADMO Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164898833 721521077 /nfs/dbraw/zinc/52/10/77/721521077.db2.gz JNHSWFKONSVOEQ-DOTOQJQBSA-N 1 1 434.903 1.843 20 0 IDADMO COC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1C(=O)OC ZINC001164810688 721533695 /nfs/dbraw/zinc/53/36/95/721533695.db2.gz XVZGJOLVYVIZFW-WFXMLNOXSA-N 1 1 440.500 1.918 20 0 IDADMO COC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1C(=O)OC ZINC001164810688 721533700 /nfs/dbraw/zinc/53/37/00/721533700.db2.gz XVZGJOLVYVIZFW-WFXMLNOXSA-N 1 1 440.500 1.918 20 0 IDADMO COC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C(=O)OC ZINC001164810684 721534142 /nfs/dbraw/zinc/53/41/42/721534142.db2.gz XVZGJOLVYVIZFW-LQWHRVPQSA-N 1 1 440.500 1.918 20 0 IDADMO COC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc1C(=O)OC ZINC001164810684 721534146 /nfs/dbraw/zinc/53/41/46/721534146.db2.gz XVZGJOLVYVIZFW-LQWHRVPQSA-N 1 1 440.500 1.918 20 0 IDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(S(N)(=O)=O)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810677 721547820 /nfs/dbraw/zinc/54/78/20/721547820.db2.gz XTIQAQOLWBTJFF-KURKYZTESA-N 1 1 437.953 1.646 20 0 IDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(S(N)(=O)=O)cc2Cl)[C@@H]2CCCO[C@H]12 ZINC001164810677 721547825 /nfs/dbraw/zinc/54/78/25/721547825.db2.gz XTIQAQOLWBTJFF-KURKYZTESA-N 1 1 437.953 1.646 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164910439 721550930 /nfs/dbraw/zinc/55/09/30/721550930.db2.gz WVLKLLLUMISCFP-MVAFRSGCSA-N 1 1 448.520 1.872 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164910439 721550935 /nfs/dbraw/zinc/55/09/35/721550935.db2.gz WVLKLLLUMISCFP-MVAFRSGCSA-N 1 1 448.520 1.872 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164910436 721551121 /nfs/dbraw/zinc/55/11/21/721551121.db2.gz WVLKLLLUMISCFP-CKVARHJQSA-N 1 1 448.520 1.872 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164910436 721551126 /nfs/dbraw/zinc/55/11/26/721551126.db2.gz WVLKLLLUMISCFP-CKVARHJQSA-N 1 1 448.520 1.872 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164910444 721552092 /nfs/dbraw/zinc/55/20/92/721552092.db2.gz WVLKLLLUMISCFP-VFWVNOCMSA-N 1 1 448.520 1.872 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164910444 721552094 /nfs/dbraw/zinc/55/20/94/721552094.db2.gz WVLKLLLUMISCFP-VFWVNOCMSA-N 1 1 448.520 1.872 20 0 IDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)CCC3=O)cn2)[C@@H]2CCCO[C@@H]12 ZINC001164806779 721566188 /nfs/dbraw/zinc/56/61/88/721566188.db2.gz RRCBRQDGDVAXBQ-YOSAUDMPSA-N 1 1 435.528 1.994 20 0 IDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)NC3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164811317 721579297 /nfs/dbraw/zinc/57/92/97/721579297.db2.gz XJANNJCNPIFBHY-TUNNFDKTSA-N 1 1 443.573 1.786 20 0 IDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(S(=O)(=O)NC3CC3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164811317 721579301 /nfs/dbraw/zinc/57/93/01/721579301.db2.gz XJANNJCNPIFBHY-TUNNFDKTSA-N 1 1 443.573 1.786 20 0 IDADMO O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2ncnc3c2CC[N@H+](Cc2ccccc2)C3)O1)N1CCOCC1 ZINC001164803491 721595390 /nfs/dbraw/zinc/59/53/90/721595390.db2.gz WJGREIIEYPAMHB-ZLNRFVROSA-N 1 1 449.555 1.630 20 0 IDADMO O=C([C@@H]1C[C@@H]2[C@@H](CCN2c2ncnc3c2CC[N@@H+](Cc2ccccc2)C3)O1)N1CCOCC1 ZINC001164803491 721595392 /nfs/dbraw/zinc/59/53/92/721595392.db2.gz WJGREIIEYPAMHB-ZLNRFVROSA-N 1 1 449.555 1.630 20 0 IDADMO Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)CC2 ZINC001165014191 721766216 /nfs/dbraw/zinc/76/62/16/721766216.db2.gz DYWDEZKJYMQKMY-UHFFFAOYSA-N 1 1 434.548 1.599 20 0 IDADMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)c2)CC1 ZINC001165023762 721778051 /nfs/dbraw/zinc/77/80/51/721778051.db2.gz UWGWUWNUDVVQAM-QPPBQGQZSA-N 1 1 444.576 1.789 20 0 IDADMO 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ZINC001164887517 721338933 /nfs/dbraw/zinc/33/89/33/721338933.db2.gz VATGFQUMVTUPOA-YADARESESA-N 1 1 444.576 1.646 20 0 IDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C(N)=O)C2)C1 ZINC001164781481 721355983 /nfs/dbraw/zinc/35/59/83/721355983.db2.gz JLVXUOLNCHJRSE-HXUWFJFHSA-N 1 1 434.928 1.953 20 0 IDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C(N)=O)C2)C1 ZINC001164781481 721355986 /nfs/dbraw/zinc/35/59/86/721355986.db2.gz JLVXUOLNCHJRSE-HXUWFJFHSA-N 1 1 434.928 1.953 20 0 IDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C(=O)N5CCOCC5)cn4)C3)O2)CC1 ZINC001164889856 721384763 /nfs/dbraw/zinc/38/47/63/721384763.db2.gz MPYYLJHCWWJQMC-XUZZJYLKSA-N 1 1 443.592 1.319 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C(=O)N5CCOCC5)cn4)C3)O2)CC1 ZINC001164889859 721385308 /nfs/dbraw/zinc/38/53/08/721385308.db2.gz MPYYLJHCWWJQMC-ZJSXRUAMSA-N 1 1 443.592 1.319 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(F)cc4C(N)=O)C3)O2)CC1 ZINC001164894040 721396325 /nfs/dbraw/zinc/39/63/25/721396325.db2.gz WJSWGGKYBZRBJK-VLIAUNLRSA-N 1 1 425.936 1.738 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(F)cc4C(N)=O)C3)O2)CC1 ZINC001164894038 721396500 /nfs/dbraw/zinc/39/65/00/721396500.db2.gz WJSWGGKYBZRBJK-JLTOFOAXSA-N 1 1 425.936 1.738 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(F)c5c4C(=O)NC5)C3)O2)CC1 ZINC001164886216 721417402 /nfs/dbraw/zinc/41/74/02/721417402.db2.gz IDXZRWYQGXZGNV-SPLOXXLWSA-N 1 1 437.947 1.883 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4c(Cl)nc(Cl)nc4C(N)=O)C3)O2)CC1 ZINC001164885861 721418293 /nfs/dbraw/zinc/41/82/93/721418293.db2.gz HRLHUPIDCCKHEF-YJYMSZOUSA-N 1 1 443.379 1.648 20 0 IDADMO CCNS(=O)(=O)c1cccnc1N1CC[C@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164885132 721421987 /nfs/dbraw/zinc/42/19/87/721421987.db2.gz FVHIXEBQDXBPSD-RXVVDRJESA-N 1 1 437.610 1.145 20 0 IDADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@]2(C1)CCC[C@@H](CN1CC[NH+](C)CC1)O2 ZINC001164898438 721427130 /nfs/dbraw/zinc/42/71/30/721427130.db2.gz VYZQVIHJYSWEAL-WMZHIEFXSA-N 1 1 431.581 1.789 20 0 IDADMO CN1CCOc2c(Cl)nnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c21 ZINC001164896047 721429479 /nfs/dbraw/zinc/42/94/79/721429479.db2.gz QJDIZKPMDHCOHG-KKSFZXQISA-N 1 1 436.988 1.724 20 0 IDADMO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(OC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164890761 721436657 /nfs/dbraw/zinc/43/66/57/721436657.db2.gz FGBVHFHRHFJFCX-NZQKXSOJSA-N 1 1 430.597 1.373 20 0 IDADMO COC(=O)CSc1cncc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164892292 721440259 /nfs/dbraw/zinc/44/02/59/721440259.db2.gz IBKBNBULQDABGE-DYESRHJHSA-N 1 1 435.594 1.507 20 0 IDADMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164899941 721443433 /nfs/dbraw/zinc/44/34/33/721443433.db2.gz ZOYPDYQMQDLERR-HNAYVOBHSA-N 1 1 444.001 1.148 20 0 IDADMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)ccc4S(N)(=O)=O)C3)O2)CC1 ZINC001164899943 721443627 /nfs/dbraw/zinc/44/36/27/721443627.db2.gz ZOYPDYQMQDLERR-KXBFYZLASA-N 1 1 444.001 1.148 20 0 IDADMO CN1CCc2nc(Cl)nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2C1 ZINC001164892022 721447926 /nfs/dbraw/zinc/44/79/26/721447926.db2.gz VSDBSHNRHJNULZ-VGSWGCGISA-N 1 1 435.016 1.883 20 0 IDADMO CCNC(=O)c1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)n1 ZINC001164888411 721452510 /nfs/dbraw/zinc/45/25/10/721452510.db2.gz MAJPLWVQKMRDQH-HRAATJIYSA-N 1 1 436.988 1.645 20 0 IDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cnc1C(N)=O)CC2 ZINC001164786794 721457380 /nfs/dbraw/zinc/45/73/80/721457380.db2.gz NQOMZVUNDYRWLQ-INIZCTEOSA-N 1 1 437.972 1.963 20 0 IDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(C(N)=O)n1)CC2 ZINC001164784463 721457448 /nfs/dbraw/zinc/45/74/48/721457448.db2.gz FJJSQNWOATWMIV-MRXNPFEDSA-N 1 1 437.972 1.963 20 0 IDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164791756 721469313 /nfs/dbraw/zinc/46/93/13/721469313.db2.gz YLXJEDNBPVJTJT-GOSISDBHSA-N 1 1 438.594 1.463 20 0 IDADMO CN1CCN(Cc2cn3c(n2)CN(c2ccc(OCC4CC[NH2+]CC4)cn2)CC3)CC1 ZINC001164796423 721522835 /nfs/dbraw/zinc/52/28/35/721522835.db2.gz YIWZPVZOPDSULX-UHFFFAOYSA-N 1 1 425.581 1.424 20 0 IDADMO NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(Cl)c1 ZINC001164905192 721528905 /nfs/dbraw/zinc/52/89/05/721528905.db2.gz GKPUGWREJQNION-DZGCQCFKSA-N 1 1 426.901 1.863 20 0 IDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(S(N)(=O)=O)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810681 721547540 /nfs/dbraw/zinc/54/75/40/721547540.db2.gz XTIQAQOLWBTJFF-RCCFBDPRSA-N 1 1 437.953 1.646 20 0 IDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncc(S(N)(=O)=O)cc2Cl)[C@H]2CCCO[C@@H]12 ZINC001164810681 721547546 /nfs/dbraw/zinc/54/75/46/721547546.db2.gz XTIQAQOLWBTJFF-RCCFBDPRSA-N 1 1 437.953 1.646 20 0 IDADMO O=C(NC1CCOCC1)c1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164906525 721559228 /nfs/dbraw/zinc/55/92/28/721559228.db2.gz JTZAJSAMGQDABO-AZUAARDMSA-N 1 1 441.507 1.866 20 0 IDADMO NC(=O)[C@@H]1CCCN1c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncn1 ZINC001164906880 721560713 /nfs/dbraw/zinc/56/07/13/721560713.db2.gz LGPONBBACXTCMY-QRQLOZEOSA-N 1 1 426.496 1.412 20 0 IDADMO CCNS(=O)(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809370 721564079 /nfs/dbraw/zinc/56/40/79/721564079.db2.gz WQFLZFFBMKRVDE-CMKODMSKSA-N 1 1 431.562 1.643 20 0 IDADMO CCNS(=O)(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164809370 721564084 /nfs/dbraw/zinc/56/40/84/721564084.db2.gz WQFLZFFBMKRVDE-CMKODMSKSA-N 1 1 431.562 1.643 20 0 IDADMO CN1CC(=O)Nc2cnc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc21 ZINC001164907308 721711293 /nfs/dbraw/zinc/71/12/93/721711293.db2.gz QPCDNKWUMBMNIO-FQEVSTJZSA-N 1 1 429.475 1.998 20 0 IDADMO CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCn3c(COCC(=O)N(C)C)nnc3C2)nc1 ZINC001165011728 721723422 /nfs/dbraw/zinc/72/34/22/721723422.db2.gz SSWCAJAEIJTNCQ-GOSISDBHSA-N 1 1 427.553 1.845 20 0 IDADMO Cc1nc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2[nH]1 ZINC001164913016 721777383 /nfs/dbraw/zinc/77/73/83/721777383.db2.gz SZEMWBXOXQPORK-FQEVSTJZSA-N 1 1 429.912 1.818 20 0 IDADMO Cc1nc2nc(Cl)nc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2[nH]1 ZINC001164913016 721777387 /nfs/dbraw/zinc/77/73/87/721777387.db2.gz SZEMWBXOXQPORK-FQEVSTJZSA-N 1 1 429.912 1.818 20 0 IDADMO Cn1cnc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164910736 721778336 /nfs/dbraw/zinc/77/83/36/721778336.db2.gz CCGLKQUXLQFYPP-HXUWFJFHSA-N 1 1 429.912 1.520 20 0 IDADMO Cn1cnc2c1nc(Cl)nc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164910736 721778337 /nfs/dbraw/zinc/77/83/37/721778337.db2.gz CCGLKQUXLQFYPP-HXUWFJFHSA-N 1 1 429.912 1.520 20 0 IDADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@]4(C[C@H](OCC(=O)N5CCCC5)CO4)C3)c2)CC1 ZINC001164939047 721919313 /nfs/dbraw/zinc/91/93/13/721919313.db2.gz RZFZTCKUXCVFGE-XUZZJYLKSA-N 1 1 444.576 1.931 20 0 IDADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@]4(C[C@@H](OCC(=O)N5CCCC5)CO4)C3)c2)CC1 ZINC001164938836 721919485 /nfs/dbraw/zinc/91/94/85/721919485.db2.gz RZFZTCKUXCVFGE-QPPBQGQZSA-N 1 1 444.576 1.931 20 0 IDADMO CCc1cc(N2C[C@@H]3OCCN(Cc4c(C)noc4C)[C@H]3C2)nc(N2CCOCC2)[nH+]1 ZINC001164942218 721951022 /nfs/dbraw/zinc/95/10/22/721951022.db2.gz DMFLAEHNLUFAJZ-PMACEKPBSA-N 1 1 428.537 1.570 20 0 IDADMO O=C(c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)nc1)N1CCS(=O)(=O)CC1 ZINC000468329370 721960963 /nfs/dbraw/zinc/96/09/63/721960963.db2.gz SFKJIIVZDSHSKF-UHFFFAOYSA-N 1 1 444.557 1.153 20 0 IDADMO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2C1 ZINC001164950196 721988748 /nfs/dbraw/zinc/98/87/48/721988748.db2.gz JEULSJHXFRMOQW-NVXWUHKLSA-N 1 1 428.002 1.895 20 0 IDADMO O=S(=O)(c1ccccc1)n1ccc2cnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc21 ZINC001164967746 722074770 /nfs/dbraw/zinc/07/47/70/722074770.db2.gz UTEGLDSATLSCTJ-KDURUIRLSA-N 1 1 439.541 1.968 20 0 IDADMO Cn1ccnc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2CCCO[C@H]21 ZINC001164975437 722093785 /nfs/dbraw/zinc/09/37/85/722093785.db2.gz GLXZWNKGDFVVQD-ZVDOUQERSA-N 1 1 440.548 1.454 20 0 IDADMO Cn1cc(N2C[C@H]3CN(c4ncnc5c4CC[N@H+](Cc4ccccc4)C5)C[C@H]3C2=O)cn1 ZINC001164979392 722094707 /nfs/dbraw/zinc/09/47/07/722094707.db2.gz KAQBKRFLSNZIHR-WIYYLYMNSA-N 1 1 429.528 1.868 20 0 IDADMO Cn1cc(N2C[C@H]3CN(c4ncnc5c4CC[N@@H+](Cc4ccccc4)C5)C[C@H]3C2=O)cn1 ZINC001164979392 722094708 /nfs/dbraw/zinc/09/47/08/722094708.db2.gz KAQBKRFLSNZIHR-WIYYLYMNSA-N 1 1 429.528 1.868 20 0 IDADMO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983684 722128047 /nfs/dbraw/zinc/12/80/47/722128047.db2.gz YZZNQHHBPHQGEZ-RTBURBONSA-N 1 1 431.562 1.502 20 0 IDADMO COC(=O)c1cc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2n1C ZINC001164977060 722137901 /nfs/dbraw/zinc/13/79/01/722137901.db2.gz IFARYCQRFUGHII-PXNSSMCTSA-N 1 1 436.516 1.877 20 0 IDADMO 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ZINC001164784460 721457392 /nfs/dbraw/zinc/45/73/92/721457392.db2.gz FJJSQNWOATWMIV-INIZCTEOSA-N 1 1 437.972 1.963 20 0 IDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001164785025 721457750 /nfs/dbraw/zinc/45/77/50/721457750.db2.gz LFWRRLSVKFDWJJ-SFHVURJKSA-N 1 1 438.594 1.463 20 0 IDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cncc(C(=O)N(C)C)n1)CC2 ZINC001164790652 721468178 /nfs/dbraw/zinc/46/81/78/721468178.db2.gz TXLBBSOBMUXACL-IBGZPJMESA-N 1 1 431.581 1.912 20 0 IDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cncc(-n3cncn3)n1)CC2 ZINC001164789969 721468885 /nfs/dbraw/zinc/46/88/85/721468885.db2.gz PNGLBAZDKNZDFU-LJQANCHMSA-N 1 1 427.553 1.791 20 0 IDADMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164791758 721469260 /nfs/dbraw/zinc/46/92/60/721469260.db2.gz YLXJEDNBPVJTJT-SFHVURJKSA-N 1 1 438.594 1.463 20 0 IDADMO C[NH+]1CCN(c2nccc(N3Cc4nccn4C[C@H](COCc4ccccn4)C3)n2)CC1 ZINC001164892293 721470198 /nfs/dbraw/zinc/47/01/98/721470198.db2.gz PUNOUSFAGDCATB-IBGZPJMESA-N 1 1 434.548 1.673 20 0 IDADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4COC[C@@H](CC(=O)N5CCC(F)CC5)[C@@H]4C3)n2)CC1 ZINC001164892704 721479388 /nfs/dbraw/zinc/47/93/88/721479388.db2.gz HNRIPORWIGCQLP-GGPKGHCWSA-N 1 1 446.571 1.278 20 0 IDADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@@H](C(=O)N5CCCO5)[C@H]4C3)c2)CC1 ZINC001164790912 721483284 /nfs/dbraw/zinc/48/32/84/721483284.db2.gz HOFWIMZJAHEMHE-NJYVYQBISA-N 1 1 430.549 1.950 20 0 IDADMO NS(=O)(=O)c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(Cl)c1 ZINC001164905193 721528401 /nfs/dbraw/zinc/52/84/01/721528401.db2.gz GKPUGWREJQNION-HIFRSBDPSA-N 1 1 426.901 1.863 20 0 IDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164803759 721538926 /nfs/dbraw/zinc/53/89/26/721538926.db2.gz IXVOSTHUDMSFJJ-RCCFBDPRSA-N 1 1 445.955 1.625 20 0 IDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(N3CCOCC3)n2)[C@H]2CCCO[C@@H]12 ZINC001164803759 721538929 /nfs/dbraw/zinc/53/89/29/721538929.db2.gz IXVOSTHUDMSFJJ-RCCFBDPRSA-N 1 1 445.955 1.625 20 0 IDADMO CCNS(=O)(=O)c1cccnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809372 721564613 /nfs/dbraw/zinc/56/46/13/721564613.db2.gz WQFLZFFBMKRVDE-WSTZPKSXSA-N 1 1 431.562 1.643 20 0 IDADMO CCNS(=O)(=O)c1cccnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164809372 721564616 /nfs/dbraw/zinc/56/46/16/721564616.db2.gz WQFLZFFBMKRVDE-WSTZPKSXSA-N 1 1 431.562 1.643 20 0 IDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(CN3C(=O)CCC3=O)cn2)[C@@H]2CCCO[C@H]12 ZINC001164806774 721566003 /nfs/dbraw/zinc/56/60/03/721566003.db2.gz RRCBRQDGDVAXBQ-REHUZNOOSA-N 1 1 435.528 1.994 20 0 IDADMO CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(c1cc(OC3CC[NH+](C)CC3)ccn1)C2 ZINC001165024851 721788057 /nfs/dbraw/zinc/78/80/57/721788057.db2.gz TZMVCVSWICHUOZ-QHCPKHFHSA-N 1 1 432.565 1.645 20 0 IDADMO COC(=O)c1cc2c[nH]c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)cc-2n1 ZINC001164915650 721791087 /nfs/dbraw/zinc/79/10/87/721791087.db2.gz MLMZKHMEYMEHLI-HSZRJFAPSA-N 1 1 437.500 1.852 20 0 IDADMO COC(=O)c1cc2c[nH]c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)cc-2n1 ZINC001164915650 721791088 /nfs/dbraw/zinc/79/10/88/721791088.db2.gz MLMZKHMEYMEHLI-HSZRJFAPSA-N 1 1 437.500 1.852 20 0 IDADMO Cc1nc2c(nc(Cl)nc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)n1C ZINC001164914702 721793131 /nfs/dbraw/zinc/79/31/31/721793131.db2.gz QKKQNBMBRMWBDF-NRFANRHFSA-N 1 1 443.939 1.828 20 0 IDADMO Cc1nc2c(nc(Cl)nc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)n1C ZINC001164914702 721793133 /nfs/dbraw/zinc/79/31/33/721793133.db2.gz QKKQNBMBRMWBDF-NRFANRHFSA-N 1 1 443.939 1.828 20 0 IDADMO C[NH+]1CCN(c2nccc(N3CCC(F)(F)[C@]4(CCN(c5cnccn5)C4)C3)n2)CC1 ZINC001164917414 721802921 /nfs/dbraw/zinc/80/29/21/721802921.db2.gz WKNWEXZPUAFBST-HXUWFJFHSA-N 1 1 430.507 1.761 20 0 IDADMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001164929930 721857235 /nfs/dbraw/zinc/85/72/35/721857235.db2.gz QOQOHNOEONRKSG-UXHICEINSA-N 1 1 440.573 1.883 20 0 IDADMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncnc2c1ccn2S(=O)(=O)c1ccccc1 ZINC001164929930 721857238 /nfs/dbraw/zinc/85/72/38/721857238.db2.gz QOQOHNOEONRKSG-UXHICEINSA-N 1 1 440.573 1.883 20 0 IDADMO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2cc1OC(C)=O ZINC001164925659 721872721 /nfs/dbraw/zinc/87/27/21/721872721.db2.gz PDNDZSPQUFISPL-MOPGFXCFSA-N 1 1 427.505 1.695 20 0 IDADMO CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2cc1OC(C)=O ZINC001164925659 721872722 /nfs/dbraw/zinc/87/27/22/721872722.db2.gz PDNDZSPQUFISPL-MOPGFXCFSA-N 1 1 427.505 1.695 20 0 IDADMO CN1CCN(c2cccc(N(C[C@H]3CCC[C@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164948974 721991378 /nfs/dbraw/zinc/99/13/78/721991378.db2.gz FPADOAADSOCJAM-XMSQKQJNSA-N 1 1 449.621 1.433 20 0 IDADMO Cn1cccc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@@H]2COC[C@H]12 ZINC001164964513 722038068 /nfs/dbraw/zinc/03/80/68/722038068.db2.gz VPHUDCMRAXQAJF-SVFBPWRDSA-N 1 1 425.533 1.527 20 0 IDADMO CC(C)C(=O)N1CCN(c2cc(OC3CC[NH+](C)CC3)ccn2)C[C@]2(CCCC(=O)N2)C1 ZINC001164978314 722088605 /nfs/dbraw/zinc/08/86/05/722088605.db2.gz YROPIBWOZUJDTQ-XMMPIXPASA-N 1 1 443.592 1.898 20 0 IDADMO C[NH+]1CCN(c2nccc(N3C[C@H]4CN(S(C)(=O)=O)c5ccccc5[C@H]4C3)n2)CC1 ZINC001164975892 722090746 /nfs/dbraw/zinc/09/07/46/722090746.db2.gz RMVQMKUZFRNCGJ-WMZOPIPTSA-N 1 1 428.562 1.228 20 0 IDADMO O=C(c1cccnc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCNCC1 ZINC001164976095 722129280 /nfs/dbraw/zinc/12/92/80/722129280.db2.gz HBBLKZZDOJVFRS-RBBKRZOGSA-N 1 1 436.560 1.249 20 0 IDADMO O=C(c1cccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1)N1CCNCC1 ZINC001164976095 722129282 /nfs/dbraw/zinc/12/92/82/722129282.db2.gz HBBLKZZDOJVFRS-RBBKRZOGSA-N 1 1 436.560 1.249 20 0 IDADMO COC(OC)c1c(CO)ccnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164975155 722133651 /nfs/dbraw/zinc/13/36/51/722133651.db2.gz DXMRRTLQZJPTOQ-ICSRJNTNSA-N 1 1 428.533 1.988 20 0 IDADMO Cc1nc(CN2CCO[C@H]3CCN(c4ccnc(N5CC[NH+](C)CC5)n4)CC[C@H]32)cs1 ZINC001164988615 722185841 /nfs/dbraw/zinc/18/58/41/722185841.db2.gz MYODABJCXZCLTB-UXHICEINSA-N 1 1 443.621 1.863 20 0 IDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncccc2C(=O)N2CCCCC2)CC3)CC1 ZINC001164996513 722229739 /nfs/dbraw/zinc/22/97/39/722229739.db2.gz IRJPRUVDJSDZCF-UHFFFAOYSA-N 1 1 435.576 1.855 20 0 IDADMO CCOC(=O)c1nc2ccccc2c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997737 722230227 /nfs/dbraw/zinc/23/02/27/722230227.db2.gz VESFJGSNKHNKBI-UHFFFAOYSA-N 1 1 447.543 1.954 20 0 IDADMO COC(=O)c1ccc2ncnc(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1 ZINC001164997625 722230738 /nfs/dbraw/zinc/23/07/38/722230738.db2.gz RBPNWKWGJVZBQX-UHFFFAOYSA-N 1 1 433.516 1.563 20 0 IDADMO CCOC(=O)Cc1nc(Cl)cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997767 722232546 /nfs/dbraw/zinc/23/25/46/722232546.db2.gz VYIGQCVNQCRRMG-UHFFFAOYSA-N 1 1 445.955 1.383 20 0 IDADMO CN(C)c1nc(-c2ccccc2)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997826 722234949 /nfs/dbraw/zinc/23/49/49/722234949.db2.gz XFOHXNJLXCDOSE-UHFFFAOYSA-N 1 1 445.575 1.752 20 0 IDADMO CON(C)C(=O)c1cc(C)cnc1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996834 722236187 /nfs/dbraw/zinc/23/61/87/722236187.db2.gz KHYNTXPTILNRQC-UHFFFAOYSA-N 1 1 425.537 1.170 20 0 IDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2ncn4-c2ccccc2)CC3)CC1 ZINC001165002702 722239140 /nfs/dbraw/zinc/23/91/40/722239140.db2.gz XKRSPOHLTOLEEP-UHFFFAOYSA-N 1 1 441.543 1.963 20 0 IDADMO COCCOC(=O)c1ccnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1 ZINC001165001754 722239526 /nfs/dbraw/zinc/23/95/26/722239526.db2.gz LLZSMJQAQJPYBF-UHFFFAOYSA-N 1 1 426.521 1.032 20 0 IDADMO COc1cc(C(F)(F)N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(Cl)n1 ZINC001165004377 722240054 /nfs/dbraw/zinc/24/00/54/722240054.db2.gz OCRPFMBHIVBGAT-UHFFFAOYSA-N 1 1 439.898 1.831 20 0 IDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cc(O[C@@H]4CCOC4)n2)CC3)CC1 ZINC001165005166 722240326 /nfs/dbraw/zinc/24/03/26/722240326.db2.gz SPILHEFZIKMURI-OAHLLOKOSA-N 1 1 445.955 1.445 20 0 IDADMO C[NH+]1CCN(c2nccc(N3CCO[C@@]4(CCCN(C(=O)c5ccco5)C4)C3)n2)CC1 ZINC001165001716 722249866 /nfs/dbraw/zinc/24/98/66/722249866.db2.gz UBUACTDEKJEXDG-QFIPXVFZSA-N 1 1 426.521 1.333 20 0 IDADMO CCOC(=O)C1CC[NH+](C2CCN(c3ncccc3C(=O)N3CCNCC3)CC2)CC1 ZINC001164617534 719029177 /nfs/dbraw/zinc/02/91/77/719029177.db2.gz NWLBYJQIZUVPJN-UHFFFAOYSA-N 1 1 429.565 1.371 20 0 IDADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164630136 719101706 /nfs/dbraw/zinc/10/17/06/719101706.db2.gz VOLJQTIRMOEMSM-VQIMIIECSA-N 1 1 430.530 1.616 20 0 IDADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630134 719102324 /nfs/dbraw/zinc/10/23/24/719102324.db2.gz VOLJQTIRMOEMSM-LPHOPBHVSA-N 1 1 430.530 1.616 20 0 IDADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164630133 719102400 /nfs/dbraw/zinc/10/24/00/719102400.db2.gz VOLJQTIRMOEMSM-APWZRJJASA-N 1 1 430.530 1.616 20 0 IDADMO COCCN1CC[N@H+](C)C2(CCN(c3nc(C(=O)OC)cc4ccccc43)CC2)C1=O ZINC001164644087 719281748 /nfs/dbraw/zinc/28/17/48/719281748.db2.gz CDNUSPFVFKIXOO-UHFFFAOYSA-N 1 1 426.517 1.781 20 0 IDADMO COCCN1CC[N@@H+](C)C2(CCN(c3nc(C(=O)OC)cc4ccccc43)CC2)C1=O ZINC001164644087 719281753 /nfs/dbraw/zinc/28/17/53/719281753.db2.gz CDNUSPFVFKIXOO-UHFFFAOYSA-N 1 1 426.517 1.781 20 0 IDADMO C[NH+]1CCN(Cc2cc3nc(N4CCCC(=O)CC4)nc(N4CCOCC4)c3s2)CC1 ZINC001164645021 719286425 /nfs/dbraw/zinc/28/64/25/719286425.db2.gz AFKIJTGACGRMEB-UHFFFAOYSA-N 1 1 444.605 1.835 20 0 IDADMO C[N@@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3CN3CC[C@@H](CO)C3)C[C@@H]21 ZINC001164667405 719417660 /nfs/dbraw/zinc/41/76/60/719417660.db2.gz FNRFENGMFUWKJP-LSTHTHJFSA-N 1 1 431.581 1.400 20 0 IDADMO C[N@H+]1CCO[C@@H]2CN(c3nccc(NC(=O)C(C)(C)C)c3CN3CC[C@@H](CO)C3)C[C@@H]21 ZINC001164667405 719417662 /nfs/dbraw/zinc/41/76/62/719417662.db2.gz FNRFENGMFUWKJP-LSTHTHJFSA-N 1 1 431.581 1.400 20 0 IDADMO c1cn(Cc2ccccc2)c2nc[nH+]c(N3CCn4c(CN5CCOCC5)nnc4C3)c12 ZINC001164678049 719580526 /nfs/dbraw/zinc/58/05/26/719580526.db2.gz HMTUPLHBBMDTQD-UHFFFAOYSA-N 1 1 430.516 1.924 20 0 IDADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc3ccsc3c(N3CCOCC3)n1)CC2 ZINC001164681992 719704781 /nfs/dbraw/zinc/70/47/81/719704781.db2.gz AXPHSAXKBSXQQI-UHFFFAOYSA-N 1 1 430.578 1.709 20 0 IDADMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)CC2 ZINC001164689515 719738974 /nfs/dbraw/zinc/73/89/74/719738974.db2.gz GANKPBQKDFAQDI-UHFFFAOYSA-N 1 1 428.585 1.253 20 0 IDADMO COCCNC(=O)[C@@H]1Cn2nccc2CN(c2cc(OC3CC[NH+](C)CC3)ccn2)C1 ZINC001164695967 719829113 /nfs/dbraw/zinc/82/91/13/719829113.db2.gz HCPJCIRKDSGFPB-KRWDZBQOSA-N 1 1 428.537 1.150 20 0 IDADMO COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]([NH+]2CCOCC2)C[C@]1(C)C(=O)OC ZINC001164702722 719843270 /nfs/dbraw/zinc/84/32/70/719843270.db2.gz PFYZHBZZPWPKPP-KSFYIVLOSA-N 1 1 428.489 1.649 20 0 IDADMO CCOC(=O)c1cc2ccnc(N3CC[C@H]([NH+]4CCOCC4)C[C@]3(C)C(=O)OC)c2[nH]1 ZINC001164699444 719850293 /nfs/dbraw/zinc/85/02/93/719850293.db2.gz FFZNFXIQSGZGPM-KSFYIVLOSA-N 1 1 430.505 1.972 20 0 IDADMO COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164705037 719863576 /nfs/dbraw/zinc/86/35/76/719863576.db2.gz NEINHEPJRMCFSW-ASSNIIAOSA-N 1 1 442.516 1.982 20 0 IDADMO CCOC(=O)c1nc2ccn(C)c2c(N2CC[C@H]([NH+]3CCOCC3)C[C@@]2(C)C(=O)OC)n1 ZINC001164699217 719864296 /nfs/dbraw/zinc/86/42/96/719864296.db2.gz AZOQIGVPAVPZEV-NYHFZMIOSA-N 1 1 445.520 1.378 20 0 IDADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(S(N)(=O)=O)ccn1)CC2 ZINC001164714046 720148524 /nfs/dbraw/zinc/14/85/24/720148524.db2.gz VOGSCXKQWPIFLH-GOSISDBHSA-N 1 1 431.562 1.632 20 0 IDADMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(S(N)(=O)=O)nn1)CC2 ZINC001164713542 720149988 /nfs/dbraw/zinc/14/99/88/720149988.db2.gz RQIWPUHTGOYPKV-QGZVFWFLSA-N 1 1 432.550 1.027 20 0 IDADMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3c1S(=O)(=O)CC3)C2 ZINC001164814634 720199086 /nfs/dbraw/zinc/19/90/86/720199086.db2.gz VMOJTXVZDRIQNY-AUUYWEPGSA-N 1 1 426.970 1.645 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4[nH]cc(Cl)c43)C2)C1 ZINC001164717813 720213477 /nfs/dbraw/zinc/21/34/77/720213477.db2.gz IUWVIRMUKFKZPV-GOSISDBHSA-N 1 1 427.336 1.930 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4[nH]cc(Cl)c43)C2)C1 ZINC001164717813 720213492 /nfs/dbraw/zinc/21/34/92/720213492.db2.gz IUWVIRMUKFKZPV-GOSISDBHSA-N 1 1 427.336 1.930 20 0 IDADMO CCOC(=O)c1c[nH]c2ncnc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164811471 720215969 /nfs/dbraw/zinc/21/59/69/720215969.db2.gz IHHQEQZWFDVYID-UHFFFAOYSA-N 1 1 439.520 1.942 20 0 IDADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164811471 720215977 /nfs/dbraw/zinc/21/59/77/720215977.db2.gz IHHQEQZWFDVYID-UHFFFAOYSA-N 1 1 439.520 1.942 20 0 IDADMO CCOC(=O)c1c[n-]c2nc[nH+]c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164811471 720215982 /nfs/dbraw/zinc/21/59/82/720215982.db2.gz IHHQEQZWFDVYID-UHFFFAOYSA-N 1 1 439.520 1.942 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(COC)nc(-c4ccccc4)n3)C2)C1 ZINC001164719237 720216876 /nfs/dbraw/zinc/21/68/76/720216876.db2.gz PFQZBVMCYQESDD-XMMPIXPASA-N 1 1 439.560 1.955 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(COC)nc(-c4ccccc4)n3)C2)C1 ZINC001164719237 720216879 /nfs/dbraw/zinc/21/68/79/720216879.db2.gz PFQZBVMCYQESDD-XMMPIXPASA-N 1 1 439.560 1.955 20 0 IDADMO CCOC(=O)c1nnc(SC)nc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164812791 720217243 /nfs/dbraw/zinc/21/72/43/720217243.db2.gz IZTVSSUKCDOLTE-UHFFFAOYSA-N 1 1 447.565 1.577 20 0 IDADMO COC(=O)Cc1c(Cl)ncnc1N1CCCn2c(=O)cc(C[N@@H+](C)C(C)C)nc2C1 ZINC001164811916 720218408 /nfs/dbraw/zinc/21/84/08/720218408.db2.gz ANGWZHNJICRIPP-UHFFFAOYSA-N 1 1 434.928 1.653 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc5c(cc43)OCCO5)C2)C1 ZINC001164718437 720223093 /nfs/dbraw/zinc/22/30/93/720223093.db2.gz LPVYRLHHVBSCGO-QFIPXVFZSA-N 1 1 427.505 1.066 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4cc5c(cc43)OCCO5)C2)C1 ZINC001164718437 720223104 /nfs/dbraw/zinc/22/31/04/720223104.db2.gz LPVYRLHHVBSCGO-QFIPXVFZSA-N 1 1 427.505 1.066 20 0 IDADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(CN3C(=O)CCC3=O)cn1)CCC2 ZINC001164813302 720229327 /nfs/dbraw/zinc/22/93/27/720229327.db2.gz MQHIPHMTXANAHK-UHFFFAOYSA-N 1 1 438.532 1.538 20 0 IDADMO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1S(C)(=O)=O)CCC2 ZINC001164813436 720233824 /nfs/dbraw/zinc/23/38/24/720233824.db2.gz OGBCFMZVWSRHLF-UHFFFAOYSA-N 1 1 439.969 1.946 20 0 IDADMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)ccc1S(C)(=O)=O)CCC2 ZINC001164813436 720233834 /nfs/dbraw/zinc/23/38/34/720233834.db2.gz OGBCFMZVWSRHLF-UHFFFAOYSA-N 1 1 439.969 1.946 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nccc4cc(C(=O)OC)ccc43)C2)C1 ZINC001164719017 720239702 /nfs/dbraw/zinc/23/97/02/720239702.db2.gz KJBOUHXAMYEGLT-HSZRJFAPSA-N 1 1 426.517 1.686 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nccc4cc(C(=O)OC)ccc43)C2)C1 ZINC001164719017 720239706 /nfs/dbraw/zinc/23/97/06/720239706.db2.gz KJBOUHXAMYEGLT-HSZRJFAPSA-N 1 1 426.517 1.686 20 0 IDADMO CCNC(=O)c1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1 ZINC001164817940 720247667 /nfs/dbraw/zinc/24/76/67/720247667.db2.gz UTHRZGXDAQAHPQ-UHFFFAOYSA-N 1 1 433.944 1.687 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccc(OC)c43)C2)C1 ZINC001164718719 720258990 /nfs/dbraw/zinc/25/89/90/720258990.db2.gz HMDXFJYNIXFOPW-OAQYLSRUSA-N 1 1 433.940 1.957 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)nc4cccc(OC)c43)C2)C1 ZINC001164718719 720258999 /nfs/dbraw/zinc/25/89/99/720258999.db2.gz HMDXFJYNIXFOPW-OAQYLSRUSA-N 1 1 433.940 1.957 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3N3CCCC3)C2)C1 ZINC001164721605 720280666 /nfs/dbraw/zinc/28/06/66/720280666.db2.gz LXHHHDJLFHHIFC-XMMPIXPASA-N 1 1 438.576 1.895 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3nc4ccccc4nc3N3CCCC3)C2)C1 ZINC001164721605 720280672 /nfs/dbraw/zinc/28/06/72/720280672.db2.gz LXHHHDJLFHHIFC-XMMPIXPASA-N 1 1 438.576 1.895 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCC3)C2)C1 ZINC001164721604 720281351 /nfs/dbraw/zinc/28/13/51/720281351.db2.gz LXHHHDJLFHHIFC-DEOSSOPVSA-N 1 1 438.576 1.895 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3nc4ccccc4nc3N3CCCC3)C2)C1 ZINC001164721604 720281360 /nfs/dbraw/zinc/28/13/60/720281360.db2.gz LXHHHDJLFHHIFC-DEOSSOPVSA-N 1 1 438.576 1.895 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ncn4-c3ccccc3)C2)C1 ZINC001164721403 720301096 /nfs/dbraw/zinc/30/10/96/720301096.db2.gz GWAHYTLUFOJJEX-HSZRJFAPSA-N 1 1 435.532 1.480 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3ncn4-c3ccccc3)C2)C1 ZINC001164721403 720301105 /nfs/dbraw/zinc/30/11/05/720301105.db2.gz GWAHYTLUFOJJEX-HSZRJFAPSA-N 1 1 435.532 1.480 20 0 IDADMO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C(N)=S)c4ccsc43)C2)C1 ZINC001164721052 720309221 /nfs/dbraw/zinc/30/92/21/720309221.db2.gz DFGYTAAKTWEPRK-FQEVSTJZSA-N 1 1 433.603 1.595 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C(N)=S)c4ccsc43)C2)C1 ZINC001164721052 720309225 /nfs/dbraw/zinc/30/92/25/720309225.db2.gz DFGYTAAKTWEPRK-FQEVSTJZSA-N 1 1 433.603 1.595 20 0 IDADMO COC(=O)c1c[nH]c2ncnc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164834387 720324912 /nfs/dbraw/zinc/32/49/12/720324912.db2.gz ZSFQUFQBTXNJDX-SJORKVTESA-N 1 1 426.521 1.656 20 0 IDADMO Cc1nc(CN2CCN(C)C3(CCN(c4cc(N(C)C)nc(C)[nH+]4)CC3)C2=O)cs1 ZINC001164824813 720360352 /nfs/dbraw/zinc/36/03/52/720360352.db2.gz MQVUDUBGWHAGDS-UHFFFAOYSA-N 1 1 429.594 1.929 20 0 IDADMO Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164831179 720473319 /nfs/dbraw/zinc/47/33/19/720473319.db2.gz NFQZVSGNYCSNCD-HXUWFJFHSA-N 1 1 440.592 1.862 20 0 IDADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)nc(N4CCOCC4)n3)CC[C@@H]21 ZINC001164838446 720521161 /nfs/dbraw/zinc/52/11/61/720521161.db2.gz RBIGUAMDUXRSTI-SQNIBIBYSA-N 1 1 446.987 1.936 20 0 IDADMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)nc(N4CCOCC4)n3)CC[C@@H]21 ZINC001164838440 720521505 /nfs/dbraw/zinc/52/15/05/720521505.db2.gz RBIGUAMDUXRSTI-BZSNNMDCSA-N 1 1 446.987 1.936 20 0 IDADMO CC(C)[N@@H+]1[C@@H]2CCN(c3cc(N4CCC[C@@H]4C(N)=O)ncn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164836751 720627062 /nfs/dbraw/zinc/62/70/62/720627062.db2.gz GRTDAWMXPIDCJJ-IYWMVGAKSA-N 1 1 438.580 1.505 20 0 IDADMO c1ccc2nc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(N3CCOCC3)nc2c1 ZINC001164741980 720692066 /nfs/dbraw/zinc/69/20/66/720692066.db2.gz UWVJYQXDSYHWTI-ROUUACIJSA-N 1 1 433.516 1.598 20 0 IDADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737907 720760461 /nfs/dbraw/zinc/76/04/61/720760461.db2.gz DKZAZAKYHGLEHL-IAGOWNOFSA-N 1 1 432.550 1.244 20 0 IDADMO CCC[C@H](C)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164742888 720768580 /nfs/dbraw/zinc/76/85/80/720768580.db2.gz PEGGIRMLTHAAGU-OKZBNKHCSA-N 1 1 446.577 1.680 20 0 IDADMO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n1)CNCC2 ZINC001164741671 720810292 /nfs/dbraw/zinc/81/02/92/720810292.db2.gz BPOIJGVKUHCHPG-JTDSTZFVSA-N 1 1 428.972 1.747 20 0 IDADMO Clc1nc2c(c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n1)CNCC2 ZINC001164741671 720810294 /nfs/dbraw/zinc/81/02/94/720810294.db2.gz BPOIJGVKUHCHPG-JTDSTZFVSA-N 1 1 428.972 1.747 20 0 IDADMO CN1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747661 720812796 /nfs/dbraw/zinc/81/27/96/720812796.db2.gz OUPLCJBSBFNXQN-QHAWAJNXSA-N 1 1 437.596 1.199 20 0 IDADMO CN1CCN(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nn2)CC1 ZINC001164747661 720812798 /nfs/dbraw/zinc/81/27/98/720812798.db2.gz OUPLCJBSBFNXQN-QHAWAJNXSA-N 1 1 437.596 1.199 20 0 IDADMO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1OC ZINC001164749262 720815016 /nfs/dbraw/zinc/81/50/16/720815016.db2.gz SROPTSSPXWKZSO-YQVWRLOYSA-N 1 1 426.521 1.848 20 0 IDADMO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739216 720819893 /nfs/dbraw/zinc/81/98/93/720819893.db2.gz HTBBCJWGNBADDU-JJRVBVJISA-N 1 1 433.919 1.944 20 0 IDADMO CCOC(=O)c1cnc(C)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164740152 720820731 /nfs/dbraw/zinc/82/07/31/720820731.db2.gz JEFPSLMDCVFXKH-WSTZPKSXSA-N 1 1 425.537 1.933 20 0 IDADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738754 720822671 /nfs/dbraw/zinc/82/26/71/720822671.db2.gz GFJNBGMESCMLCE-ARFHVFGLSA-N 1 1 427.944 1.988 20 0 IDADMO Cn1cnc2c1nc(Cl)nc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164738756 720822808 /nfs/dbraw/zinc/82/28/08/720822808.db2.gz GFJNBGMESCMLCE-HRCADAONSA-N 1 1 427.944 1.988 20 0 IDADMO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748231 720836566 /nfs/dbraw/zinc/83/65/66/720836566.db2.gz SKGNPCPZXVCXCL-IPMKNSEASA-N 1 1 445.593 1.351 20 0 IDADMO CN1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)n2)CC1 ZINC001164743087 720837103 /nfs/dbraw/zinc/83/71/03/720837103.db2.gz INLRTMANVOOWCZ-BHDDXSALSA-N 1 1 436.608 1.804 20 0 IDADMO CN1CCN(c2cccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)n2)CC1 ZINC001164743087 720837104 /nfs/dbraw/zinc/83/71/04/720837104.db2.gz INLRTMANVOOWCZ-BHDDXSALSA-N 1 1 436.608 1.804 20 0 IDADMO O=C1CCC(=O)N1Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164739440 720838181 /nfs/dbraw/zinc/83/81/81/720838181.db2.gz AHGSZBXSRFYFBV-PCCBWWKXSA-N 1 1 449.559 1.702 20 0 IDADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748217 720840862 /nfs/dbraw/zinc/84/08/62/720840862.db2.gz SJXJIXJIGSCGGT-IRFCIJBXSA-N 1 1 439.564 1.994 20 0 IDADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748219 720841130 /nfs/dbraw/zinc/84/11/30/720841130.db2.gz SJXJIXJIGSCGGT-QKNQBKEWSA-N 1 1 439.564 1.994 20 0 IDADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)CC[C@@H]2C1 ZINC001164855374 720845939 /nfs/dbraw/zinc/84/59/39/720845939.db2.gz UCZUQRPPJNZRLQ-HZPDHXFCSA-N 1 1 434.566 1.096 20 0 IDADMO CCNS(=O)(=O)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1 ZINC001164748975 720846974 /nfs/dbraw/zinc/84/69/74/720846974.db2.gz VGZXOCLZQJFXRM-NLWGTHIKSA-N 1 1 445.593 1.351 20 0 IDADMO COC(=O)CSc1cncc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164744615 720851368 /nfs/dbraw/zinc/85/13/68/720851368.db2.gz CAJBEUUONLUVJV-KZNAEPCWSA-N 1 1 443.577 1.713 20 0 IDADMO COCC[N@H+]1CCO[C@H]2CN(c3cc(-c4cc5c([nH]4)CCNC5=O)ccn3)CC[C@H]2C1 ZINC001164860212 720852564 /nfs/dbraw/zinc/85/25/64/720852564.db2.gz VWQORHUJJBFPNM-UWJYYQICSA-N 1 1 425.533 1.536 20 0 IDADMO COC(=O)c1nc(Cl)cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164753020 720852654 /nfs/dbraw/zinc/85/26/54/720852654.db2.gz VETNYGJKUKTMLF-ARFHVFGLSA-N 1 1 431.928 1.888 20 0 IDADMO CNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164752726 720859590 /nfs/dbraw/zinc/85/95/90/720859590.db2.gz UNGZQKNPRVELRI-BFYDXBDKSA-N 1 1 430.944 1.461 20 0 IDADMO CCNC(=O)c1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164751897 720861187 /nfs/dbraw/zinc/86/11/87/720861187.db2.gz RMXQNBZRLSJBIR-JFIYKMOQSA-N 1 1 444.971 1.851 20 0 IDADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC[C@H]2C1 ZINC001164860478 720874392 /nfs/dbraw/zinc/87/43/92/720874392.db2.gz ONULXUAKSYHWJJ-RBUKOAKNSA-N 1 1 431.585 1.246 20 0 IDADMO COCC[N@H+]1CCO[C@H]2CN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC[C@H]2C1 ZINC001164855344 720878260 /nfs/dbraw/zinc/87/82/60/720878260.db2.gz GZIWJVSGQJHHQJ-LPHOPBHVSA-N 1 1 438.956 1.381 20 0 IDADMO CC(C)N(C)Cc1cnc2n1CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)[C@H]2C ZINC001164859821 720922061 /nfs/dbraw/zinc/92/20/61/720922061.db2.gz QCJJZQYRBZGDBU-HNNXBMFYSA-N 1 1 447.609 1.186 20 0 IDADMO CN1C[C@H](COCC2CC2)[C@@H]2CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1=O ZINC001164862969 721029495 /nfs/dbraw/zinc/02/94/95/721029495.db2.gz SBNLOYPTLOPCJZ-HKBOAZHASA-N 1 1 442.608 1.576 20 0 IDADMO CN1C[C@H](COCC2CC2)[C@H]2CCN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1=O ZINC001164862971 721029954 /nfs/dbraw/zinc/02/99/54/721029954.db2.gz SBNLOYPTLOPCJZ-NJYVYQBISA-N 1 1 442.608 1.576 20 0 IDADMO c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CC[N@H+]3C2)c1 ZINC001164871399 721069973 /nfs/dbraw/zinc/06/99/73/721069973.db2.gz YMZXORBIRKWXEC-RTBURBONSA-N 1 1 437.548 1.156 20 0 IDADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(S(=O)(=O)N5CCCCC5)cn4)C[C@@H]3C2)cn1 ZINC001164773343 721196888 /nfs/dbraw/zinc/19/68/88/721196888.db2.gz WJIQNQUVLYEWSQ-UXHICEINSA-N 1 1 444.605 1.948 20 0 IDADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)N4CCCCC4)C[C@H]3C2)cn1 ZINC001164766887 721219813 /nfs/dbraw/zinc/21/98/13/721219813.db2.gz JLOWXFZKQMUYLA-WOJBJXKFSA-N 1 1 444.605 1.948 20 0 IDADMO CCOC(=O)c1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)ncc1Cl ZINC001164879231 721263493 /nfs/dbraw/zinc/26/34/93/721263493.db2.gz WRRKYVYNZHZKIO-UHFFFAOYSA-N 1 1 438.956 1.919 20 0 IDADMO COC(=O)c1ccc2c(c1)ncnc2N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164869825 721265952 /nfs/dbraw/zinc/26/59/52/721265952.db2.gz OZUYYAZAOKKZSJ-UHFFFAOYSA-N 1 1 441.532 1.423 20 0 IDADMO COC(=O)c1cc2c[nH]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)cc-2n1 ZINC001164874539 721282940 /nfs/dbraw/zinc/28/29/40/721282940.db2.gz UJXYXCLWVKNITO-UHFFFAOYSA-N 1 1 429.521 1.357 20 0 IDADMO C[NH+]1CCN(c2nccc(N3CCC4(C[C@H](Oc5ncccc5F)CO4)CC3)n2)CC1 ZINC001164777391 721327016 /nfs/dbraw/zinc/32/70/16/721327016.db2.gz MXFMASHBQDWGSJ-KRWDZBQOSA-N 1 1 428.512 1.969 20 0 IDADMO C[NH+]1CCN(c2ccc(N(c3ccccn3)c3ccnc([C@@H]4COCCN4)n3)nn2)CC1 ZINC001164876289 721329703 /nfs/dbraw/zinc/32/97/03/721329703.db2.gz NOKSDBRNTNBDKA-KRWDZBQOSA-N 1 1 433.520 1.544 20 0 IDADMO Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ccc(N4CC[NH2+]CC4)nn3)C2)C1 ZINC001164778201 721339696 /nfs/dbraw/zinc/33/96/96/721339696.db2.gz KRECMERJGLQHMT-QHCPKHFHSA-N 1 1 441.580 1.610 20 0 IDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3C(N)=O)C2)C1 ZINC001164778212 721345462 /nfs/dbraw/zinc/34/54/62/721345462.db2.gz LELBWDYIDRXDLI-FQEVSTJZSA-N 1 1 434.928 1.953 20 0 IDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3C(N)=O)C2)C1 ZINC001164778212 721345466 /nfs/dbraw/zinc/34/54/66/721345466.db2.gz LELBWDYIDRXDLI-FQEVSTJZSA-N 1 1 434.928 1.953 20 0 IDADMO CCNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164787086 721369577 /nfs/dbraw/zinc/36/95/77/721369577.db2.gz YUBDSVHZIAMIAA-QFIPXVFZSA-N 1 1 428.537 1.950 20 0 IDADMO CCNC(=O)c1ccc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nn1 ZINC001164787086 721369580 /nfs/dbraw/zinc/36/95/80/721369580.db2.gz YUBDSVHZIAMIAA-QFIPXVFZSA-N 1 1 428.537 1.950 20 0 IDADMO COC(=O)c1ncnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1OC ZINC001164779835 721376688 /nfs/dbraw/zinc/37/66/88/721376688.db2.gz CPGIDCTWOPVMSX-JOCHJYFZSA-N 1 1 445.520 1.996 20 0 IDADMO COC(=O)c1ncnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1OC ZINC001164779835 721376693 /nfs/dbraw/zinc/37/66/93/721376693.db2.gz CPGIDCTWOPVMSX-JOCHJYFZSA-N 1 1 445.520 1.996 20 0 IDADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cccnc4)C3)n2)CC1 ZINC001164780642 721381735 /nfs/dbraw/zinc/38/17/35/721381735.db2.gz HPQSAEUJQMCELU-ZJOUEHCJSA-N 1 1 437.548 1.037 20 0 IDADMO COC(=O)c1cc2cnc(N3CC[C@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)nc2n1C ZINC001164888758 721430743 /nfs/dbraw/zinc/43/07/43/721430743.db2.gz ARWAHAMEDHEIJA-MBSDFSHPSA-N 1 1 442.564 1.520 20 0 IDADMO CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(OCC5CC[NH2+]CC5)nn4)C3)O2)CC1 ZINC001164896668 721443988 /nfs/dbraw/zinc/44/39/88/721443988.db2.gz RSMBFANVZMCAFE-XUZZJYLKSA-N 1 1 444.624 1.620 20 0 IDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1S(N)(=O)=O)CC2 ZINC001164783236 721452810 /nfs/dbraw/zinc/45/28/10/721452810.db2.gz AOHQVFMFMOEJPJ-GOSISDBHSA-N 1 1 438.594 1.463 20 0 IDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(N)(=O)=O)cn1)CC2 ZINC001164785017 721457745 /nfs/dbraw/zinc/45/77/45/721457745.db2.gz LFWRRLSVKFDWJJ-GOSISDBHSA-N 1 1 438.594 1.463 20 0 IDADMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C(N)=O)CC2 ZINC001164783702 721461777 /nfs/dbraw/zinc/46/17/77/721461777.db2.gz FUMQHIXHLNADSS-MRXNPFEDSA-N 1 1 437.972 1.963 20 0 IDADMO COC(=O)c1ccc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C(=O)OC ZINC001164810682 721533711 /nfs/dbraw/zinc/53/37/11/721533711.db2.gz XVZGJOLVYVIZFW-BBTUJRGHSA-N 1 1 440.500 1.918 20 0 IDADMO COC(=O)c1ccc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc1C(=O)OC ZINC001164810682 721533712 /nfs/dbraw/zinc/53/37/12/721533712.db2.gz XVZGJOLVYVIZFW-BBTUJRGHSA-N 1 1 440.500 1.918 20 0 IDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(N3CCOCC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164803756 721539140 /nfs/dbraw/zinc/53/91/40/721539140.db2.gz IXVOSTHUDMSFJJ-KZNAEPCWSA-N 1 1 445.955 1.625 20 0 IDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(N3CCOCC3)n2)[C@@H]2CCCO[C@H]21 ZINC001164803756 721539145 /nfs/dbraw/zinc/53/91/45/721539145.db2.gz IXVOSTHUDMSFJJ-KZNAEPCWSA-N 1 1 445.955 1.625 20 0 IDADMO Cn1cc(C(=O)N[C@H]2CN(c3cc(OC4CC[NH+](C)CC4)ccn3)[C@@H]3CCCO[C@@H]32)cn1 ZINC001165012730 721758184 /nfs/dbraw/zinc/75/81/84/721758184.db2.gz GUTJPIHAKFUVGM-TUNNFDKTSA-N 1 1 440.548 1.454 20 0 IDADMO CS(=O)(=O)N1C[C@H]2CCCN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)[C@H]2C1 ZINC001164950030 721983476 /nfs/dbraw/zinc/98/34/76/721983476.db2.gz SFYDKCKOCWMFNI-NQIIRXRSSA-N 1 1 427.574 1.895 20 0 IDADMO CS(=O)(=O)N1C[C@H]2CCCN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)[C@H]2C1 ZINC001164950030 721983480 /nfs/dbraw/zinc/98/34/80/721983480.db2.gz SFYDKCKOCWMFNI-NQIIRXRSSA-N 1 1 427.574 1.895 20 0 IDADMO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2C1 ZINC001164950200 721988560 /nfs/dbraw/zinc/98/85/60/721988560.db2.gz JEULSJHXFRMOQW-WBVHZDCISA-N 1 1 428.002 1.895 20 0 IDADMO CNS(=O)(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960715 722057873 /nfs/dbraw/zinc/05/78/73/722057873.db2.gz JBLCNFRCTFVFTP-UHFFFAOYSA-N 1 1 431.562 1.504 20 0 IDADMO CN1CCN(c2nccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)n2)CC1 ZINC001164961763 722060992 /nfs/dbraw/zinc/06/09/92/722060992.db2.gz PBHCHTKTDQJSDK-UHFFFAOYSA-N 1 1 437.592 1.742 20 0 IDADMO CS(=O)(=O)c1ccc(Oc2ccnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)n2)cc1 ZINC001164966865 722074387 /nfs/dbraw/zinc/07/43/87/722074387.db2.gz GSCBUXURUCMYQQ-HDICACEKSA-N 1 1 430.530 1.972 20 0 IDADMO NS(=O)(=O)c1cnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164980476 722111797 /nfs/dbraw/zinc/11/17/97/722111797.db2.gz RIBBTGQQPAYIHN-CRAIPNDOSA-N 1 1 437.953 1.505 20 0 IDADMO 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CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cnc(OCc4ccccc4)cn3)C2)C1 ZINC001164721443 720272114 /nfs/dbraw/zinc/27/21/14/720272114.db2.gz JMRFYQYVFHTJPC-HSZRJFAPSA-N 1 1 425.533 1.720 20 0 IDADMO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cnc(OCc4ccccc4)cn3)C2)C1 ZINC001164721443 720272126 /nfs/dbraw/zinc/27/21/26/720272126.db2.gz JMRFYQYVFHTJPC-HSZRJFAPSA-N 1 1 425.533 1.720 20 0 IDADMO CNC(=O)CN1CCOC[C@]2(CCCN(c3cc(OC4CC[NH+](C)CC4)ccn3)C2)C1 ZINC001164725926 720303786 /nfs/dbraw/zinc/30/37/86/720303786.db2.gz XFFNAMLLGZSMEU-HSZRJFAPSA-N 1 1 431.581 1.219 20 0 IDADMO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ncccc2C(=O)N2CCNCC2)CC1 ZINC001164823355 720327139 /nfs/dbraw/zinc/32/71/39/720327139.db2.gz ATOREQQDAMFBMQ-RTWAWAEBSA-N 1 1 440.592 1.039 20 0 IDADMO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ncccc2C(=O)N2CCNCC2)CC1 ZINC001164823353 720327495 /nfs/dbraw/zinc/32/74/95/720327495.db2.gz ATOREQQDAMFBMQ-LEWJYISDSA-N 1 1 440.592 1.039 20 0 IDADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164730889 720414782 /nfs/dbraw/zinc/41/47/82/720414782.db2.gz JKDVKFHWEBFZPG-VQTJNVASSA-N 1 1 438.532 1.738 20 0 IDADMO O=C(c1ccc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)nc1)N1CCS(=O)(=O)CC1 ZINC001164733562 720458476 /nfs/dbraw/zinc/45/84/76/720458476.db2.gz PSWZJNXCALBVMB-WOJBJXKFSA-N 1 1 441.557 1.200 20 0 IDADMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc(Cl)nc(N4CCOCC4)n3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838444 720521176 /nfs/dbraw/zinc/52/11/76/720521176.db2.gz RBIGUAMDUXRSTI-OKZBNKHCSA-N 1 1 446.987 1.936 20 0 IDADMO CCNS(=O)(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164837969 720566339 /nfs/dbraw/zinc/56/63/39/720566339.db2.gz MYHNHQPCAOHGHW-IPMKNSEASA-N 1 1 432.594 1.954 20 0 IDADMO c1cc2nc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc(N3CCOCC3)c2s1 ZINC001164743068 720641146 /nfs/dbraw/zinc/64/11/46/720641146.db2.gz OTEWHDZCVPQYPV-HZPDHXFCSA-N 1 1 439.545 1.660 20 0 IDADMO CCOC(=O)c1cc2ncnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2s1 ZINC001164747043 720733493 /nfs/dbraw/zinc/73/34/93/720733493.db2.gz ZRNKRYXYBOSPCF-KGLIPLIRSA-N 1 1 426.502 2.000 20 0 IDADMO CC(C)N1Cc2c(nc(Cl)nc2N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)C1=O ZINC001164744626 720748112 /nfs/dbraw/zinc/74/81/12/720748112.db2.gz RRKHVSXRSOHYQQ-UONOGXRCSA-N 1 1 429.912 1.626 20 0 IDADMO COc1nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164745886 720755578 /nfs/dbraw/zinc/75/55/78/720755578.db2.gz WFVTVOZSMWIQJI-DLBZAZTESA-N 1 1 426.525 1.393 20 0 IDADMO COc1nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164745889 720757083 /nfs/dbraw/zinc/75/70/83/720757083.db2.gz WFVTVOZSMWIQJI-IRXDYDNUSA-N 1 1 426.525 1.393 20 0 IDADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164737911 720759794 /nfs/dbraw/zinc/75/97/94/720759794.db2.gz DKZAZAKYHGLEHL-SJORKVTESA-N 1 1 432.550 1.244 20 0 IDADMO O=S(=O)(c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1)N1CCCCC1 ZINC001164742879 720760600 /nfs/dbraw/zinc/76/06/00/720760600.db2.gz OYJUQFOSTZFAEN-QZTJIDSGSA-N 1 1 444.561 1.388 20 0 IDADMO CCC(CC)NS(=O)(=O)c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164739475 720768132 /nfs/dbraw/zinc/76/81/32/720768132.db2.gz IVBJRFUHZKGTRS-MSOLQXFVSA-N 1 1 446.577 1.680 20 0 IDADMO O=C(c1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(Cl)c1)N1CCOCC1 ZINC001164741120 720771771 /nfs/dbraw/zinc/77/17/71/720771771.db2.gz MHBSDMYQJSLUGC-IRXDYDNUSA-N 1 1 444.923 1.339 20 0 IDADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739171 720815855 /nfs/dbraw/zinc/81/58/55/720815855.db2.gz HKZVCTHJZZATOW-JTDSTZFVSA-N 1 1 436.520 1.667 20 0 IDADMO COC(=O)c1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164739171 720815857 /nfs/dbraw/zinc/81/58/57/720815857.db2.gz HKZVCTHJZZATOW-JTDSTZFVSA-N 1 1 436.520 1.667 20 0 IDADMO COC(=O)c1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164739171 720815859 /nfs/dbraw/zinc/81/58/59/720815859.db2.gz HKZVCTHJZZATOW-JTDSTZFVSA-N 1 1 436.520 1.667 20 0 IDADMO COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739168 720815874 /nfs/dbraw/zinc/81/58/74/720815874.db2.gz HKZVCTHJZZATOW-GPMSIDNRSA-N 1 1 436.520 1.667 20 0 IDADMO COC(=O)c1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164739168 720815878 /nfs/dbraw/zinc/81/58/78/720815878.db2.gz HKZVCTHJZZATOW-GPMSIDNRSA-N 1 1 436.520 1.667 20 0 IDADMO COC(=O)c1cc2c(ncnc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH]1 ZINC001164739168 720815879 /nfs/dbraw/zinc/81/58/79/720815879.db2.gz HKZVCTHJZZATOW-GPMSIDNRSA-N 1 1 436.520 1.667 20 0 IDADMO NC(=O)c1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164739215 720819763 /nfs/dbraw/zinc/81/97/63/720819763.db2.gz HTBBCJWGNBADDU-GRDNDAEWSA-N 1 1 433.919 1.944 20 0 IDADMO COC(=O)c1nc(Cl)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741817 720830573 /nfs/dbraw/zinc/83/05/73/720830573.db2.gz OKIUMDBKOGPHER-BZUAXINKSA-N 1 1 431.928 1.888 20 0 IDADMO CON(C)C(=O)c1cc(C)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748223 720841163 /nfs/dbraw/zinc/84/11/63/720841163.db2.gz SJXJIXJIGSCGGT-SVFBPWRDSA-N 1 1 439.564 1.994 20 0 IDADMO COCC[N@H+]1CCO[C@H]2CN(c3nc4scnc4c(N4CCOCC4)n3)CC[C@H]2C1 ZINC001164855371 720845557 /nfs/dbraw/zinc/84/55/57/720845557.db2.gz UCZUQRPPJNZRLQ-HOTGVXAUSA-N 1 1 434.566 1.096 20 0 IDADMO O=c1ccccn1-c1nccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742488 720850177 /nfs/dbraw/zinc/85/01/77/720850177.db2.gz GXQYXHJTMZOJHR-VAMGGRTRSA-N 1 1 432.532 1.598 20 0 IDADMO O=c1ccccn1-c1nccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164742489 720850528 /nfs/dbraw/zinc/85/05/28/720850528.db2.gz GXQYXHJTMZOJHR-XUVXKRRUSA-N 1 1 432.532 1.598 20 0 IDADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4nc3N3CCOCC3)CC[C@@H]2C1 ZINC001164858230 720853213 /nfs/dbraw/zinc/85/32/13/720853213.db2.gz RRVQHDFLOROPPQ-WIYYLYMNSA-N 1 1 427.549 1.640 20 0 IDADMO COC(=O)c1ncnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1OC ZINC001164744550 720861354 /nfs/dbraw/zinc/86/13/54/720861354.db2.gz BSSUAEULPCHCLO-YESZJQIVSA-N 1 1 427.509 1.243 20 0 IDADMO CCOC(=O)C1CCN(c2ccc(N3CC[C@@H]4C[N@@H+](CCOC)CCO[C@@H]4C3)nn2)CC1 ZINC001164860884 720865007 /nfs/dbraw/zinc/86/50/07/720865007.db2.gz XFNZYCOCORNMJL-WOJBJXKFSA-N 1 1 447.580 1.430 20 0 IDADMO COCC[N@H+]1CCO[C@H]2CN(c3nccnc3N3CCC(C(=O)OC)CC3)CC[C@H]2C1 ZINC001164852357 720865070 /nfs/dbraw/zinc/86/50/70/720865070.db2.gz CLXMGQMHSLWTRI-OALUTQOASA-N 1 1 433.553 1.040 20 0 IDADMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3cc(C(=O)OC)n4C)CC[C@@H]2C1 ZINC001164857439 720871748 /nfs/dbraw/zinc/87/17/48/720871748.db2.gz JOQZJFNVFFSYRB-CZUORRHYSA-N 1 1 437.928 1.582 20 0 IDADMO COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)nc(N4CCCC4)n3)CC[C@@H]2C1 ZINC001164860457 720874484 /nfs/dbraw/zinc/87/44/84/720874484.db2.gz ONULXUAKSYHWJJ-MOPGFXCFSA-N 1 1 431.585 1.246 20 0 IDADMO CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164859896 720875500 /nfs/dbraw/zinc/87/55/00/720875500.db2.gz MZPKTERPNSLLCY-MJGOQNOKSA-N 1 1 426.583 1.286 20 0 IDADMO C[NH+]1CCN(c2nccc(N3CC[C@@]4(C3)C[C@@H](NC(=O)c3ccccc3)CCO4)n2)CC1 ZINC001164854320 720901973 /nfs/dbraw/zinc/90/19/73/720901973.db2.gz DVRILTCLNLQZOA-RDPSFJRHSA-N 1 1 436.560 1.786 20 0 IDADMO C[NH+]1CCN(c2nccc(N3CC[C@]4(C3)C[C@H](NC(=O)c3ccccc3)CCO4)n2)CC1 ZINC001164854318 720902020 /nfs/dbraw/zinc/90/20/20/720902020.db2.gz DVRILTCLNLQZOA-HYBUGGRVSA-N 1 1 436.560 1.786 20 0 IDADMO CNC(=O)c1ccc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nn1 ZINC001164747212 720923850 /nfs/dbraw/zinc/92/38/50/720923850.db2.gz CCPJFDDLCGTVTH-YKSBVNFPSA-N 1 1 436.560 1.986 20 0 IDADMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc3c(ncn3C)c(N3CCOCC3)n1)[C@@H]2C ZINC001164863187 720944522 /nfs/dbraw/zinc/94/45/22/720944522.db2.gz YPBWYFLUTQCCCP-MRXNPFEDSA-N 1 1 439.568 1.818 20 0 IDADMO Clc1nc(N2CCOCC2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164866110 721063549 /nfs/dbraw/zinc/06/35/49/721063549.db2.gz CUNAZPTUMGDCBM-IAGOWNOFSA-N 1 1 431.928 1.236 20 0 IDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5scnc5c(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164766537 721100571 /nfs/dbraw/zinc/10/05/71/721100571.db2.gz KTMQLDUWFNMITC-IRXDYDNUSA-N 1 1 440.577 1.615 20 0 IDADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncccc4S(=O)(=O)N4CCCC4)C[C@@H]3C2)cn1 ZINC001164772879 721168126 /nfs/dbraw/zinc/16/81/26/721168126.db2.gz VWLREZGTPOWVIM-MOPGFXCFSA-N 1 1 430.578 1.558 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772392 721190864 /nfs/dbraw/zinc/19/08/64/721190864.db2.gz ULSABNXUZBQTMW-KHFRWJKUSA-N 1 1 432.550 1.083 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164772392 721190866 /nfs/dbraw/zinc/19/08/66/721190866.db2.gz ULSABNXUZBQTMW-KHFRWJKUSA-N 1 1 432.550 1.083 20 0 IDADMO CCN(CC)S(=O)(=O)c1ccc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164762029 721196955 /nfs/dbraw/zinc/19/69/55/721196955.db2.gz BYDLQLUCZPKAKE-RTBURBONSA-N 1 1 432.594 1.804 20 0 IDADMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(C(=O)NC5CCOCC5)nn4)C[C@H]3C2)cn1 ZINC001164769279 721219303 /nfs/dbraw/zinc/21/93/03/721219303.db2.gz LXJLGQMBWMXLSC-QZTJIDSGSA-N 1 1 425.537 1.077 20 0 IDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)nc4c3COC4(C)C)CC2)C1 ZINC001164868999 721268769 /nfs/dbraw/zinc/26/87/69/721268769.db2.gz ISPCUFFZSSOGCV-UHFFFAOYSA-N 1 1 437.972 1.902 20 0 IDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)c3cc(N)cc(Cl)n3)CC2)C1 ZINC001164874439 721276607 /nfs/dbraw/zinc/27/66/07/721276607.db2.gz RRMDZPLHEUMTKM-UHFFFAOYSA-N 1 1 431.915 1.869 20 0 IDADMO CCOC(=O)/C=C/c1ccc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc1 ZINC001164873551 721279559 /nfs/dbraw/zinc/27/95/59/721279559.db2.gz OIISHOPGVBOADK-SOFGYWHQSA-N 1 1 430.549 1.665 20 0 IDADMO CN(C)C(=O)C[N@H+]1CCOCC2(CCN(C(F)(F)COc3ccc(Cl)nn3)CC2)C1 ZINC001164872914 721285352 /nfs/dbraw/zinc/28/53/52/721285352.db2.gz IGSPRUJBQBCOBR-UHFFFAOYSA-N 1 1 447.914 1.604 20 0 IDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(N)=O)n3)C2)C1 ZINC001164780053 721345157 /nfs/dbraw/zinc/34/51/57/721345157.db2.gz ZEENQKABCXJVOO-HXUWFJFHSA-N 1 1 434.928 1.953 20 0 IDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cc(C(N)=O)n3)C2)C1 ZINC001164780053 721345159 /nfs/dbraw/zinc/34/51/59/721345159.db2.gz ZEENQKABCXJVOO-HXUWFJFHSA-N 1 1 434.928 1.953 20 0 IDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C(N)=O)C2)C1 ZINC001164781478 721356113 /nfs/dbraw/zinc/35/61/13/721356113.db2.gz JLVXUOLNCHJRSE-FQEVSTJZSA-N 1 1 434.928 1.953 20 0 IDADMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C(N)=O)C2)C1 ZINC001164781478 721356114 /nfs/dbraw/zinc/35/61/14/721356114.db2.gz JLVXUOLNCHJRSE-FQEVSTJZSA-N 1 1 434.928 1.953 20 0 IDADMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(S(N)(=O)=O)ccn3)C2)C1 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20 0 IDADMO CCc1cc(N2C[C@@H]3[C@H](C2)OCCN3Cc2c(C)noc2C)nc(N2CCOCC2)[nH+]1 ZINC001164942222 721950978 /nfs/dbraw/zinc/95/09/78/721950978.db2.gz DMFLAEHNLUFAJZ-UXHICEINSA-N 1 1 428.537 1.570 20 0 IDADMO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@H]2C1 ZINC001164950199 721988491 /nfs/dbraw/zinc/98/84/91/721988491.db2.gz JEULSJHXFRMOQW-RDJZCZTQSA-N 1 1 428.002 1.895 20 0 IDADMO CN1CCN(c2cccc(N(C[C@H]3CCC[C@@]4(CC[NH2+]C4)O3)S(=O)(=O)C3CC3)n2)CC1 ZINC001164948964 721991298 /nfs/dbraw/zinc/99/12/98/721991298.db2.gz FPADOAADSOCJAM-GCJKJVERSA-N 1 1 449.621 1.433 20 0 IDADMO Cn1ccnc1C(=O)N[C@H]1CN(c2cc(OC3CC[NH+](C)CC3)ccn2)[C@H]2CCCO[C@@H]12 ZINC001164975436 722093750 /nfs/dbraw/zinc/09/37/50/722093750.db2.gz GLXZWNKGDFVVQD-ZJOUEHCJSA-N 1 1 440.548 1.454 20 0 IDADMO O=C(c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1)N1CCOCC1 ZINC001164977210 722102199 /nfs/dbraw/zinc/10/21/99/722102199.db2.gz FCRCDUXSUXMUJC-FCHUYYIVSA-N 1 1 437.544 1.676 20 0 IDADMO CCOC(=O)c1cnc(OC)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164971011 722113011 /nfs/dbraw/zinc/11/30/11/722113011.db2.gz BBRVAGQPNFGFEG-PKOBYXMFSA-N 1 1 427.505 1.784 20 0 IDADMO COC(=O)c1nc2cnccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972462 722126458 /nfs/dbraw/zinc/12/64/58/722126458.db2.gz FQLQFLZEIYBWOT-XLIONFOSSA-N 1 1 434.500 1.934 20 0 IDADMO CC(C)NS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164980323 722141106 /nfs/dbraw/zinc/14/11/06/722141106.db2.gz MUIZPZDHUNNACS-FPOVZHCZSA-N 1 1 445.589 1.891 20 0 IDADMO O=S(=O)(NC1CC1)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164972836 722142217 /nfs/dbraw/zinc/14/22/17/722142217.db2.gz AXIWHFDEDXLING-NQIIRXRSSA-N 1 1 443.573 1.645 20 0 IDADMO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994063 722209698 /nfs/dbraw/zinc/20/96/98/722209698.db2.gz FBTXAAOCVQHVAZ-NRFANRHFSA-N 1 1 448.520 1.900 20 0 IDADMO C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)ccc2S(C)(=O)=O)CC3)CC1 ZINC001165002704 722236453 /nfs/dbraw/zinc/23/64/53/722236453.db2.gz XKXYPNSCFIUHPJ-UHFFFAOYSA-N 1 1 436.969 1.286 20 0 IDADMO COC(=O)c1c(Cl)cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c1OC ZINC001165002666 722236599 /nfs/dbraw/zinc/23/65/99/722236599.db2.gz XAHHYRLRNVYIHJ-UHFFFAOYSA-N 1 1 446.939 1.677 20 0 IDADMO Cc1cc(NC(=O)c2cccnc2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)no1 ZINC001165002181 722236934 /nfs/dbraw/zinc/23/69/34/722236934.db2.gz QBOJZTJTPKIPDU-UHFFFAOYSA-N 1 1 448.531 1.777 20 0 IDADMO CCNC(=O)c1cc(Cl)nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001165004743 722240094 /nfs/dbraw/zinc/24/00/94/722240094.db2.gz QKVIHPCGXJHVEC-UHFFFAOYSA-N 1 1 430.944 1.027 20 0 IDADMO C[N@@H+](Cc1ccc(N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)nc1)C1CC1 ZINC001165005102 722241634 /nfs/dbraw/zinc/24/16/34/722241634.db2.gz RMRNTFTZRDXGMP-SFHVURJKSA-N 1 1 432.532 1.729 20 0 IDADMO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023819321 557118949 /nfs/dbraw/zinc/11/89/49/557118949.db2.gz BEAVUPUXXNPCIC-UHFFFAOYSA-N 1 1 445.541 1.471 20 0 IDADMO CCOC(=O)C1CC[NH+](C2CCN(c3cc(Cl)nc(S(C)(=O)=O)n3)CC2)CC1 ZINC001164618247 719020719 /nfs/dbraw/zinc/02/07/19/719020719.db2.gz RPLQLYMTZNDMQI-UHFFFAOYSA-N 1 1 430.958 1.777 20 0 IDADMO COCCN1CC[N@H+](C)C2(CCN(c3ncnc4cc(OC)cc(OC)c43)CC2)C1=O ZINC001164640789 719275627 /nfs/dbraw/zinc/27/56/27/719275627.db2.gz PFQRVRICQZIGPF-UHFFFAOYSA-N 1 1 429.521 1.406 20 0 IDADMO COCCN1CC[N@@H+](C)C2(CCN(c3ncnc4cc(OC)cc(OC)c43)CC2)C1=O ZINC001164640789 719275631 /nfs/dbraw/zinc/27/56/31/719275631.db2.gz PFQRVRICQZIGPF-UHFFFAOYSA-N 1 1 429.521 1.406 20 0 IDADMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncccc1S(=O)(=O)N1CCOCC1)CC2 ZINC001164649672 719313399 /nfs/dbraw/zinc/31/33/99/719313399.db2.gz QGLZMSSAQCTSJA-UHFFFAOYSA-N 1 1 448.593 1.504 20 0 IDADMO CCOC(=O)c1cnc([S@](C)=O)nc1N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164650456 719314454 /nfs/dbraw/zinc/31/44/54/719314454.db2.gz 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1.722 20 0 IDADMO CCC(C)(C)NS(=O)(=O)c1ccc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc1 ZINC001164857483 720878469 /nfs/dbraw/zinc/87/84/69/720878469.db2.gz JTUUXJPFHHBLNW-MJGOQNOKSA-N 1 1 440.610 1.722 20 0 IDADMO Cn1nnc2c1ncnc2N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753127 720911574 /nfs/dbraw/zinc/91/15/74/720911574.db2.gz QFSXPZDCMIXPDB-XXBNENTESA-N 1 1 434.548 1.908 20 0 IDADMO c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(N5CCOCC5)nc5c4CCN5)CC[N@H+]3C2)c1 ZINC001164871393 721069950 /nfs/dbraw/zinc/06/99/50/721069950.db2.gz YMZXORBIRKWXEC-MOPGFXCFSA-N 1 1 437.548 1.156 20 0 IDADMO CN1c2cnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164866317 721092532 /nfs/dbraw/zinc/09/25/32/721092532.db2.gz SDEGOBFIRLJCLJ-QYZOEREBSA-N 1 1 435.532 1.297 20 0 IDADMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncccc4S(=O)(=O)N4CCCCC4)C[C@@H]3C2)cn1 ZINC001164766873 721221673 /nfs/dbraw/zinc/22/16/73/721221673.db2.gz JLOWXFZKQMUYLA-PMACEKPBSA-N 1 1 444.605 1.948 20 0 IDADMO c1ccc(C[N@@H+]2CCc3c(ncnc3N3C[C@@H]4[C@H](C3)OCCN4c3cnccn3)C2)cc1 ZINC001164759794 721261763 /nfs/dbraw/zinc/26/17/63/721261763.db2.gz BXJXHNJVPBPGRZ-YADHBBJMSA-N 1 1 429.528 1.919 20 0 IDADMO c1ccc(C[N@H+]2CCc3c(ncnc3N3C[C@@H]4[C@H](C3)OCCN4c3cnccn3)C2)cc1 ZINC001164759794 721261764 /nfs/dbraw/zinc/26/17/64/721261764.db2.gz BXJXHNJVPBPGRZ-YADHBBJMSA-N 1 1 429.528 1.919 20 0 IDADMO COc1cc(C)c2ncnc(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c2c1 ZINC001164879137 721294093 /nfs/dbraw/zinc/29/40/93/721294093.db2.gz VHIYYSIVTMYIMY-UHFFFAOYSA-N 1 1 427.549 1.954 20 0 IDADMO C[NH+]1CCN(c2nccc(N(c3ccccn3)c3ccnc([C@@H]4COCCN4)n3)n2)CC1 ZINC001164876330 721330008 /nfs/dbraw/zinc/33/00/08/721330008.db2.gz OHDCMVWCVNUAME-KRWDZBQOSA-N 1 1 433.520 1.544 20 0 IDADMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(Cl)nc(S(C)(=O)=O)n4)C3)O2)CC1 ZINC001164889863 721380198 /nfs/dbraw/zinc/38/01/98/721380198.db2.gz MRJKSUBAGAFHAH-BEFAXECRSA-N 1 1 444.001 1.299 20 0 IDADMO 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CCOC(=O)c1cnc(N2CCOCC2)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164781200 721420104 /nfs/dbraw/zinc/42/01/04/721420104.db2.gz CTFFBPGWOOLVEE-IYBDPMFKSA-N 1 1 444.561 1.515 20 0 IDADMO O=S(=O)(c1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1)N1CCOCC1 ZINC001164782701 721425898 /nfs/dbraw/zinc/42/58/98/721425898.db2.gz HJYODYIAKWKRIA-HZPDHXFCSA-N 1 1 435.575 1.127 20 0 IDADMO CN(C)S(=O)(=O)c1ccc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)nc1 ZINC001164899834 721433388 /nfs/dbraw/zinc/43/33/88/721433388.db2.gz ZGGDYFUQOQJESD-RXVVDRJESA-N 1 1 437.610 1.097 20 0 IDADMO Cn1cnc2c1[C@H](COCc1cccnc1)N(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164781346 721442441 /nfs/dbraw/zinc/44/24/41/721442441.db2.gz FNLRMCBZUSSZNL-FQEVSTJZSA-N 1 1 434.548 1.678 20 0 IDADMO CN1CCc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c2C1 ZINC001164892021 721447734 /nfs/dbraw/zinc/44/77/34/721447734.db2.gz VSDBSHNRHJNULZ-VGOFRKELSA-N 1 1 435.016 1.883 20 0 IDADMO CN1CCc2nc(Cl)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c2C1 ZINC001164892019 721447772 /nfs/dbraw/zinc/44/77/72/721447772.db2.gz VSDBSHNRHJNULZ-HTAPYJJXSA-N 1 1 435.016 1.883 20 0 IDADMO C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4OCC[C@H](C(=O)N5CCCO5)[C@@H]4C3)c2)CC1 ZINC001164790907 721483121 /nfs/dbraw/zinc/48/31/21/721483121.db2.gz HOFWIMZJAHEMHE-ACRUOGEOSA-N 1 1 430.549 1.950 20 0 IDADMO O=C(c1cccnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCNCC1 ZINC001164906853 721543175 /nfs/dbraw/zinc/54/31/75/721543175.db2.gz LOHSHDQMNQCSHF-ICSRJNTNSA-N 1 1 425.508 1.608 20 0 IDADMO O=C(c1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCNCC1 ZINC001164906853 721543179 /nfs/dbraw/zinc/54/31/79/721543179.db2.gz LOHSHDQMNQCSHF-ICSRJNTNSA-N 1 1 425.508 1.608 20 0 IDADMO CCOC(=O)c1cnc(OC)nc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802341 721549492 /nfs/dbraw/zinc/54/94/92/721549492.db2.gz GBDSLTCLMVDZDC-CEXWTWQISA-N 1 1 427.505 1.925 20 0 IDADMO CCOC(=O)c1cnc(OC)nc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164802341 721549494 /nfs/dbraw/zinc/54/94/94/721549494.db2.gz GBDSLTCLMVDZDC-CEXWTWQISA-N 1 1 427.505 1.925 20 0 IDADMO CN1c2cnc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2N2CCC[C@H]2C1=O ZINC001164804692 721557013 /nfs/dbraw/zinc/55/70/13/721557013.db2.gz MGSJZJPGKKSUKK-JYAXBFRTSA-N 1 1 449.559 1.685 20 0 IDADMO CN1c2cnc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@@H]4OCCC[C@@H]43)nc2N2CCC[C@H]2C1=O ZINC001164804692 721557016 /nfs/dbraw/zinc/55/70/16/721557016.db2.gz MGSJZJPGKKSUKK-JYAXBFRTSA-N 1 1 449.559 1.685 20 0 IDADMO NS(=O)(=O)c1ccc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907248 721560782 /nfs/dbraw/zinc/56/07/82/721560782.db2.gz NDMHUJAMMHHTST-HIFRSBDPSA-N 1 1 426.901 1.863 20 0 IDADMO CN(C)S(=O)(=O)c1ccc(N2C[C@@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164809852 721576886 /nfs/dbraw/zinc/57/68/86/721576886.db2.gz XOADPAPYFFZKRS-ZVDOUQERSA-N 1 1 431.562 1.595 20 0 IDADMO CN(C)S(=O)(=O)c1ccc(N2C[C@@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 ZINC001164809852 721576888 /nfs/dbraw/zinc/57/68/88/721576888.db2.gz XOADPAPYFFZKRS-ZVDOUQERSA-N 1 1 431.562 1.595 20 0 IDADMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)[C@H]2CCCO[C@H]12 ZINC001164803435 721585812 /nfs/dbraw/zinc/58/58/12/721585812.db2.gz ICMPMTAJVIPYPF-DAYGRLMNSA-N 1 1 437.953 1.646 20 0 IDADMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)ccc2S(N)(=O)=O)[C@H]2CCCO[C@H]12 ZINC001164803435 721585817 /nfs/dbraw/zinc/58/58/17/721585817.db2.gz ICMPMTAJVIPYPF-DAYGRLMNSA-N 1 1 437.953 1.646 20 0 IDADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@H]2COC[C@@H]21)c1cnccn1 ZINC001164799786 721598347 /nfs/dbraw/zinc/59/83/47/721598347.db2.gz KHRYHTASDMVQLO-NXHRZFHOSA-N 1 1 428.924 1.754 20 0 IDADMO O=C(N[C@@H]1CN(c2nc(Cl)ccc2C[NH+]2CCCC2)[C@@H]2COC[C@H]12)c1cnccn1 ZINC001164799784 721598414 /nfs/dbraw/zinc/59/84/14/721598414.db2.gz KHRYHTASDMVQLO-KBAYOESNSA-N 1 1 428.924 1.754 20 0 IDADMO C[NH+]1CCN(c2nccc(N3CCO[C@@H]4[C@H](OCCCn5cccn5)CC[C@@H]43)n2)CC1 ZINC001165018720 721782258 /nfs/dbraw/zinc/78/22/58/721782258.db2.gz JUOLPIKQLJURKB-ZVDOUQERSA-N 1 1 427.553 1.268 20 0 IDADMO C[NH+]1CCN(c2nccc(N3CCC(F)(F)[C@@]4(CCN(c5cnccn5)C4)C3)n2)CC1 ZINC001164917413 721802905 /nfs/dbraw/zinc/80/29/05/721802905.db2.gz WKNWEXZPUAFBST-FQEVSTJZSA-N 1 1 430.507 1.761 20 0 IDADMO Cc1nc(CN2CCOC[C@@]3(CN(c4[nH+]ccc5c4NC(=O)CO5)CCO3)C2)cs1 ZINC001164923961 721828327 /nfs/dbraw/zinc/82/83/27/721828327.db2.gz KIRURMWYUWKZLP-FQEVSTJZSA-N 1 1 431.518 1.285 20 0 IDADMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164922376 721874770 /nfs/dbraw/zinc/87/47/70/721874770.db2.gz GEPZUIWYYSKYHW-RBUKOAKNSA-N 1 1 431.562 1.887 20 0 IDADMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc(Oc2ccc(S(C)(=O)=O)cc2)n1 ZINC001164922376 721874772 /nfs/dbraw/zinc/87/47/72/721874772.db2.gz GEPZUIWYYSKYHW-RBUKOAKNSA-N 1 1 431.562 1.887 20 0 IDADMO COc1nc(N2CC[NH+](CCOc3ccccc3)CC2)nc(N2CCn3ccnc3C2)n1 ZINC001165044246 721961266 /nfs/dbraw/zinc/96/12/66/721961266.db2.gz GTALOMXJKKDHJH-UHFFFAOYSA-N 1 1 436.520 1.298 20 0 IDADMO CN(C)S(=O)(=O)N1CC[C@H]2CN(c3nc(Cl)ccc3C[NH+]3CCCC3)C[C@@H]2C1 ZINC001164950187 721988440 /nfs/dbraw/zinc/98/84/40/721988440.db2.gz JEULSJHXFRMOQW-DOTOQJQBSA-N 1 1 428.002 1.895 20 0 IDADMO COC[C@]12COC[C@H]1CN(c1nccc(NC(=O)C(C)(C)C)c1C[N@H+]1CC[C@H](CO)C1)C2 ZINC001164954476 721993966 /nfs/dbraw/zinc/99/39/66/721993966.db2.gz WESGQHVQIACFKZ-HOOSLVGPSA-N 1 1 446.592 1.980 20 0 IDADMO CCOC(=O)c1cnc(N2CCOCC2)nc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165056312 722015682 /nfs/dbraw/zinc/01/56/82/722015682.db2.gz SIJLUMSDLULGIO-UHFFFAOYSA-N 1 1 426.521 1.250 20 0 IDADMO CN(C)C(=O)CN1C[C@H]2CC[N@H+](C(C)(C)c3ccnc(Cl)c3)CC[C@@H]2S1(=O)=O ZINC001164974249 722087866 /nfs/dbraw/zinc/08/78/66/722087866.db2.gz PVXJKIUSFCWTOU-ZBFHGGJFSA-N 1 1 428.986 1.784 20 0 IDADMO C[NH+]1CCN(c2nccc(N3C[C@@H]4CN(S(C)(=O)=O)c5ccccc5[C@@H]4C3)n2)CC1 ZINC001164975890 722090886 /nfs/dbraw/zinc/09/08/86/722090886.db2.gz RMVQMKUZFRNCGJ-SJLPKXTDSA-N 1 1 428.562 1.228 20 0 IDADMO COC(=O)c1ccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1C(=O)OC ZINC001164977314 722103943 /nfs/dbraw/zinc/10/39/43/722103943.db2.gz FTPJLYUGVBYIKO-IEBWSBKVSA-N 1 1 440.500 1.777 20 0 IDADMO CN1c2cnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nc2N2CCC[C@H]2C1=O ZINC001164979835 722120369 /nfs/dbraw/zinc/12/03/69/722120369.db2.gz QIUMQURIMSXUIH-DYXWJJEUSA-N 1 1 449.559 1.544 20 0 IDADMO COC(=O)c1cc2cnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2n1C ZINC001164977059 722137705 /nfs/dbraw/zinc/13/77/05/722137705.db2.gz IFARYCQRFUGHII-FXAWDEMLSA-N 1 1 436.516 1.877 20 0 IDADMO CCNS(=O)(=O)c1ccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164984635 722140799 /nfs/dbraw/zinc/14/07/99/722140799.db2.gz YDBXFDPCKZCBNZ-AZUAARDMSA-N 1 1 431.562 1.502 20 0 IDADMO Cc1nc(CN2CCO[C@H]3CCN(c4cc[nH+]c(N5CCOCC5)n4)CC[C@H]32)cs1 ZINC001164986843 722183968 /nfs/dbraw/zinc/18/39/68/722183968.db2.gz FFPIMISBBNTLMN-MOPGFXCFSA-N 1 1 430.578 1.948 20 0 IDADMO COC(=O)c1ccc2c(c1)ncnc2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996415 722230249 /nfs/dbraw/zinc/23/02/49/722230249.db2.gz FZLLYWWIIINZDB-UHFFFAOYSA-N 1 1 433.516 1.563 20 0 IDADMO C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 ZINC001198229690 1126155562 /nfs/dbraw/zinc/15/55/62/1126155562.db2.gz LITWNIQLEYHGSG-IBGZPJMESA-N 1 1 435.937 1.803 20 0 IDADMO CN(C)S(=O)(=O)n1ccnc1C[NH2+][C@](C)(CO)Cc1ccc(Br)cc1 ZINC001621463300 1126246463 /nfs/dbraw/zinc/24/64/63/1126246463.db2.gz ULYWBFJBUDAMPG-INIZCTEOSA-N 1 1 431.356 1.383 20 0 IDADMO