smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)cc1 ZINC000004997656 557622980 /nfs/dbraw/zinc/62/29/80/557622980.db2.gz BFGFNKJQXUMVDP-UHFFFAOYSA-N 1 1 407.562 3.827 50 10 HHCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@H](C)NC(=O)C(C)C)CC2)cc1 ZINC000097546845 557824036 /nfs/dbraw/zinc/82/40/36/557824036.db2.gz KYPZNYQKXAMDOM-LAUBAEHRSA-N 1 1 401.576 3.781 50 10 HHCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4cc(OC)ccc4F)C3)CC2)cc1 ZINC000020784515 558413589 /nfs/dbraw/zinc/41/35/89/558413589.db2.gz YBDINVRDPHKWIC-NRFANRHFSA-N 1 1 413.537 3.630 50 10 HHCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cc(OC)ccc4F)C3)CC2)cc1 ZINC000020784515 558413591 /nfs/dbraw/zinc/41/35/91/558413591.db2.gz YBDINVRDPHKWIC-NRFANRHFSA-N 1 1 413.537 3.630 50 10 HHCAMO C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCN(C)CC2)cc1 ZINC000095454548 568616431 /nfs/dbraw/zinc/61/64/31/568616431.db2.gz NVWBQYFPWINGRV-KMFTYDHNSA-N 1 1 401.595 3.990 50 10 HHCAMO Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000096006418 568682646 /nfs/dbraw/zinc/68/26/46/568682646.db2.gz HWOSFDZRMGBETF-XMMPIXPASA-N 1 1 403.526 3.591 50 10 HHCAMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000038588973 569002127 /nfs/dbraw/zinc/00/21/27/569002127.db2.gz XBRNNHVGYWKOMJ-UHFFFAOYSA-N 1 1 422.451 3.658 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@H]43)c2o1 ZINC000526052537 569239778 /nfs/dbraw/zinc/23/97/78/569239778.db2.gz MJNBWCXFQYNSNU-HSJYVMOXSA-N 1 1 406.526 3.894 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@H]43)c2o1 ZINC000526052537 569239779 /nfs/dbraw/zinc/23/97/79/569239779.db2.gz MJNBWCXFQYNSNU-HSJYVMOXSA-N 1 1 406.526 3.894 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@H]43)c2o1 ZINC000526052537 569239780 /nfs/dbraw/zinc/23/97/80/569239780.db2.gz MJNBWCXFQYNSNU-HSJYVMOXSA-N 1 1 406.526 3.894 50 10 HHCAMO Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000000686189 132230860 /nfs/dbraw/zinc/23/08/60/132230860.db2.gz YBNHXTYCMKBXPC-DEDYPNTBSA-N 1 1 416.506 3.629 50 10 HHCAMO CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665198 557713786 /nfs/dbraw/zinc/71/37/86/557713786.db2.gz CFGXFEUHAYDEAR-RUZDIDTESA-N 1 1 420.601 3.922 50 10 HHCAMO CCCCCCN1C(=O)NC(=O)C(=CNC2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000019949840 558314751 /nfs/dbraw/zinc/31/47/51/558314751.db2.gz MLVMSAHZSBXQGQ-SILNSSARSA-N 1 1 412.534 3.624 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@@H]56)[C@H]43)c2o1 ZINC000526052538 560640188 /nfs/dbraw/zinc/64/01/88/560640188.db2.gz MJNBWCXFQYNSNU-ORVPSHMPSA-N 1 1 406.526 3.894 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@H]43)c2o1 ZINC000526052538 560640190 /nfs/dbraw/zinc/64/01/90/560640190.db2.gz MJNBWCXFQYNSNU-ORVPSHMPSA-N 1 1 406.526 3.894 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@H]43)c2o1 ZINC000526052538 560640191 /nfs/dbraw/zinc/64/01/91/560640191.db2.gz MJNBWCXFQYNSNU-ORVPSHMPSA-N 1 1 406.526 3.894 50 10 HHCAMO C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)c1ccc(N2CCN(C)CC2)cc1 ZINC000095454547 568616331 /nfs/dbraw/zinc/61/63/31/568616331.db2.gz NVWBQYFPWINGRV-PELRDEGISA-N 1 1 401.595 3.990 50 10 HHCAMO CC(C)(C)c1c(O)c(CN2CCOCC2(C)C)cc(O)c1C[N@H+]1CCOCC1(C)C ZINC000095985521 568675837 /nfs/dbraw/zinc/67/58/37/568675837.db2.gz RDJGKVPPARHTNF-UHFFFAOYSA-N 1 1 420.594 3.617 50 10 HHCAMO COc1ccc(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)c(O)c1 ZINC000299787818 568875655 /nfs/dbraw/zinc/87/56/55/568875655.db2.gz RACDLZUXOPIZRK-UXHICEINSA-N 1 1 418.534 3.800 50 10 HHCAMO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000006517570 569042732 /nfs/dbraw/zinc/04/27/32/569042732.db2.gz FJKKGIYVDZUNMO-VJTSUQJLSA-N 1 1 413.606 3.823 50 10 biogenic HHCAMO COCCC[N@H+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000524729194 569051547 /nfs/dbraw/zinc/05/15/47/569051547.db2.gz IDVMIFUOORNCTR-PZJWPPBQSA-N 1 1 414.546 3.602 50 10 HHCAMO COCCC[NH+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524729194 569051548 /nfs/dbraw/zinc/05/15/48/569051548.db2.gz IDVMIFUOORNCTR-PZJWPPBQSA-N 1 1 414.546 3.602 50 10 HHCAMO COCCC[NH+](Cc1c([O-])ccc2ccc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729194 569051549 /nfs/dbraw/zinc/05/15/49/569051549.db2.gz IDVMIFUOORNCTR-PZJWPPBQSA-N 1 1 414.546 3.602 50 10 HHCAMO CN(C)c1ccc(/C=C2/C[N@@H+](C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000252617561 569301750 /nfs/dbraw/zinc/30/17/50/569301750.db2.gz KVNFFOLWJOTXDB-YBARDXGBSA-N 1 1 403.574 3.806 50 10 HHCAMO CN(C)c1ccc(/C=C2/CN(C)C[C@@H]3C2=[NH+]N(C)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000252617561 569301752 /nfs/dbraw/zinc/30/17/52/569301752.db2.gz KVNFFOLWJOTXDB-YBARDXGBSA-N 1 1 403.574 3.806 50 10 HHCAMO CN1CCCc2cc([C@@H](CNS(=O)(=O)c3cccs3)[NH+]3CCCCC3)ccc21 ZINC000008800165 571120553 /nfs/dbraw/zinc/12/05/53/571120553.db2.gz RBSLAMZDKPSISC-HXUWFJFHSA-N 1 1 419.616 3.636 50 10 HHCAMO COc1ccc(N2CCN(C(=O)CC[N@@H+]3CC=C(c4ccccc4)CC3)CC2)cc1 ZINC000032776716 524407613 /nfs/dbraw/zinc/40/76/13/524407613.db2.gz GKTBGGCABRZMHP-UHFFFAOYSA-N 1 1 405.542 3.523 50 10 HHCAMO CN(C)c1ccc([C@@H](CNC(=O)c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665424 557714996 /nfs/dbraw/zinc/71/49/96/557714996.db2.gz DADRMUXWYIULAN-HSZRJFAPSA-N 1 1 418.541 3.639 50 10 HHCAMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)s1 ZINC000008801637 571120734 /nfs/dbraw/zinc/12/07/34/571120734.db2.gz GUZFGCYFCFWNQM-HXUWFJFHSA-N 1 1 419.616 3.554 50 10 HHCAMO CC(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022665789 557715297 /nfs/dbraw/zinc/71/52/97/557715297.db2.gz ZXRKICSMZINUJP-QHCPKHFHSA-N 1 1 412.553 3.527 50 10 HHCAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000012314833 558378314 /nfs/dbraw/zinc/37/83/14/558378314.db2.gz XAWXLYBIUBJQSI-HXUWFJFHSA-N 1 1 407.986 3.638 50 10 HHCAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000012314833 558378316 /nfs/dbraw/zinc/37/83/16/558378316.db2.gz XAWXLYBIUBJQSI-HXUWFJFHSA-N 1 1 407.986 3.638 50 10 HHCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cccc(C(C)=O)c4)C3)CC2)cc1 ZINC000020906797 558420997 /nfs/dbraw/zinc/42/09/97/558420997.db2.gz TUYCMZGYPAETAZ-DEOSSOPVSA-N 1 1 407.558 3.684 50 10 HHCAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cccc(C(C)=O)c4)C3)CC2)cc1 ZINC000020906797 558421005 /nfs/dbraw/zinc/42/10/05/558421005.db2.gz TUYCMZGYPAETAZ-DEOSSOPVSA-N 1 1 407.558 3.684 50 10 HHCAMO CN(C)c1ccc(/C=C/C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000014990521 558693962 /nfs/dbraw/zinc/69/39/62/558693962.db2.gz ANPFMFOWQIPSPK-RMKNXTFCSA-N 1 1 401.558 3.701 50 10 HHCAMO COc1ccc(OC)c(-c2ccc(O)c(C[NH+]3CCN(C(=O)c4ccco4)CC3)c2)c1 ZINC000014997711 558696648 /nfs/dbraw/zinc/69/66/48/558696648.db2.gz LQANMNURUMQTLY-UHFFFAOYSA-N 1 1 422.481 3.627 50 10 HHCAMO COc1cccc(C(=O)[C@H]2CCC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000039413127 558821166 /nfs/dbraw/zinc/82/11/66/558821166.db2.gz XXULDPCLMYZXSD-IBGZPJMESA-N 1 1 422.525 3.988 50 10 HHCAMO CCN1CCC[C@@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])CC1CC[NH+](CCOC)CC1 ZINC000019229268 558853376 /nfs/dbraw/zinc/85/33/76/558853376.db2.gz RGJOPSQCDWZHPI-JOCHJYFZSA-N 1 1 424.029 3.690 50 10 HHCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000015970838 569025210 /nfs/dbraw/zinc/02/52/10/569025210.db2.gz FJKKGIYVDZUNMO-QLBJFCOMSA-N 1 1 413.606 3.823 50 10 HHCAMO CCN(CC)c1ccc(C[N@@H+]2CCC(=O)N(Cc3ccc(C(=O)OC)cc3)CC2)cc1 ZINC000012244743 962257621 /nfs/dbraw/zinc/25/76/21/962257621.db2.gz URUBMTLTGOYIPJ-UHFFFAOYSA-N 1 1 423.557 3.554 50 10 HHCAMO COc1cccc(C[N@H+]2CCC[C@H](COc3ccccc3C(=O)N3CCCC3)C2)c1O ZINC000169765164 970474062 /nfs/dbraw/zinc/47/40/62/970474062.db2.gz JQEYTRKMVZULDV-IBGZPJMESA-N 1 1 424.541 3.928 50 10 HHCAMO COc1cccc(C[N@H+]2CCC[C@@H](COc3ccccc3C(=O)NC3CC3)C2)c1O ZINC000169765253 970474250 /nfs/dbraw/zinc/47/42/50/970474250.db2.gz YGSMMEDHYKZKIL-QGZVFWFLSA-N 1 1 410.514 3.584 50 10 HHCAMO CSc1ccc2c(c1)[C@@H]([NH+]1CCN(CCCO)CC1)Cc1ccc(O)cc1S2 ZINC000022590954 559015045 /nfs/dbraw/zinc/01/50/45/559015045.db2.gz HLZPAJSIDRQQSZ-FQEVSTJZSA-N 1 1 416.612 3.863 50 10 HHCAMO CN(Cc1ccccc1)[C@H]1CCC[N@H+](C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000022914606 963739088 /nfs/dbraw/zinc/73/90/88/963739088.db2.gz ZBBMACQSQXAEQK-QHCPKHFHSA-N 1 1 407.558 3.981 50 10 HHCAMO C[N@H+](Cc1ccccc1)[C@H]1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000022914606 963739103 /nfs/dbraw/zinc/73/91/03/963739103.db2.gz ZBBMACQSQXAEQK-QHCPKHFHSA-N 1 1 407.558 3.981 50 10 HHCAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000022914606 963739108 /nfs/dbraw/zinc/73/91/08/963739108.db2.gz ZBBMACQSQXAEQK-QHCPKHFHSA-N 1 1 407.558 3.981 50 10 HHCAMO CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022665575 557715091 /nfs/dbraw/zinc/71/50/91/557715091.db2.gz HHKZIPSQVQBOBO-HSZRJFAPSA-N 1 1 412.553 3.671 50 10 HHCAMO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000020887317 558420034 /nfs/dbraw/zinc/42/00/34/558420034.db2.gz UAUCGMOENXFWQM-UHFFFAOYSA-N 1 1 416.930 3.705 50 10 HHCAMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)CCN3C)[NH+]2CCCCC2)s1 ZINC000008801636 571120791 /nfs/dbraw/zinc/12/07/91/571120791.db2.gz GUZFGCYFCFWNQM-FQEVSTJZSA-N 1 1 419.616 3.554 50 10 HHCAMO Cc1ccc(S(=O)(=O)N2CCC[N@@H+](Cc3c(O)ccc4ccccc43)CC2)cc1 ZINC000009548586 571267855 /nfs/dbraw/zinc/26/78/55/571267855.db2.gz NULJRFGKZKJIST-UHFFFAOYSA-N 1 1 410.539 3.750 50 10 HHCAMO CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CN2CC[NH+](C)CC2)c2ccccc12 ZINC000101020624 969195240 /nfs/dbraw/zinc/19/52/40/969195240.db2.gz DGWVQSXPOCYLMR-XQNSMLJCSA-N 1 1 413.525 3.652 50 10 HHCAMO CC(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022665782 132475350 /nfs/dbraw/zinc/47/53/50/132475350.db2.gz ZXRKICSMZINUJP-HSZRJFAPSA-N 1 1 412.553 3.527 50 10 HHCAMO O=C(c1ccc(F)cc1)N(C[C@H]1C[N@H+](Cc2ccccc2O)CCO1)C1CCCC1 ZINC000034691970 557372471 /nfs/dbraw/zinc/37/24/71/557372471.db2.gz FQDWKKQQEXRTHP-JOCHJYFZSA-N 1 1 412.505 3.817 50 10 HHCAMO O=C(c1ccc(F)cc1)N(C[C@H]1C[N@@H+](Cc2ccccc2O)CCO1)C1CCCC1 ZINC000034691970 557372475 /nfs/dbraw/zinc/37/24/75/557372475.db2.gz FQDWKKQQEXRTHP-JOCHJYFZSA-N 1 1 412.505 3.817 50 10 HHCAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3O)CC2)nc1)c1ccc(F)cc1 ZINC000034681673 557383388 /nfs/dbraw/zinc/38/33/88/557383388.db2.gz UGXRWTKBHZWLJJ-UHFFFAOYSA-N 1 1 420.488 3.891 50 10 HHCAMO CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665396 557714120 /nfs/dbraw/zinc/71/41/20/557714120.db2.gz DYZKBGMPLKLOER-HSZRJFAPSA-N 1 1 408.590 3.778 50 10 HHCAMO CN(C)c1ccc([C@H](CNC(=O)c2ccco2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665429 557714978 /nfs/dbraw/zinc/71/49/78/557714978.db2.gz DADRMUXWYIULAN-QHCPKHFHSA-N 1 1 418.541 3.639 50 10 HHCAMO COc1ccc(N2CC[NH+]([C@@H](c3cccs3)[C@@H](C)NC(=O)C(C)C)CC2)cc1 ZINC000097546846 557824004 /nfs/dbraw/zinc/82/40/04/557824004.db2.gz KYPZNYQKXAMDOM-DYESRHJHSA-N 1 1 401.576 3.781 50 10 HHCAMO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000012314834 558378360 /nfs/dbraw/zinc/37/83/60/558378360.db2.gz XAWXLYBIUBJQSI-FQEVSTJZSA-N 1 1 407.986 3.638 50 10 HHCAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC000012314834 558378361 /nfs/dbraw/zinc/37/83/61/558378361.db2.gz XAWXLYBIUBJQSI-FQEVSTJZSA-N 1 1 407.986 3.638 50 10 HHCAMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000023375066 558554594 /nfs/dbraw/zinc/55/45/94/558554594.db2.gz XQYGSPWTMYUSTE-OAQYLSRUSA-N 1 1 403.929 3.971 50 10 HHCAMO Cc1cc(NC(=O)C[N@H+](C)Cc2c(O)ccc3cc(Br)ccc32)no1 ZINC000095469822 568625919 /nfs/dbraw/zinc/62/59/19/568625919.db2.gz RUHIZYBWSGCIBK-UHFFFAOYSA-N 1 1 404.264 3.675 50 10 HHCAMO Cc1ccc([C@H](c2ccccc2O)[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012939019 569028067 /nfs/dbraw/zinc/02/80/67/569028067.db2.gz KQRSUJLLHDIRQM-XMMPIXPASA-N 1 1 422.550 3.797 50 10 HHCAMO CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C[NH+]2CCOCC2)c2ccccc12 ZINC000013689772 569257000 /nfs/dbraw/zinc/25/70/00/569257000.db2.gz BTSUQXMTYBQNPH-JCMHNJIXSA-N 1 1 400.482 3.737 50 10 HHCAMO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000022914601 963739147 /nfs/dbraw/zinc/73/91/47/963739147.db2.gz ZBBMACQSQXAEQK-HSZRJFAPSA-N 1 1 407.558 3.981 50 10 HHCAMO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000022914601 963739153 /nfs/dbraw/zinc/73/91/53/963739153.db2.gz ZBBMACQSQXAEQK-HSZRJFAPSA-N 1 1 407.558 3.981 50 10 HHCAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C2CCN(c3ccc4c(c3)OCO4)CC2)C1 ZINC000022914601 963739161 /nfs/dbraw/zinc/73/91/61/963739161.db2.gz ZBBMACQSQXAEQK-HSZRJFAPSA-N 1 1 407.558 3.981 50 10 HHCAMO CN(Cc1ccc2c(c1)OCCO2)C(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000012597599 132364853 /nfs/dbraw/zinc/36/48/53/132364853.db2.gz VARBEDFSGBBMKN-UHFFFAOYSA-N 1 1 423.557 3.539 50 10 HHCAMO COc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1 ZINC000034684233 557387221 /nfs/dbraw/zinc/38/72/21/557387221.db2.gz WKFGYNMODZPGKO-UHFFFAOYSA-N 1 1 405.498 3.540 50 10 HHCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NC(=O)C(C)C)CC2)cc1 ZINC000097546843 557823925 /nfs/dbraw/zinc/82/39/25/557823925.db2.gz KYPZNYQKXAMDOM-UWJYYQICSA-N 1 1 401.576 3.781 50 10 HHCAMO CCCc1ccc([C@H](C)NC(=O)CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000022751933 558507556 /nfs/dbraw/zinc/50/75/56/558507556.db2.gz XURAVEAAHWIYGF-NRFANRHFSA-N 1 1 422.617 3.700 50 10 HHCAMO CN(C)c1ccc(C[NH+]2CCN(CC(=O)NC3CCC(C(C)(C)C)CC3)CC2)cc1 ZINC000022751995 558507660 /nfs/dbraw/zinc/50/76/60/558507660.db2.gz IGKAFBMBOILIRM-UHFFFAOYSA-N 1 1 414.638 3.591 50 10 HHCAMO COc1cccc(C(=O)[C@@H]2CCC[N@H+](C3CCN(c4ccc5c(c4)OCO5)CC3)C2)c1 ZINC000039413126 558821088 /nfs/dbraw/zinc/82/10/88/558821088.db2.gz XXULDPCLMYZXSD-LJQANCHMSA-N 1 1 422.525 3.988 50 10 HHCAMO COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCC(C)CC2)c1O ZINC000007986622 568964842 /nfs/dbraw/zinc/96/48/42/568964842.db2.gz JADJJZMOYWHRCD-GOSISDBHSA-N 1 1 413.543 3.872 50 10 HHCAMO CN(C)c1ccc(C[N@@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000015779207 569001687 /nfs/dbraw/zinc/00/16/87/569001687.db2.gz WHSZHGGQQYRKFM-UHFFFAOYSA-N 1 1 417.513 3.616 50 10 HHCAMO CN(C)c1ccc(C[N@H+]2CCc3nc(Nc4ccc5c(c4)OCCO5)ncc3C2)cc1 ZINC000015779207 569001689 /nfs/dbraw/zinc/00/16/89/569001689.db2.gz WHSZHGGQQYRKFM-UHFFFAOYSA-N 1 1 417.513 3.616 50 10 HHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(OC)cc4F)C3)CC2)cc1 ZINC000019745613 558266077 /nfs/dbraw/zinc/26/60/77/558266077.db2.gz LMACYYFPBJDBFR-OAQYLSRUSA-N 1 1 413.537 3.630 50 10 HHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc(OC)cc4F)C3)CC2)cc1 ZINC000019745613 558266078 /nfs/dbraw/zinc/26/60/78/558266078.db2.gz LMACYYFPBJDBFR-OAQYLSRUSA-N 1 1 413.537 3.630 50 10 HHCAMO Cc1c(C(=O)NCCC[NH+]2CCOCC2)cc(-c2ccccc2)n1-c1ccccc1 ZINC000019880113 558300426 /nfs/dbraw/zinc/30/04/26/558300426.db2.gz WZKJDYARRIQNLG-UHFFFAOYSA-N 1 1 403.526 3.905 50 10 HHCAMO c1ccc(CCc2nnc3n2CC[N@H+](Cc2ccc(N4CCCC4)cc2)CC3)cc1 ZINC000012219020 558354806 /nfs/dbraw/zinc/35/48/06/558354806.db2.gz PNCLCUPDKJZTSG-UHFFFAOYSA-N 1 1 401.558 3.722 50 10 HHCAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)c(OC)c1 ZINC000012459550 558418843 /nfs/dbraw/zinc/41/88/43/558418843.db2.gz VRBITGXGVUXOAO-GOSISDBHSA-N 1 1 412.530 3.718 50 10 HHCAMO COC(=O)c1ccc([C@@H](c2c(O)ccc3ccc(OC)cc32)[NH+]2CCOCC2)cc1 ZINC000025573268 558644360 /nfs/dbraw/zinc/64/43/60/558644360.db2.gz LOZKNCITSXWWFA-QHCPKHFHSA-N 1 1 407.466 3.762 50 10 HHCAMO C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000095469452 568625610 /nfs/dbraw/zinc/62/56/10/568625610.db2.gz HHQLJCTWCMWVGJ-OAHLLOKOSA-N 1 1 419.363 3.962 50 10 HHCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000015970834 569025238 /nfs/dbraw/zinc/02/52/38/569025238.db2.gz FJKKGIYVDZUNMO-ICDZXHCJSA-N 1 1 413.606 3.823 50 10 HHCAMO COc1ccc(O)c(CN2CCC[C@@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000023375546 963810952 /nfs/dbraw/zinc/81/09/52/963810952.db2.gz UEYTVSUHDQVAOW-HXUWFJFHSA-N 1 1 414.546 3.557 50 10 HHCAMO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000023375546 963810958 /nfs/dbraw/zinc/81/09/58/963810958.db2.gz UEYTVSUHDQVAOW-HXUWFJFHSA-N 1 1 414.546 3.557 50 10 HHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000023375546 963810965 /nfs/dbraw/zinc/81/09/65/963810965.db2.gz UEYTVSUHDQVAOW-HXUWFJFHSA-N 1 1 414.546 3.557 50 10 HHCAMO Cn1cc(/C=C2/c3ccc(Cl)cc3N(CN3CC[NH+](C)CC3)C2=O)c2ccccc21 ZINC000022785404 558510902 /nfs/dbraw/zinc/51/09/02/558510902.db2.gz NPWCLTJLIFSCMT-BKUYFWCQSA-N 1 1 420.944 3.924 50 10 HHCAMO CCOc1ccc(N2CC[NH+](CCNC(=S)Nc3cccc(C)c3C)CC2)cc1 ZINC000055545168 558882201 /nfs/dbraw/zinc/88/22/01/558882201.db2.gz TYXOCCAQPCVDSF-UHFFFAOYSA-N 1 1 412.603 3.811 50 10 HHCAMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000007245119 569229858 /nfs/dbraw/zinc/22/98/58/569229858.db2.gz PSESJPSSURBOHK-QFIPXVFZSA-N 1 1 423.557 3.709 50 10 HHCAMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000007245119 569229859 /nfs/dbraw/zinc/22/98/59/569229859.db2.gz PSESJPSSURBOHK-QFIPXVFZSA-N 1 1 423.557 3.709 50 10 HHCAMO CN(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)C(C)(C)C)cn3)CC2)cc1 ZINC000034681838 557383679 /nfs/dbraw/zinc/38/36/79/557383679.db2.gz ZXUJASWNPGKLPX-UHFFFAOYSA-N 1 1 409.578 3.845 50 10 HHCAMO CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000022665296 557714020 /nfs/dbraw/zinc/71/40/20/557714020.db2.gz NZJKJFXRCFMANK-DEOSSOPVSA-N 1 1 408.590 3.778 50 10 HHCAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4ccc(N(C)C)cc4)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000011937262 558301086 /nfs/dbraw/zinc/30/10/86/558301086.db2.gz ARZBEGOCWZQDMX-OPHFCASCSA-N 1 1 405.542 3.699 50 10 HHCAMO CCOc1ccccc1N1CC[NH+](Cc2cc(Br)cc(OC)c2O)CC1 ZINC000053175258 558862779 /nfs/dbraw/zinc/86/27/79/558862779.db2.gz FGZYWXNTJOOGDX-UHFFFAOYSA-N 1 1 421.335 3.884 50 10 HHCAMO COc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000009007987 571210101 /nfs/dbraw/zinc/21/01/01/571210101.db2.gz BNJJEGJYFCYZKL-OAHLLOKOSA-N 1 1 424.320 3.642 50 10 HHCAMO COc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000009007987 571210103 /nfs/dbraw/zinc/21/01/03/571210103.db2.gz BNJJEGJYFCYZKL-OAHLLOKOSA-N 1 1 424.320 3.642 50 10 HHCAMO CCOc1ccc(N2CC[NH+](CCNC(=O)Nc3cc(C)ccc3Cl)CC2)cc1 ZINC000005041862 960644276 /nfs/dbraw/zinc/64/42/76/960644276.db2.gz OVMCBRNECCOPSF-UHFFFAOYSA-N 1 1 416.953 3.991 50 10 HHCAMO COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@@H](C)NC(=O)C(C)C)CC2)cc1 ZINC000097546844 557824030 /nfs/dbraw/zinc/82/40/30/557824030.db2.gz KYPZNYQKXAMDOM-UTKZUKDTSA-N 1 1 401.576 3.781 50 10 HHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000011664185 558267836 /nfs/dbraw/zinc/26/78/36/558267836.db2.gz OBFBIQCKTGQGSR-QGZVFWFLSA-N 1 1 406.486 3.642 50 10 HHCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4cc(C)c(O)c(C)c4)C3)CC2)cc1 ZINC000019939045 558313258 /nfs/dbraw/zinc/31/32/58/558313258.db2.gz PUERMKCIIAEHRU-QHCPKHFHSA-N 1 1 409.574 3.804 50 10 HHCAMO COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4cc(C)c(O)c(C)c4)C3)CC2)cc1 ZINC000019939045 558313259 /nfs/dbraw/zinc/31/32/59/558313259.db2.gz PUERMKCIIAEHRU-QHCPKHFHSA-N 1 1 409.574 3.804 50 10 HHCAMO CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(C[NH+]3CCOCC3)cc2)CO1 ZINC000020566284 523742543 /nfs/dbraw/zinc/74/25/43/523742543.db2.gz PGLROYCHCICQFQ-UHFFFAOYSA-N 1 1 406.482 3.544 50 10 HHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cc(C)c(O)c(C)c4)C3)CC2)cc1 ZINC000019939043 558313241 /nfs/dbraw/zinc/31/32/41/558313241.db2.gz PUERMKCIIAEHRU-HSZRJFAPSA-N 1 1 409.574 3.804 50 10 HHCAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cc(C)c(O)c(C)c4)C3)CC2)cc1 ZINC000019939043 558313243 /nfs/dbraw/zinc/31/32/43/558313243.db2.gz PUERMKCIIAEHRU-HSZRJFAPSA-N 1 1 409.574 3.804 50 10 HHCAMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cc(Cl)ccc3C)CC2)cc1 ZINC000058021512 568878107 /nfs/dbraw/zinc/87/81/07/568878107.db2.gz RGEDOEHFQULETA-UHFFFAOYSA-N 1 1 402.926 3.601 50 10 HHCAMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1 ZINC000084351283 568947113 /nfs/dbraw/zinc/94/71/13/568947113.db2.gz PYQPPBKMSXWEBW-AWEZNQCLSA-N 1 1 406.826 3.939 50 10 HHCAMO COc1ccc2ccc(O)c(C[N@H+](Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000012869248 569012409 /nfs/dbraw/zinc/01/24/09/569012409.db2.gz OGYUAOBRJDGKIC-MRXNPFEDSA-N 1 1 417.552 3.805 50 10 HHCAMO COc1ccc2ccc(O)c(C[N@@H+](Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)c2c1 ZINC000012869248 569012410 /nfs/dbraw/zinc/01/24/10/569012410.db2.gz OGYUAOBRJDGKIC-MRXNPFEDSA-N 1 1 417.552 3.805 50 10 HHCAMO CCCc1ccc([C@@H](C)NC(=O)CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000022751928 558507663 /nfs/dbraw/zinc/50/76/63/558507663.db2.gz XURAVEAAHWIYGF-OAQYLSRUSA-N 1 1 422.617 3.700 50 10 HHCAMO CCOc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1 ZINC000019218184 558851014 /nfs/dbraw/zinc/85/10/14/558851014.db2.gz CLTXKJKPXQZDEQ-QHCPKHFHSA-N 1 1 409.574 3.881 50 10 HHCAMO CCOc1cccc(CN2CCC[C@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)c1 ZINC000019218184 558851015 /nfs/dbraw/zinc/85/10/15/558851015.db2.gz CLTXKJKPXQZDEQ-QHCPKHFHSA-N 1 1 409.574 3.881 50 10 HHCAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000012321450 568470893 /nfs/dbraw/zinc/47/08/93/568470893.db2.gz MOLHYWDXAINABY-OAQYLSRUSA-N 1 1 410.514 3.796 50 10 HHCAMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc(C)c(Cl)c3)CC2)cc1 ZINC000058021503 568878128 /nfs/dbraw/zinc/87/81/28/568878128.db2.gz UWKVGNAWYBCJTH-UHFFFAOYSA-N 1 1 402.926 3.601 50 10 HHCAMO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000008338616 568993329 /nfs/dbraw/zinc/99/33/29/568993329.db2.gz DRFIRRUYSNVWLB-UHFFFAOYSA-N 1 1 414.502 3.581 50 10 HHCAMO CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665202 132475346 /nfs/dbraw/zinc/47/53/46/132475346.db2.gz CFGXFEUHAYDEAR-VWLOTQADSA-N 1 1 420.601 3.922 50 10 HHCAMO C[NH+]1CCN(c2cc(N3CCCCC3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737882 536420278 /nfs/dbraw/zinc/42/02/78/536420278.db2.gz ZMINEAYGAOTBFV-UHFFFAOYSA-N 1 1 402.498 3.781 50 10 HHCAMO CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C)[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000022665401 557714046 /nfs/dbraw/zinc/71/40/46/557714046.db2.gz DYZKBGMPLKLOER-QHCPKHFHSA-N 1 1 408.590 3.778 50 10 HHCAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000019720551 558258914 /nfs/dbraw/zinc/25/89/14/558258914.db2.gz ODJCKWJQLUVUCZ-FQEVSTJZSA-N 1 1 415.965 3.841 50 10 HHCAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2O)C1 ZINC000012279230 558364929 /nfs/dbraw/zinc/36/49/29/558364929.db2.gz JLUQIMWRAGWRPG-IBGZPJMESA-N 1 1 410.514 3.868 50 10 HHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4ccc(F)c(OC)c4)C3)CC2)cc1 ZINC000019336088 558777033 /nfs/dbraw/zinc/77/70/33/558777033.db2.gz FOUWPMYJCAPTII-OAQYLSRUSA-N 1 1 413.537 3.630 50 10 HHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccc(F)c(OC)c4)C3)CC2)cc1 ZINC000019336088 558777034 /nfs/dbraw/zinc/77/70/34/558777034.db2.gz FOUWPMYJCAPTII-OAQYLSRUSA-N 1 1 413.537 3.630 50 10 HHCAMO CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000005098998 559244683 /nfs/dbraw/zinc/24/46/83/559244683.db2.gz DGHBYRDESMOSSW-MRXNPFEDSA-N 1 1 413.996 3.583 50 10 HHCAMO CCOCCCNc1cc(N2CC[NH+](C)CC2)c2noc3c2c1C(=O)c1ccccc1-3 ZINC000020857838 568645685 /nfs/dbraw/zinc/64/56/85/568645685.db2.gz VFBAIGIGBPCPGH-UHFFFAOYSA-N 1 1 420.513 3.630 50 10 HHCAMO COc1ccc2ccc(O)c(C[N@H+](Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000012869253 569012403 /nfs/dbraw/zinc/01/24/03/569012403.db2.gz OGYUAOBRJDGKIC-INIZCTEOSA-N 1 1 417.552 3.805 50 10 HHCAMO COc1ccc2ccc(O)c(C[N@@H+](Cc3cccs3)[C@H]3CCS(=O)(=O)C3)c2c1 ZINC000012869253 569012404 /nfs/dbraw/zinc/01/24/04/569012404.db2.gz OGYUAOBRJDGKIC-INIZCTEOSA-N 1 1 417.552 3.805 50 10 HHCAMO CN(C)c1ccc(/C=C2/C[N@@H+](C)C[C@H]3C2=NN(C)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000252617560 569301663 /nfs/dbraw/zinc/30/16/63/569301663.db2.gz KVNFFOLWJOTXDB-IBIOIURMSA-N 1 1 403.574 3.806 50 10 HHCAMO CN(C)c1ccc(/C=C2/CN(C)C[C@H]3C2=[NH+]N(C)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000252617560 569301664 /nfs/dbraw/zinc/30/16/64/569301664.db2.gz KVNFFOLWJOTXDB-IBIOIURMSA-N 1 1 403.574 3.806 50 10 HHCAMO CCN(CC)c1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000020780959 963395197 /nfs/dbraw/zinc/39/51/97/963395197.db2.gz BEPNSTMDFIYRIQ-UHFFFAOYSA-N 1 1 403.574 3.968 50 10 HHCAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)c(OC)c1 ZINC000012459549 558418798 /nfs/dbraw/zinc/41/87/98/558418798.db2.gz VRBITGXGVUXOAO-SFHVURJKSA-N 1 1 412.530 3.718 50 10 HHCAMO O=S(=O)(c1cccc(Cl)c1)N1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000023383443 558556031 /nfs/dbraw/zinc/55/60/31/558556031.db2.gz UJGLCDQJTOHQMT-UHFFFAOYSA-N 1 1 416.930 3.705 50 10 HHCAMO COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCC(C)CC2)c1O ZINC000007986621 568964867 /nfs/dbraw/zinc/96/48/67/568964867.db2.gz JADJJZMOYWHRCD-SFHVURJKSA-N 1 1 413.543 3.872 50 10 HHCAMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000015970836 569046762 /nfs/dbraw/zinc/04/67/62/569046762.db2.gz FJKKGIYVDZUNMO-ZKMPZPQNSA-N 1 1 413.606 3.823 50 10 biogenic HHCAMO CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000022665292 557714051 /nfs/dbraw/zinc/71/40/51/557714051.db2.gz NZJKJFXRCFMANK-XMMPIXPASA-N 1 1 408.590 3.778 50 10 HHCAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000019720550 558258982 /nfs/dbraw/zinc/25/89/82/558258982.db2.gz ODJCKWJQLUVUCZ-HXUWFJFHSA-N 1 1 415.965 3.841 50 10 HHCAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000011664184 558267900 /nfs/dbraw/zinc/26/79/00/558267900.db2.gz OBFBIQCKTGQGSR-KRWDZBQOSA-N 1 1 406.486 3.642 50 10 HHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000012474358 558422548 /nfs/dbraw/zinc/42/25/48/558422548.db2.gz OGKQVSNXGJVUPM-QGZVFWFLSA-N 1 1 400.494 3.849 50 10 HHCAMO CNC(=O)C1CC[NH+]([C@@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000029165294 558710970 /nfs/dbraw/zinc/71/09/70/558710970.db2.gz FQGQFMVMXPSNGA-INIZCTEOSA-N 1 1 401.938 3.777 50 10 HHCAMO CCN1CCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1[O-])CC1CC[NH+](CCOC)CC1 ZINC000019229269 558853335 /nfs/dbraw/zinc/85/33/35/558853335.db2.gz RGJOPSQCDWZHPI-QFIPXVFZSA-N 1 1 424.029 3.690 50 10 HHCAMO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(N(C)C)cc2)C3)c1 ZINC000015779053 569001754 /nfs/dbraw/zinc/00/17/54/569001754.db2.gz MMBXOUSQQVSDJZ-UHFFFAOYSA-N 1 1 419.529 3.862 50 10 HHCAMO COc1ccc(OC)c(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(N(C)C)cc2)C3)c1 ZINC000015779053 569001757 /nfs/dbraw/zinc/00/17/57/569001757.db2.gz MMBXOUSQQVSDJZ-UHFFFAOYSA-N 1 1 419.529 3.862 50 10 HHCAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000013008200 569049861 /nfs/dbraw/zinc/04/98/61/569049861.db2.gz VKJDVHHYOYJLHW-INIZCTEOSA-N 1 1 403.482 3.741 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@@H]56)[C@@H]43)c2o1 ZINC000526052531 569239809 /nfs/dbraw/zinc/23/98/09/569239809.db2.gz MJNBWCXFQYNSNU-FPRSRYDQSA-N 1 1 406.526 3.894 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@@H]56)[C@@H]43)c2o1 ZINC000526052531 569239810 /nfs/dbraw/zinc/23/98/10/569239810.db2.gz MJNBWCXFQYNSNU-FPRSRYDQSA-N 1 1 406.526 3.894 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@@H]56)[C@@H]43)c2o1 ZINC000526052531 569239811 /nfs/dbraw/zinc/23/98/11/569239811.db2.gz MJNBWCXFQYNSNU-FPRSRYDQSA-N 1 1 406.526 3.894 50 10 HHCAMO CN1CCCc2cc([C@H](CNS(=O)(=O)c3cccs3)[NH+]3CCCCC3)ccc21 ZINC000008800166 571120519 /nfs/dbraw/zinc/12/05/19/571120519.db2.gz RBSLAMZDKPSISC-FQEVSTJZSA-N 1 1 419.616 3.636 50 10 HHCAMO COc1ccc(CN2C[C@@H]3C[C@@H](c4ccc(N(C)C)cc4)[N@H+]4CCC[C@@]34C2=O)cc1 ZINC000012448703 962282865 /nfs/dbraw/zinc/28/28/65/962282865.db2.gz FREKFVAKFMLVJD-OPHFCASCSA-N 1 1 405.542 3.699 50 10 HHCAMO Cc1cc(O)c(O)c(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 ZINC000040149258 525325826 /nfs/dbraw/zinc/32/58/26/525325826.db2.gz MGWWCWONHHBHOC-UHFFFAOYSA-N 1 1 401.816 3.796 50 10 HHCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(F)c(OC)c4)C3)CC2)cc1 ZINC000019336093 558777044 /nfs/dbraw/zinc/77/70/44/558777044.db2.gz FOUWPMYJCAPTII-NRFANRHFSA-N 1 1 413.537 3.630 50 10 HHCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(F)c(OC)c4)C3)CC2)cc1 ZINC000019336093 558777045 /nfs/dbraw/zinc/77/70/45/558777045.db2.gz FOUWPMYJCAPTII-NRFANRHFSA-N 1 1 413.537 3.630 50 10 HHCAMO CCCC(=O)N[C@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000023181525 559031454 /nfs/dbraw/zinc/03/14/54/559031454.db2.gz WPYMFTFXUDYVDQ-VGSWGCGISA-N 1 1 401.576 3.925 50 10 HHCAMO C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cc(Br)ccc1[O-] ZINC000095469451 568625634 /nfs/dbraw/zinc/62/56/34/568625634.db2.gz HHQLJCTWCMWVGJ-HNNXBMFYSA-N 1 1 419.363 3.962 50 10 HHCAMO COc1ccc(CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000020351399 963387311 /nfs/dbraw/zinc/38/73/11/963387311.db2.gz IFCMCBILPBRNFT-DEOSSOPVSA-N 1 1 416.569 3.661 50 10 HHCAMO COc1ccc(CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000020351399 963387318 /nfs/dbraw/zinc/38/73/18/963387318.db2.gz IFCMCBILPBRNFT-DEOSSOPVSA-N 1 1 416.569 3.661 50 10 HHCAMO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1C(C)C ZINC000025719637 964341669 /nfs/dbraw/zinc/34/16/69/964341669.db2.gz GQQNXYGXDOZDAB-NTEUORMPSA-N 1 1 414.571 3.942 50 10 HHCAMO CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000022665580 557715022 /nfs/dbraw/zinc/71/50/22/557715022.db2.gz HHKZIPSQVQBOBO-QHCPKHFHSA-N 1 1 412.553 3.671 50 10 HHCAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](Cc4ccc(OC)cc4F)C3)CC2)cc1 ZINC000019745615 558266039 /nfs/dbraw/zinc/26/60/39/558266039.db2.gz LMACYYFPBJDBFR-NRFANRHFSA-N 1 1 413.537 3.630 50 10 HHCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccc(OC)cc4F)C3)CC2)cc1 ZINC000019745615 558266040 /nfs/dbraw/zinc/26/60/40/558266040.db2.gz LMACYYFPBJDBFR-NRFANRHFSA-N 1 1 413.537 3.630 50 10 HHCAMO COc1ccc(C[N@H+]2CCN(Cc3cc(Cl)ccc3O)C[C@@H]2CCO)c(C)c1C ZINC000020915910 558422705 /nfs/dbraw/zinc/42/27/05/558422705.db2.gz VIDLJIMXMQTBGE-NRFANRHFSA-N 1 1 418.965 3.740 50 10 HHCAMO CCOc1ccc(N2CC[NH+](CCNC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000055539477 558881995 /nfs/dbraw/zinc/88/19/95/558881995.db2.gz IVTRINBOQQHRET-UHFFFAOYSA-N 1 1 402.926 3.682 50 10 HHCAMO CCCC(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000023181518 559031499 /nfs/dbraw/zinc/03/14/99/559031499.db2.gz WPYMFTFXUDYVDQ-VGOFRKELSA-N 1 1 401.576 3.925 50 10 HHCAMO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3c(O)ccc4ccccc43)CC2)cc1C ZINC000019902861 568585491 /nfs/dbraw/zinc/58/54/91/568585491.db2.gz PNNLCCYSGFSAGW-UHFFFAOYSA-N 1 1 410.539 3.669 50 10 HHCAMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3ccc(C)cc3Cl)CC2)cc1 ZINC000058021504 568878139 /nfs/dbraw/zinc/87/81/39/568878139.db2.gz ZBLXHFAZUFCOEM-UHFFFAOYSA-N 1 1 402.926 3.601 50 10 HHCAMO CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000015970840 569046788 /nfs/dbraw/zinc/04/67/88/569046788.db2.gz FJKKGIYVDZUNMO-PZUNEJSGSA-N 1 1 413.606 3.823 50 10 biogenic HHCAMO COc1ccc(N2CCN(C(=O)CC[N@H+](C)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000032776721 524408087 /nfs/dbraw/zinc/40/80/87/524408087.db2.gz PNYGFMXRUWGIKQ-UHFFFAOYSA-N 1 1 419.928 3.658 50 10 HHCAMO COc1ccc(N2CCN(C(=O)CC[N@@H+](C)Cc3c(F)cccc3Cl)CC2)cc1 ZINC000032776721 524408096 /nfs/dbraw/zinc/40/80/96/524408096.db2.gz PNYGFMXRUWGIKQ-UHFFFAOYSA-N 1 1 419.928 3.658 50 10 HHCAMO COCCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@H]1c1ccc(N(C)C)cc1 ZINC000008744478 557804365 /nfs/dbraw/zinc/80/43/65/557804365.db2.gz OYJCVTKGUZCXEA-NRFANRHFSA-N 1 1 406.486 3.559 50 10 HHCAMO COc1ccc(N2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020109800 558334959 /nfs/dbraw/zinc/33/49/59/558334959.db2.gz BBSJHYDAAANYDE-QGZVFWFLSA-N 1 1 411.329 3.564 50 10 HHCAMO CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000005098999 559244712 /nfs/dbraw/zinc/24/47/12/559244712.db2.gz DGHBYRDESMOSSW-INIZCTEOSA-N 1 1 413.996 3.583 50 10 HHCAMO Oc1cc2c(cc1C[NH+]1CCN(Cc3csc(-c4ccccc4)n3)CC1)OCO2 ZINC000022913222 558520311 /nfs/dbraw/zinc/52/03/11/558520311.db2.gz LOQYTAHBGUNGNO-UHFFFAOYSA-N 1 1 409.511 3.562 50 10 HHCAMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000023375069 558554629 /nfs/dbraw/zinc/55/46/29/558554629.db2.gz XQYGSPWTMYUSTE-NRFANRHFSA-N 1 1 403.929 3.971 50 10 HHCAMO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)cc1C(C)C ZINC000033480696 966408568 /nfs/dbraw/zinc/40/85/68/966408568.db2.gz GQQNXYGXDOZDAB-ZROIWOOFSA-N 1 1 414.571 3.942 50 10 HHCAMO COc1cccc(C[N@H+]2CCC[C@H](COc3ccccc3C(=O)NC3CC3)C2)c1O ZINC000169765255 970474041 /nfs/dbraw/zinc/47/40/41/970474041.db2.gz YGSMMEDHYKZKIL-KRWDZBQOSA-N 1 1 410.514 3.584 50 10 HHCAMO CC[NH+](CC)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)cc1 ZINC000001298552 557253810 /nfs/dbraw/zinc/25/38/10/557253810.db2.gz GGWKNYWPPNRJGA-UYRXBGFRSA-N 1 1 410.543 3.608 50 10 HHCAMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000016878796 558808764 /nfs/dbraw/zinc/80/87/64/558808764.db2.gz LCVUETIYGBXKJD-UHFFFAOYSA-N 1 1 420.509 3.801 50 10 HHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(OC)cc4)CC3)C2)c1 ZINC000019218176 558851025 /nfs/dbraw/zinc/85/10/25/558851025.db2.gz CLTXKJKPXQZDEQ-HSZRJFAPSA-N 1 1 409.574 3.881 50 10 HHCAMO CCOc1cccc(CN2CCC[C@@H]([NH+]3CCN(c4ccc(OC)cc4)CC3)C2)c1 ZINC000019218176 558851026 /nfs/dbraw/zinc/85/10/26/558851026.db2.gz CLTXKJKPXQZDEQ-HSZRJFAPSA-N 1 1 409.574 3.881 50 10 HHCAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)cc1 ZINC000012321449 568470961 /nfs/dbraw/zinc/47/09/61/568470961.db2.gz MOLHYWDXAINABY-NRFANRHFSA-N 1 1 410.514 3.796 50 10 HHCAMO COc1ccc(N2CCN(C(=O)CC[N@@H+](C)Cc3cccc(Cl)c3)CC2)cc1 ZINC000032776725 524408633 /nfs/dbraw/zinc/40/86/33/524408633.db2.gz VWNYICROSQOQQM-UHFFFAOYSA-N 1 1 401.938 3.519 50 10 HHCAMO CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)c(C[NH+]3CCOCC3)c21 ZINC000019932827 558311000 /nfs/dbraw/zinc/31/10/00/558311000.db2.gz ZXAWKHDXRYZIPO-UHFFFAOYSA-N 1 1 424.497 3.662 50 10 HHCAMO CCCC(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000023181515 559031425 /nfs/dbraw/zinc/03/14/25/559031425.db2.gz WPYMFTFXUDYVDQ-HTAPYJJXSA-N 1 1 401.576 3.925 50 10 HHCAMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)c([N+](=O)[O-])c1 ZINC000084351276 568947055 /nfs/dbraw/zinc/94/70/55/568947055.db2.gz PYQPPBKMSXWEBW-CQSZACIVSA-N 1 1 406.826 3.939 50 10 HHCAMO CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000004000359 569042775 /nfs/dbraw/zinc/04/27/75/569042775.db2.gz FJKKGIYVDZUNMO-HVCNVCAESA-N 1 1 413.606 3.823 50 10 biogenic HHCAMO CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000006517568 569062572 /nfs/dbraw/zinc/06/25/72/569062572.db2.gz FJKKGIYVDZUNMO-GPXOXTDOSA-N 1 1 413.606 3.823 50 10 HHCAMO Cc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000006727367 569101825 /nfs/dbraw/zinc/10/18/25/569101825.db2.gz AAZKRMIWHXUKLP-OAHLLOKOSA-N 1 1 408.321 3.941 50 10 HHCAMO Cc1cc(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000006727367 569101827 /nfs/dbraw/zinc/10/18/27/569101827.db2.gz AAZKRMIWHXUKLP-OAHLLOKOSA-N 1 1 408.321 3.941 50 10 HHCAMO COc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000009007986 571210078 /nfs/dbraw/zinc/21/00/78/571210078.db2.gz BNJJEGJYFCYZKL-HNNXBMFYSA-N 1 1 424.320 3.642 50 10 HHCAMO COc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000009007986 571210080 /nfs/dbraw/zinc/21/00/80/571210080.db2.gz BNJJEGJYFCYZKL-HNNXBMFYSA-N 1 1 424.320 3.642 50 10 HHCAMO Oc1ccc2c(Cc3ccccc3)noc2c1C[NH+]1CCN(c2ccccn2)CC1 ZINC000041585931 526353547 /nfs/dbraw/zinc/35/35/47/526353547.db2.gz ZSWMUVCOVYQJEI-UHFFFAOYSA-N 1 1 400.482 3.841 50 10 HHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)c1 ZINC000012474352 558422622 /nfs/dbraw/zinc/42/26/22/558422622.db2.gz OGKQVSNXGJVUPM-KRWDZBQOSA-N 1 1 400.494 3.849 50 10 HHCAMO COC(=O)c1ccc([C@H](c2c(O)ccc3ccc(OC)cc32)[NH+]2CCOCC2)cc1 ZINC000025573259 558644297 /nfs/dbraw/zinc/64/42/97/558644297.db2.gz LOZKNCITSXWWFA-HSZRJFAPSA-N 1 1 407.466 3.762 50 10 HHCAMO CNC(=O)C1CC[NH+]([C@H](C)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000029165300 558710919 /nfs/dbraw/zinc/71/09/19/558710919.db2.gz FQGQFMVMXPSNGA-MRXNPFEDSA-N 1 1 401.938 3.777 50 10 HHCAMO Cc1cc2oc(=O)c3c(c2c([O-])c1C[N@@H+](C)C[C@@H]1CCC[NH+]2CCCC[C@H]12)CCC3 ZINC000524729992 569051659 /nfs/dbraw/zinc/05/16/59/569051659.db2.gz QKDKWEFQOMEWTO-LAUBAEHRSA-N 1 1 410.558 3.992 50 10 HHCAMO Cc1cc2oc(=O)c3c(c2c([O-])c1C[NH+](C)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)CCC3 ZINC000524729992 569051660 /nfs/dbraw/zinc/05/16/60/569051660.db2.gz QKDKWEFQOMEWTO-LAUBAEHRSA-N 1 1 410.558 3.992 50 10 HHCAMO Cc1cc2oc(=O)c3c(c2c([O-])c1C[NH+](C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)CCC3 ZINC000524729992 569051661 /nfs/dbraw/zinc/05/16/61/569051661.db2.gz QKDKWEFQOMEWTO-LAUBAEHRSA-N 1 1 410.558 3.992 50 10 HHCAMO CCN(CC)c1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)N2CCCC2)cc1 ZINC000006517567 569062534 /nfs/dbraw/zinc/06/25/34/569062534.db2.gz FJKKGIYVDZUNMO-CAOCKLPOSA-N 1 1 413.606 3.823 50 10 HHCAMO COc1ccc(O)c(CN2CCC[C@H]([N@@H+](C)CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000023375547 963810700 /nfs/dbraw/zinc/81/07/00/963810700.db2.gz UEYTVSUHDQVAOW-FQEVSTJZSA-N 1 1 414.546 3.557 50 10 HHCAMO COc1ccc(O)c(C[N@@H+]2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000023375547 963810704 /nfs/dbraw/zinc/81/07/04/963810704.db2.gz UEYTVSUHDQVAOW-FQEVSTJZSA-N 1 1 414.546 3.557 50 10 HHCAMO COc1ccc(O)c(C[N@H+]2CCC[C@H](N(C)CCc3ccc(OC)c(OC)c3)C2)c1 ZINC000023375547 963810713 /nfs/dbraw/zinc/81/07/13/963810713.db2.gz UEYTVSUHDQVAOW-FQEVSTJZSA-N 1 1 414.546 3.557 50 10 HHCAMO CCOc1cccc(C[N@H+]2CCC[C@@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1O ZINC000020535709 521338333 /nfs/dbraw/zinc/33/83/33/521338333.db2.gz NOZAOSYNIJUSTA-JOCHJYFZSA-N 1 1 413.537 3.717 50 10 HHCAMO CCOc1ccc(C[NH+]2CCN(Cc3cc(Br)ccc3O)CC2)cc1 ZINC000019361426 558876351 /nfs/dbraw/zinc/87/63/51/558876351.db2.gz LLHNAELRCNNMMC-UHFFFAOYSA-N 1 1 405.336 3.871 50 10 HHCAMO COc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1OC ZINC000077387093 559003364 /nfs/dbraw/zinc/00/33/64/559003364.db2.gz WSPKAVWMKGNYJO-OAHLLOKOSA-N 1 1 418.921 3.705 50 10 HHCAMO CSc1ccc2c(c1)[C@H]([NH+]1CCN(CCCO)CC1)Cc1ccc(O)cc1S2 ZINC000022590948 559014964 /nfs/dbraw/zinc/01/49/64/559014964.db2.gz HLZPAJSIDRQQSZ-HXUWFJFHSA-N 1 1 416.612 3.863 50 10 HHCAMO CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C[NH+]2CCOCC2)c2ccccc12 ZINC000100998892 559142521 /nfs/dbraw/zinc/14/25/21/559142521.db2.gz BTSUQXMTYBQNPH-PXLXIMEGSA-N 1 1 400.482 3.737 50 10 HHCAMO COc1ccc(O)c(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)NC(C)C)c1 ZINC000299787459 568875648 /nfs/dbraw/zinc/87/56/48/568875648.db2.gz XDAGDQBBEAUVQD-UXHICEINSA-N 1 1 418.534 3.800 50 10 HHCAMO CN(C)c1ccc(CNC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)cc1 ZINC000006978771 569192543 /nfs/dbraw/zinc/19/25/43/569192543.db2.gz NAZNYJOURFWZSC-UHFFFAOYSA-N 1 1 408.571 3.858 50 10 HHCAMO COc1ccc(CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000020351395 963387556 /nfs/dbraw/zinc/38/75/56/963387556.db2.gz IFCMCBILPBRNFT-XMMPIXPASA-N 1 1 416.569 3.661 50 10 HHCAMO COc1ccc(CN[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1Cn1cccn1 ZINC000020351395 963387563 /nfs/dbraw/zinc/38/75/63/963387563.db2.gz IFCMCBILPBRNFT-XMMPIXPASA-N 1 1 416.569 3.661 50 10 HHCAMO O=C(c1ccc(F)cc1)N(C[C@@H]1C[N@H+](Cc2ccccc2O)CCO1)C1CCCC1 ZINC000034691969 557372649 /nfs/dbraw/zinc/37/26/49/557372649.db2.gz FQDWKKQQEXRTHP-QFIPXVFZSA-N 1 1 412.505 3.817 50 10 HHCAMO O=C(c1ccc(F)cc1)N(C[C@@H]1C[N@@H+](Cc2ccccc2O)CCO1)C1CCCC1 ZINC000034691969 557372651 /nfs/dbraw/zinc/37/26/51/557372651.db2.gz FQDWKKQQEXRTHP-QFIPXVFZSA-N 1 1 412.505 3.817 50 10 HHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cccc(C(C)=O)c4)C3)CC2)cc1 ZINC000020906795 558420975 /nfs/dbraw/zinc/42/09/75/558420975.db2.gz TUYCMZGYPAETAZ-XMMPIXPASA-N 1 1 407.558 3.684 50 10 HHCAMO COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4cccc(C(C)=O)c4)C3)CC2)cc1 ZINC000020906795 558420980 /nfs/dbraw/zinc/42/09/80/558420980.db2.gz TUYCMZGYPAETAZ-XMMPIXPASA-N 1 1 407.558 3.684 50 10 HHCAMO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(N(C)C)cc2)C3)c(OC)c1 ZINC000015778933 558753061 /nfs/dbraw/zinc/75/30/61/558753061.db2.gz SVKZVFAGLBOSQC-UHFFFAOYSA-N 1 1 419.529 3.862 50 10 HHCAMO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(N(C)C)cc2)C3)c(OC)c1 ZINC000015778933 558753064 /nfs/dbraw/zinc/75/30/64/558753064.db2.gz SVKZVFAGLBOSQC-UHFFFAOYSA-N 1 1 419.529 3.862 50 10 HHCAMO COc1cc(Br)cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1O ZINC000019632916 558947316 /nfs/dbraw/zinc/94/73/16/558947316.db2.gz QBWDPQSAVBQBTI-VMPITWQZSA-N 1 1 417.347 3.994 50 10 HHCAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1OC ZINC000077387088 559003351 /nfs/dbraw/zinc/00/33/51/559003351.db2.gz WSPKAVWMKGNYJO-HNNXBMFYSA-N 1 1 418.921 3.705 50 10 HHCAMO CCCC(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000023181521 559031415 /nfs/dbraw/zinc/03/14/15/559031415.db2.gz WPYMFTFXUDYVDQ-JTSKRJEESA-N 1 1 401.576 3.925 50 10 HHCAMO Cc1ccc([C@@H](c2ccccc2O)[NH+]2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 ZINC000012939026 569028000 /nfs/dbraw/zinc/02/80/00/569028000.db2.gz KQRSUJLLHDIRQM-DEOSSOPVSA-N 1 1 422.550 3.797 50 10 HHCAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000013008198 569049828 /nfs/dbraw/zinc/04/98/28/569049828.db2.gz VKJDVHHYOYJLHW-MRXNPFEDSA-N 1 1 403.482 3.741 50 10 HHCAMO CC[NH+](CC)c1ccc(NC=C2C(=O)N(C)C(=S)N(c3ccccc3)C2=O)cc1 ZINC000006418021 132310879 /nfs/dbraw/zinc/31/08/79/132310879.db2.gz ZGWJKCSRMIEVAQ-XDJHFCHBSA-N 1 1 408.527 3.619 50 10 HHCAMO C[NH+]1CCN(c2cc(NCc3ccco3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000006737993 132314348 /nfs/dbraw/zinc/31/43/48/132314348.db2.gz OBAPRJSKURHXID-UHFFFAOYSA-N 1 1 414.465 3.996 50 10 HHCAMO Cc1c(C)c(=O)oc2c1ccc1c2CN(c2ccc(C[NH+]3CCOCC3)cc2)CO1 ZINC000020548298 525671901 /nfs/dbraw/zinc/67/19/01/525671901.db2.gz SGFYMQJNHJYCHE-UHFFFAOYSA-N 1 1 406.482 3.599 50 10 HHCAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2O)C1 ZINC000012279229 558364947 /nfs/dbraw/zinc/36/49/47/558364947.db2.gz JLUQIMWRAGWRPG-LJQANCHMSA-N 1 1 410.514 3.868 50 10 HHCAMO CN(C)c1ccc(/C=C2\C[N@@H+](C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000252617558 569301705 /nfs/dbraw/zinc/30/17/05/569301705.db2.gz KVNFFOLWJOTXDB-BLRDJFHDSA-N 1 1 403.574 3.806 50 10 HHCAMO CN(C)c1ccc(/C=C2\CN(C)C[C@@H]3C2=[NH+]N(C)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000252617558 569301706 /nfs/dbraw/zinc/30/17/06/569301706.db2.gz KVNFFOLWJOTXDB-BLRDJFHDSA-N 1 1 403.574 3.806 50 10 HHCAMO Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000096006417 568682688 /nfs/dbraw/zinc/68/26/88/568682688.db2.gz HWOSFDZRMGBETF-DEOSSOPVSA-N 1 1 403.526 3.591 50 10 HHCAMO COc1ccc(N2CC[NH+](CCNC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000058021520 568878019 /nfs/dbraw/zinc/87/80/19/568878019.db2.gz GDRJOSOTZZBBFJ-UHFFFAOYSA-N 1 1 423.344 3.946 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[N@H+]3CCCC4=C[C@H]5C[C@H](C[NH+]6CCCC[C@H]56)[C@@H]43)c2o1 ZINC000526052540 569239755 /nfs/dbraw/zinc/23/97/55/569239755.db2.gz MJNBWCXFQYNSNU-YWQGAKJTSA-N 1 1 406.526 3.894 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@@H+]6CCCC[C@H]56)[C@@H]43)c2o1 ZINC000526052540 569239756 /nfs/dbraw/zinc/23/97/56/569239756.db2.gz MJNBWCXFQYNSNU-YWQGAKJTSA-N 1 1 406.526 3.894 50 10 HHCAMO O=c1ccc2ccc([O-])c(C[NH+]3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c2o1 ZINC000526052540 569239757 /nfs/dbraw/zinc/23/97/57/569239757.db2.gz MJNBWCXFQYNSNU-YWQGAKJTSA-N 1 1 406.526 3.894 50 10 HHCAMO CCOc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)c1O ZINC000020535711 521338679 /nfs/dbraw/zinc/33/86/79/521338679.db2.gz NOZAOSYNIJUSTA-QFIPXVFZSA-N 1 1 413.537 3.717 50 10 HHCAMO COCCOC(=O)C1=C(C)[NH+]=C2Nc3ccccc3N2[C@@H]1c1ccc(N(C)C)cc1 ZINC000008744479 557804389 /nfs/dbraw/zinc/80/43/89/557804389.db2.gz OYJCVTKGUZCXEA-OAQYLSRUSA-N 1 1 406.486 3.559 50 10 HHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](Cc4cc(OC)ccc4F)C3)CC2)cc1 ZINC000020784512 558413552 /nfs/dbraw/zinc/41/35/52/558413552.db2.gz YBDINVRDPHKWIC-OAQYLSRUSA-N 1 1 413.537 3.630 50 10 HHCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4cc(OC)ccc4F)C3)CC2)cc1 ZINC000020784512 558413554 /nfs/dbraw/zinc/41/35/54/558413554.db2.gz YBDINVRDPHKWIC-OAQYLSRUSA-N 1 1 413.537 3.630 50 10 HHCAMO Cc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000006727365 569101834 /nfs/dbraw/zinc/10/18/34/569101834.db2.gz AAZKRMIWHXUKLP-HNNXBMFYSA-N 1 1 408.321 3.941 50 10 HHCAMO Cc1cc(Br)cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000006727365 569101836 /nfs/dbraw/zinc/10/18/36/569101836.db2.gz AAZKRMIWHXUKLP-HNNXBMFYSA-N 1 1 408.321 3.941 50 10 HHCAMO CN(C)c1ccc(/C=C2\C[N@@H+](C)C[C@H]3C2=NN(C)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000252617559 569301676 /nfs/dbraw/zinc/30/16/76/569301676.db2.gz KVNFFOLWJOTXDB-DXQATHTMSA-N 1 1 403.574 3.806 50 10 HHCAMO CN(C)c1ccc(/C=C2\CN(C)C[C@H]3C2=[NH+]N(C)[C@@H]3c2ccc(N(C)C)cc2)cc1 ZINC000252617559 569301677 /nfs/dbraw/zinc/30/16/77/569301677.db2.gz KVNFFOLWJOTXDB-DXQATHTMSA-N 1 1 403.574 3.806 50 10 HHCAMO COc1cccc(C[N@H+]2CCC[C@@H](COc3ccccc3C(=O)N3CCCC3)C2)c1O ZINC000169765162 970473124 /nfs/dbraw/zinc/47/31/24/970473124.db2.gz JQEYTRKMVZULDV-LJQANCHMSA-N 1 1 424.541 3.928 50 10 HHCAMO COc1ccc(N2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000020109801 558335052 /nfs/dbraw/zinc/33/50/52/558335052.db2.gz BBSJHYDAAANYDE-KRWDZBQOSA-N 1 1 411.329 3.564 50 10 HHCAMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000007245109 569229835 /nfs/dbraw/zinc/22/98/35/569229835.db2.gz PSESJPSSURBOHK-JOCHJYFZSA-N 1 1 423.557 3.709 50 10 HHCAMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000007245109 569229836 /nfs/dbraw/zinc/22/98/36/569229836.db2.gz PSESJPSSURBOHK-JOCHJYFZSA-N 1 1 423.557 3.709 50 10 HHCAMO