smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CC[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC000020999105 202061139 /nfs/dbraw/zinc/06/11/39/202061139.db2.gz RXRGQVIQGJANOT-KRWDZBQOSA-N 1 0 340.895 2.960 50 10 EFCARO COc1ccc(N2CCN([C@@H](c3cccs3)[C@H](C)[NH3+])CC2)cc1 ZINC000021948408 212266360 /nfs/dbraw/zinc/26/63/60/212266360.db2.gz WSUXQQNLLUGNCE-KBXCAEBGSA-N 1 0 331.485 2.967 50 10 EFCARO CCn1ccnc1Cn1ccnc1-c1ccc(O)c(C[NH+](C)C)c1 ZINC000071752514 203107845 /nfs/dbraw/zinc/10/78/45/203107845.db2.gz MEBUYBWTZDYSIN-UHFFFAOYSA-N 1 0 325.416 2.582 50 10 EFCARO COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)cc1 ZINC000077440939 203389186 /nfs/dbraw/zinc/38/91/86/203389186.db2.gz FVPYYGPWVKTTFY-SFHVURJKSA-N 1 0 345.487 2.607 50 10 EFCARO COc1ccc(N2CCN(C(=O)[C@@H](C)[NH+]3CCCC3)CC2(C)C)cc1 ZINC000091725771 203648979 /nfs/dbraw/zinc/64/89/79/203648979.db2.gz OAKFWXPZJFABTH-MRXNPFEDSA-N 1 0 345.487 2.607 50 10 EFCARO COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000005097767 278007609 /nfs/dbraw/zinc/00/76/09/278007609.db2.gz DTVRAWWGZAQULT-IBGZPJMESA-N 1 0 341.455 2.794 50 10 biogenic EFCARO CC1CCN(C(=O)C2CC[NH+](Cc3ccc(O)c(O)c3)CC2)CC1 ZINC000004700152 471472788 /nfs/dbraw/zinc/47/27/88/471472788.db2.gz QUGQUJZLSQVQDP-UHFFFAOYSA-N 1 0 332.444 2.568 50 10 EFCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 ZINC000006891470 471576329 /nfs/dbraw/zinc/57/63/29/471576329.db2.gz RTVYKCVNOMTQRT-OAHLLOKOSA-N 1 0 329.425 2.686 50 10 EFCARO Oc1ccccc1C[N@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000011974229 471762249 /nfs/dbraw/zinc/76/22/49/471762249.db2.gz WOBRPGFQIILEQA-UHFFFAOYSA-N 1 0 348.450 2.827 50 10 EFCARO COc1ccc([C@@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 ZINC000012580655 471784383 /nfs/dbraw/zinc/78/43/83/471784383.db2.gz BLZADJLXDOHXLC-IBGZPJMESA-N 1 0 341.456 2.866 50 10 EFCARO CC[C@H](Cn1ccnc1)[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000067689314 472073208 /nfs/dbraw/zinc/07/32/08/472073208.db2.gz QXRDACARUDIUGY-OAHLLOKOSA-N 1 0 342.443 2.649 50 10 EFCARO COc1ccc(CNCc2noc(C3CC3)n2)cc1C[NH+]1CCCC1 ZINC000952976844 1284952144 /nfs/dbraw/zinc/95/21/44/1284952144.db2.gz UKJGZMGKVFJDFU-UHFFFAOYSA-N 1 0 342.443 2.841 50 10 EFCARO CCOc1cccc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000004725481 210260878 /nfs/dbraw/zinc/26/08/78/210260878.db2.gz OYYGHQQICPIXGY-UHFFFAOYSA-N 1 0 334.460 2.775 50 10 EFCARO CC(C)=CC[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO ZINC000104510879 219391931 /nfs/dbraw/zinc/39/19/31/219391931.db2.gz YWPFBKOHXDTLDK-QGZVFWFLSA-N 1 0 338.879 2.880 50 10 EFCARO COc1ccc(O)c(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c1 ZINC000039510380 213238331 /nfs/dbraw/zinc/23/83/31/213238331.db2.gz COURLZIPFSFUCR-GOSISDBHSA-N 1 0 348.487 2.602 50 10 EFCARO Cc1ccc(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000072140008 216025684 /nfs/dbraw/zinc/02/56/84/216025684.db2.gz XBBYRHPGMIJZJW-UHFFFAOYSA-N 1 0 337.467 2.606 50 10 EFCARO Oc1ccc(Cl)cc1C[N@H+]1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000020776517 212169977 /nfs/dbraw/zinc/16/99/77/212169977.db2.gz FZCOLHGWVVTVIC-OAHLLOKOSA-N 1 0 348.834 2.547 50 10 EFCARO COc1ccc(N2CC[NH+](C[C@H](O)COC3CCCCC3)CC2)cc1 ZINC000020682748 212161657 /nfs/dbraw/zinc/16/16/57/212161657.db2.gz OXOGLPWPIZHARF-SFHVURJKSA-N 1 0 348.487 2.527 50 10 EFCARO Cc1ccc(CN2CC[N@H+](Cc3ccccc3O)C[C@@H]2CCO)cc1 ZINC000020541193 212145655 /nfs/dbraw/zinc/14/56/55/212145655.db2.gz RDJXULXBRPKNQZ-FQEVSTJZSA-N 1 0 340.467 2.769 50 10 EFCARO CN(C)c1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000005097709 210389783 /nfs/dbraw/zinc/38/97/83/210389783.db2.gz MBCDZVTYTIPFGI-IBGZPJMESA-N 1 0 343.446 2.853 50 10 EFCARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 ZINC000006891465 276236522 /nfs/dbraw/zinc/23/65/22/276236522.db2.gz RTVYKCVNOMTQRT-HNNXBMFYSA-N 1 0 329.425 2.686 50 10 EFCARO CCOc1cccc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)c1O ZINC000005673785 471515746 /nfs/dbraw/zinc/51/57/46/471515746.db2.gz TYUWVYIQAZRREG-UHFFFAOYSA-N 1 0 332.444 2.625 50 10 EFCARO COc1ccc(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)cc1 ZINC000077440941 472527774 /nfs/dbraw/zinc/52/77/74/472527774.db2.gz FVPYYGPWVKTTFY-GOSISDBHSA-N 1 0 345.487 2.607 50 10 EFCARO COc1ccc(N2CCN([C@@H]3CCC[N@H+](CC(C)C)C3)CC2)cc1 ZINC000022913384 724805138 /nfs/dbraw/zinc/80/51/38/724805138.db2.gz SDOZKHHTUJPXNN-LJQANCHMSA-N 1 0 331.504 2.938 50 10 EFCARO CCOc1ccc(C[NH2+][C@@H](C)Cc2cnccn2)cc1COC(C)=O ZINC000055244718 214294408 /nfs/dbraw/zinc/29/44/08/214294408.db2.gz BIZXWRYEQZUQCB-AWEZNQCLSA-N 1 0 343.427 2.659 50 10 EFCARO CCCC1=NN(c2ccc(F)cc2)C(=O)C1=CNCC1CC[NH2+]CC1 ZINC000000054352 209391659 /nfs/dbraw/zinc/39/16/59/209391659.db2.gz MGEGTEUVWCKGRL-LGMDPLHJSA-N 1 0 344.434 2.802 50 10 EFCARO CC(C)C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC000023373146 212373188 /nfs/dbraw/zinc/37/31/88/212373188.db2.gz VSQRXVFKEZQJGQ-INIZCTEOSA-N 1 0 326.868 2.570 50 10 EFCARO OCC[C@@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccc(F)cc1 ZINC000022852949 212328915 /nfs/dbraw/zinc/32/89/15/212328915.db2.gz VKYHILAJTLJRTQ-LJQANCHMSA-N 1 0 344.430 2.600 50 10 EFCARO OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1C1CCCC1 ZINC000020599285 212150730 /nfs/dbraw/zinc/15/07/30/212150730.db2.gz DVKDKYCNYAVQLI-QGZVFWFLSA-N 1 0 338.879 2.857 50 10 EFCARO C[NH+]1CCN(c2ccc(CNC(=S)Nc3ccccc3)cc2)CC1 ZINC000078578714 217079491 /nfs/dbraw/zinc/07/94/91/217079491.db2.gz PVTVJVFHXVDIGR-UHFFFAOYSA-N 1 0 340.496 2.925 50 10 EFCARO CN(C)c1ccc([C@H](CNC(=O)NC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000005098142 210390250 /nfs/dbraw/zinc/39/02/50/210390250.db2.gz ZYVYQSHISJPOSH-KRWDZBQOSA-N 1 0 332.492 2.987 50 10 EFCARO COc1cc(C[C@H]2[NH2+]CCc3cc(O)c(O)cc32)cc(OC)c1OC ZINC000002017274 277820557 /nfs/dbraw/zinc/82/05/57/277820557.db2.gz RGVPOXRFEPSFGH-CQSZACIVSA-N 1 0 345.395 2.553 50 10 investigational EFCARO COc1ccc(N2CCC([N@H+](C)CCCn3cccn3)CC2)cc1 ZINC000670437318 547489247 /nfs/dbraw/zinc/48/92/47/547489247.db2.gz IWKLDTAWSIUECU-UHFFFAOYSA-N 1 0 328.460 2.883 50 10 EFCARO Cc1nnc([C@H](C)[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)[nH]1 ZINC000822275546 1265068767 /nfs/dbraw/zinc/06/87/67/1265068767.db2.gz OVSTUVSQCCZZLC-ZDUSSCGKSA-N 1 0 325.460 2.921 50 10 EFCARO Nc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000827848699 1267504352 /nfs/dbraw/zinc/50/43/52/1267504352.db2.gz MQYJZHGGCLOXAY-INIZCTEOSA-N 1 0 329.469 2.654 50 10 EFCARO OCc1cccc(C[NH2+]C2CCN(c3ccc4c(c3)OCO4)CC2)c1 ZINC000828827600 1267946875 /nfs/dbraw/zinc/94/68/75/1267946875.db2.gz NXJKTKUNXYREJP-UHFFFAOYSA-N 1 0 340.423 2.666 50 10 EFCARO CNC(=O)[C@H]1CCCC[N@@H+]1C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506409367 1405755352 /nfs/dbraw/zinc/75/53/52/1405755352.db2.gz WQVZQPWTJQTIIX-HXUWFJFHSA-N 1 0 341.499 2.745 50 10 EFCARO NC(=O)C1([NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)CCCC1 ZINC001506420125 1405760768 /nfs/dbraw/zinc/76/07/68/1405760768.db2.gz VHAWFATWMISMAJ-UHFFFAOYSA-N 1 0 327.472 2.532 50 10 EFCARO Cc1cc(C)c(O)c(C[N@H+]2C[C@H]3[C@H](C(=O)NCc4ccco4)[C@H]3C2)c1 ZINC000102871519 219236973 /nfs/dbraw/zinc/23/69/73/219236973.db2.gz ZXMTYEHEDVFTCX-PIIMJCKOSA-N 1 0 340.423 2.596 50 10 EFCARO C[NH+](C)Cc1cc(-c2nccn2-c2ccc3[nH]nnc3c2)ccc1O ZINC000072156452 216046130 /nfs/dbraw/zinc/04/61/30/216046130.db2.gz IPUFCNVMQGVWIJ-UHFFFAOYSA-N 1 0 334.383 2.578 50 10 EFCARO CN(C)c1ccc([C@@H](CNC(=O)NC(C)(C)C)[NH+]2CCCC2)cc1 ZINC000005098143 210389450 /nfs/dbraw/zinc/38/94/50/210389450.db2.gz ZYVYQSHISJPOSH-QGZVFWFLSA-N 1 0 332.492 2.987 50 10 EFCARO COc1c(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(C)nn1C ZINC000058331348 135611679 /nfs/dbraw/zinc/61/16/79/135611679.db2.gz IFDNIOLYQHBJDJ-UHFFFAOYSA-N 1 0 346.500 2.580 50 10 EFCARO Oc1ccccc1C1=NC2(CC[NH2+]CC2)N[C@@H](c2ccccc2O)C1 ZINC000080324816 304845775 /nfs/dbraw/zinc/84/57/75/304845775.db2.gz AMSCWUWRTWDEHU-MRXNPFEDSA-N 1 0 337.423 2.701 50 10 EFCARO COc1ccc([N+]2=C3SCCCN3[C@@](O)(c3ccccc3)C2)cc1 ZINC000000425729 471359171 /nfs/dbraw/zinc/35/91/71/471359171.db2.gz NVQNLNRNHXUJBS-IBGZPJMESA-N 1 0 341.456 2.866 50 10 EFCARO CN1CCc2cc([C@H](CNC(=O)C3CC3)[NH+]3CCCCC3)ccc21 ZINC000013007717 471812700 /nfs/dbraw/zinc/81/27/00/471812700.db2.gz IEENEIKCSSLIGM-IBGZPJMESA-N 1 0 327.472 2.732 50 10 EFCARO CC[C@@H]([NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1ccnn1C ZINC000067774445 472088757 /nfs/dbraw/zinc/08/87/57/472088757.db2.gz JMLAIVAWKQNGCV-MRXNPFEDSA-N 1 0 342.443 2.859 50 10 EFCARO COc1cccc(O)c1C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000063855712 472821305 /nfs/dbraw/zinc/82/13/05/472821305.db2.gz VTDIKTTYEVITIG-UHFFFAOYSA-N 1 0 330.403 2.858 50 10 EFCARO COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)c1O ZINC000065408258 472936866 /nfs/dbraw/zinc/93/68/66/472936866.db2.gz WJNDQCQPCJEAAM-CQSZACIVSA-N 1 0 326.396 2.891 50 10 EFCARO COc1cc(Br)cc(CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000023281094 717905841 /nfs/dbraw/zinc/90/58/41/717905841.db2.gz AXAWMSXXMLXTLM-AOOOYVTPSA-N 1 0 330.222 2.773 50 10 EFCARO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000055291994 214302604 /nfs/dbraw/zinc/30/26/04/214302604.db2.gz BDVAFQLWUCVHJU-UHFFFAOYSA-N 1 0 340.423 2.804 50 10 EFCARO COc1ccc(CN2CC[NH+](Cc3cc(OC)ccc3O)CC2)cc1 ZINC000019555361 202012027 /nfs/dbraw/zinc/01/20/27/202012027.db2.gz YALPSHFUPVOSCF-UHFFFAOYSA-N 1 0 342.439 2.727 50 10 EFCARO OCC[C@@H]1CN(Cc2ccccc2O)CC[N@@H+]1CC1CCCCC1 ZINC000020541254 202049299 /nfs/dbraw/zinc/04/92/99/202049299.db2.gz HDERCHWRZADXIW-LJQANCHMSA-N 1 0 332.488 2.841 50 10 EFCARO CC(=O)N1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC000023128858 202099730 /nfs/dbraw/zinc/09/97/30/202099730.db2.gz COCMXCCWDGWCGQ-UHFFFAOYSA-N 1 0 328.387 2.862 50 10 EFCARO CCOC(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000023281764 202101699 /nfs/dbraw/zinc/10/16/99/202101699.db2.gz LRSHQCDJTTWELX-UHFFFAOYSA-N 1 0 342.233 2.930 50 10 EFCARO COc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1O ZINC000005676840 201660074 /nfs/dbraw/zinc/66/00/74/201660074.db2.gz PHVJWTPDIDESGE-OAHLLOKOSA-N 1 0 346.471 2.871 50 10 EFCARO Cc1ccc(C)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000072117227 203164133 /nfs/dbraw/zinc/16/41/33/203164133.db2.gz JGNNHXUANYRWQV-UHFFFAOYSA-N 1 0 337.467 2.985 50 10 EFCARO COc1ccc(O)c(C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000055291864 132194263 /nfs/dbraw/zinc/19/42/63/132194263.db2.gz UQWPKHKNOLPHON-UHFFFAOYSA-N 1 0 328.412 2.732 50 10 EFCARO COc1c2c(cc3c1[C@H](N1CCc4ccccc41)N(C)CC3)OCO2 ZINC000008792057 277365484 /nfs/dbraw/zinc/36/54/84/277365484.db2.gz QIWSBTSMIPCUPT-FQEVSTJZSA-N 1 0 338.407 2.973 50 10 biogenic EFCARO CCCCN(C)C(=O)C1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000006397447 471543307 /nfs/dbraw/zinc/54/33/07/471543307.db2.gz DNKQQCFHHHZEQJ-UHFFFAOYSA-N 1 0 334.460 2.871 50 10 EFCARO CC[C@@H](Cn1ccnc1)[NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000067689313 472073652 /nfs/dbraw/zinc/07/36/52/472073652.db2.gz QXRDACARUDIUGY-HNNXBMFYSA-N 1 0 342.443 2.649 50 10 EFCARO COc1cc(Br)cc(C[N@H+](C)C2CCN(C)CC2)c1O ZINC000016662812 1313536969 /nfs/dbraw/zinc/53/69/69/1313536969.db2.gz JQRYSSWQNAQMCA-UHFFFAOYSA-N 1 0 343.265 2.689 50 10 EFCARO NC(=O)[C@@H]([NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1)c1ccccc1 ZINC001506404227 1405752881 /nfs/dbraw/zinc/75/28/81/1405752881.db2.gz YRZVIVXBCOYMRB-NRFANRHFSA-N 1 0 349.478 2.960 50 10 EFCARO c1ccn2c(c1)nnc2C[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506426522 1405764207 /nfs/dbraw/zinc/76/42/07/1405764207.db2.gz HUFOWQXKWPFTAM-UHFFFAOYSA-N 1 0 347.466 2.977 50 10 EFCARO COc1ccc(N2CC[N@H+](Cc3ccc4nonc4c3)[C@H](C)C2)cc1 ZINC000072149885 216038646 /nfs/dbraw/zinc/03/86/46/216038646.db2.gz SVDLAVPNMMZHEU-CQSZACIVSA-N 1 0 338.411 2.942 50 10 EFCARO CC(C)=CC[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC000020515911 212142317 /nfs/dbraw/zinc/14/23/17/212142317.db2.gz YWPFBKOHXDTLDK-KRWDZBQOSA-N 1 0 338.879 2.880 50 10 EFCARO COc1ccc([C@]2(O)CN(c3ccccc3)C3=[N+]2CCCS3)cc1 ZINC000012580662 211414761 /nfs/dbraw/zinc/41/47/61/211414761.db2.gz BLZADJLXDOHXLC-LJQANCHMSA-N 1 0 341.456 2.866 50 10 EFCARO CN1CCc2cc([C@@H](CNC(=O)c3ccco3)[NH+]3CCCC3)ccc21 ZINC000008963309 211024282 /nfs/dbraw/zinc/02/42/82/211024282.db2.gz NQSIWECAWPYDBO-GOSISDBHSA-N 1 0 339.439 2.839 50 10 EFCARO COc1ccc(N2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC000055543799 132196210 /nfs/dbraw/zinc/19/62/10/132196210.db2.gz HYORXANMYBYMDO-UHFFFAOYSA-N 1 0 339.439 2.976 50 10 EFCARO COc1cccc(O)c1[C@H]1c2[nH]cnc2CC[N@H+]1CCCSC ZINC000067490318 278018415 /nfs/dbraw/zinc/01/84/15/278018415.db2.gz YYVCJFXATWLWMQ-KRWDZBQOSA-N 1 0 333.457 2.825 50 10 EFCARO CCN(CC)c1ccc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000001408196 471389974 /nfs/dbraw/zinc/38/99/74/471389974.db2.gz SBVDDFOGEUQPRR-QGZVFWFLSA-N 1 0 334.427 2.979 50 10 EFCARO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1CN1CCOCC1 ZINC000013736098 471842278 /nfs/dbraw/zinc/84/22/78/471842278.db2.gz UCKHRJJLBYYWOZ-UHFFFAOYSA-N 1 0 344.430 2.956 50 10 EFCARO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1 ZINC000065504828 472960199 /nfs/dbraw/zinc/96/01/99/472960199.db2.gz OLYDSECUFCZBMF-FUHWJXTLSA-N 1 0 341.407 2.780 50 10 EFCARO Cc1nnc([C@@H](C)[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)[nH]1 ZINC000822275545 1265069750 /nfs/dbraw/zinc/06/97/50/1265069750.db2.gz OVSTUVSQCCZZLC-CYBMUJFWSA-N 1 0 325.460 2.921 50 10 EFCARO NC(=O)[C@@H]1CC=CC[C@H]1[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC000826846933 1267312852 /nfs/dbraw/zinc/31/28/52/1267312852.db2.gz MPIMTYQTTXYYEF-WOJBJXKFSA-N 1 0 339.483 2.554 50 10 EFCARO Cc1n[nH]cc1C[N@@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952983457 1284981210 /nfs/dbraw/zinc/98/12/10/1284981210.db2.gz FHKOOVHHKYPXSW-UHFFFAOYSA-N 1 0 328.416 2.548 50 10 EFCARO Cc1nc(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)cc(=O)[nH]1 ZINC001506400698 1405751074 /nfs/dbraw/zinc/75/10/74/1405751074.db2.gz XHXOXIPEIRBUHN-UHFFFAOYSA-N 1 0 338.455 2.738 50 10 EFCARO O=C1N=C(N2CC[NH2+]CC2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000056979761 214398478 /nfs/dbraw/zinc/39/84/78/214398478.db2.gz GAJQRNQNXCITNC-GHXNOFRVSA-N 1 0 342.251 2.869 50 10 EFCARO COc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@H](CCO)C2)c1O ZINC000039364419 213235116 /nfs/dbraw/zinc/23/51/16/213235116.db2.gz PXLJPWLJBFSGLN-GOSISDBHSA-N 1 0 348.487 2.602 50 10 EFCARO CCN(CC)c1ccc([C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc1 ZINC000001408195 209742143 /nfs/dbraw/zinc/74/21/43/209742143.db2.gz SBVDDFOGEUQPRR-KRWDZBQOSA-N 1 0 334.427 2.979 50 10 EFCARO OCC[C@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccc(F)cc1 ZINC000023144494 212355515 /nfs/dbraw/zinc/35/55/15/212355515.db2.gz VKYHILAJTLJRTQ-IBGZPJMESA-N 1 0 344.430 2.600 50 10 EFCARO COc1ccc(N2CCN([C@H](c3cccs3)[C@H](C)[NH3+])CC2)cc1 ZINC000021948406 212266388 /nfs/dbraw/zinc/26/63/88/212266388.db2.gz WSUXQQNLLUGNCE-KSSFIOAISA-N 1 0 331.485 2.967 50 10 EFCARO OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@@H+]1C1CCCC1 ZINC000020599286 212151286 /nfs/dbraw/zinc/15/12/86/212151286.db2.gz DVKDKYCNYAVQLI-KRWDZBQOSA-N 1 0 338.879 2.857 50 10 EFCARO CN1CC[NH+]([C@H](c2ccncc2)c2ccc3cccnc3c2O)CC1 ZINC000020507241 212141582 /nfs/dbraw/zinc/14/15/82/212141582.db2.gz NQXCTRCPZLXMMO-LJQANCHMSA-N 1 0 334.423 2.672 50 10 EFCARO CN(C)c1ccc([C@@H](CNC(=O)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000005097725 210390007 /nfs/dbraw/zinc/39/00/07/210390007.db2.gz MVYWYFJZNVPXAP-GOSISDBHSA-N 1 0 329.419 2.924 50 10 EFCARO COc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)c(O)c1 ZINC000004981024 210348777 /nfs/dbraw/zinc/34/87/77/210348777.db2.gz WAVHZUBKSJRWQP-UHFFFAOYSA-N 1 0 328.412 2.732 50 10 EFCARO CC[C@H]([NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1ccnn1C ZINC000067774442 132812667 /nfs/dbraw/zinc/81/26/67/132812667.db2.gz JMLAIVAWKQNGCV-INIZCTEOSA-N 1 0 342.443 2.859 50 10 EFCARO C=C1[NH+]=C(SC)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000000758775 471374517 /nfs/dbraw/zinc/37/45/17/471374517.db2.gz BRMLGFHUJIEPJR-OAHLLOKOSA-N 1 0 333.457 2.953 50 10 EFCARO COc1ccc(N2CCC([NH2+][C@H](C)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000067739703 472081383 /nfs/dbraw/zinc/08/13/83/472081383.db2.gz OCVNFOSQLGLUGP-CQSZACIVSA-N 1 0 328.460 2.916 50 10 EFCARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ncccn3)ccc2O)C1 ZINC000020819092 1314727005 /nfs/dbraw/zinc/72/70/05/1314727005.db2.gz AOLZHVMBPGHCSF-HNNXBMFYSA-N 1 0 341.411 2.624 50 10 EFCARO COc1ccc(N2CCN([C@H]3CCC[N@H+](CC(C)C)C3)CC2)cc1 ZINC000022913388 715405714 /nfs/dbraw/zinc/40/57/14/715405714.db2.gz SDOZKHHTUJPXNN-IBGZPJMESA-N 1 0 331.504 2.938 50 10 EFCARO COc1ccc(N2CC[N@H+](Cc3ccc4nonc4c3)[C@@H](C)C2)cc1 ZINC000072149886 216037747 /nfs/dbraw/zinc/03/77/47/216037747.db2.gz SVDLAVPNMMZHEU-AWEZNQCLSA-N 1 0 338.411 2.942 50 10 EFCARO COc1ccc(O)c(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c1 ZINC000020256190 212114694 /nfs/dbraw/zinc/11/46/94/212114694.db2.gz COURLZIPFSFUCR-SFHVURJKSA-N 1 0 348.487 2.602 50 10 EFCARO CCOC(=O)C1CC[NH+](Cc2cc(-c3cncnc3)ccc2O)CC1 ZINC000014992436 211785828 /nfs/dbraw/zinc/78/58/28/211785828.db2.gz GQIVGBRFWFFELA-UHFFFAOYSA-N 1 0 341.411 2.624 50 10 EFCARO CN1CC[NH+]([C@@H](c2ccncc2)c2ccc3cccnc3c2O)CC1 ZINC000020507239 471991301 /nfs/dbraw/zinc/99/13/01/471991301.db2.gz NQXCTRCPZLXMMO-IBGZPJMESA-N 1 0 334.423 2.672 50 10 EFCARO COc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(OC)c3)CC2)cc1 ZINC000062005031 472727287 /nfs/dbraw/zinc/72/72/87/472727287.db2.gz VBXXCVCJIUCYRU-HXUWFJFHSA-N 1 0 342.439 2.559 50 10 EFCARO COc1cccc(C[N@@H+]2CCC[C@H](C(=O)c3ccccn3)C2)c1O ZINC000065408256 472937128 /nfs/dbraw/zinc/93/71/28/472937128.db2.gz WJNDQCQPCJEAAM-AWEZNQCLSA-N 1 0 326.396 2.891 50 10 EFCARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000049740624 472961804 /nfs/dbraw/zinc/96/18/04/472961804.db2.gz DYNQTLVQQJJFOS-UHFFFAOYSA-N 1 0 327.403 2.508 50 10 EFCARO OC[C@H]([NH2+]C1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC001506418030 1405759896 /nfs/dbraw/zinc/75/98/96/1405759896.db2.gz NRVXRBNTUZHPPH-SFHVURJKSA-N 1 0 340.423 2.707 50 10 EFCARO CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1O ZINC000005010320 717704354 /nfs/dbraw/zinc/70/43/54/717704354.db2.gz WFLPRDXYVBKDRZ-ZBFHGGJFSA-N 1 0 340.423 2.572 50 10 EFCARO CN(C)c1ccc([C@@H](C[NH3+])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000019796292 212068602 /nfs/dbraw/zinc/06/86/02/212068602.db2.gz WSRVFTVCIAWWRG-HXUWFJFHSA-N 1 0 342.462 2.714 50 10 EFCARO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000019219468 212005294 /nfs/dbraw/zinc/00/52/94/212005294.db2.gz WTXWVINXDFLKRS-QGZVFWFLSA-N 1 0 326.440 2.842 50 10 EFCARO CCN(CC)CC[NH2+]Cc1cc(-c2nc(C)cnc2C)ccc1O ZINC000299765763 258080616 /nfs/dbraw/zinc/08/06/16/258080616.db2.gz CRRQAXYGQPNEOM-UHFFFAOYSA-N 1 0 328.460 2.897 50 10 EFCARO CN(C)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055543681 132195845 /nfs/dbraw/zinc/19/58/45/132195845.db2.gz OTKZCANGKCKQOH-UHFFFAOYSA-N 1 0 340.427 2.983 50 10 EFCARO CN(C)c1ccc([C@H](CNC(=O)c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000005097726 471486423 /nfs/dbraw/zinc/48/64/23/471486423.db2.gz MVYWYFJZNVPXAP-SFHVURJKSA-N 1 0 329.419 2.924 50 10 EFCARO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000067739704 472081950 /nfs/dbraw/zinc/08/19/50/472081950.db2.gz OCVNFOSQLGLUGP-AWEZNQCLSA-N 1 0 328.460 2.916 50 10 EFCARO Cc1ccc(CN2CC[N@H+](Cc3ccccc3O)C[C@H]2CCO)cc1 ZINC000104525033 472675410 /nfs/dbraw/zinc/67/54/10/472675410.db2.gz RDJXULXBRPKNQZ-HXUWFJFHSA-N 1 0 340.467 2.769 50 10 EFCARO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000062005035 472727663 /nfs/dbraw/zinc/72/76/63/472727663.db2.gz GTSNXUQOUDJSQR-HXUWFJFHSA-N 1 0 326.440 2.859 50 10 biogenic EFCARO COc1ccc(N2CC[NH+](C[C@H](O)c3ccc(C)cc3)CC2)cc1 ZINC000062005036 472727751 /nfs/dbraw/zinc/72/77/51/472727751.db2.gz GTSNXUQOUDJSQR-FQEVSTJZSA-N 1 0 326.440 2.859 50 10 biogenic EFCARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ncccn3)ccc2O)C1 ZINC000020819089 723872123 /nfs/dbraw/zinc/87/21/23/723872123.db2.gz AOLZHVMBPGHCSF-OAHLLOKOSA-N 1 0 341.411 2.624 50 10 EFCARO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055074649 214269757 /nfs/dbraw/zinc/26/97/57/214269757.db2.gz YVWAOAFGSFNGEB-INIZCTEOSA-N 1 0 328.412 2.856 50 10 EFCARO COc1cccc(O)c1CN1CC[N@@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000022852919 212329881 /nfs/dbraw/zinc/32/98/81/212329881.db2.gz VIQNCOFUJLZDGR-QGZVFWFLSA-N 1 0 348.487 2.602 50 10 EFCARO CN(C)c1ccc([C@@H](CNC(=O)NCc2ccccc2)[NH+](C)C)cc1 ZINC000022418296 212296779 /nfs/dbraw/zinc/29/67/79/212296779.db2.gz FSNSAXINAVVTIC-LJQANCHMSA-N 1 0 340.471 2.855 50 10 EFCARO CN1CC[NH+]([C@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 ZINC000020507281 212141289 /nfs/dbraw/zinc/14/12/89/212141289.db2.gz HSRHOKLBADNCMO-LJQANCHMSA-N 1 0 334.423 2.672 50 10 EFCARO CCOc1ccc(C[NH2+][C@@H]2COc3c(cccc3OC)C2)cc1CO ZINC000015064634 471887687 /nfs/dbraw/zinc/88/76/87/471887687.db2.gz KEMGOCGHPNYIDG-KRWDZBQOSA-N 1 0 343.423 2.680 50 10 EFCARO OCC[C@@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1F ZINC000076949861 472429609 /nfs/dbraw/zinc/42/96/09/472429609.db2.gz LSJMBALNVQMUHY-GOSISDBHSA-N 1 0 344.430 2.600 50 10 EFCARO CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506409366 1405755061 /nfs/dbraw/zinc/75/50/61/1405755061.db2.gz WQVZQPWTJQTIIX-FQEVSTJZSA-N 1 0 341.499 2.745 50 10 EFCARO CC(C)CC[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO ZINC000104406156 219385490 /nfs/dbraw/zinc/38/54/90/219385490.db2.gz RXRGQVIQGJANOT-QGZVFWFLSA-N 1 0 340.895 2.960 50 10 EFCARO CCOc1cccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c1O ZINC000039387761 213235853 /nfs/dbraw/zinc/23/58/53/213235853.db2.gz ZVZOLDDUINORCW-GOSISDBHSA-N 1 0 348.487 2.602 50 10 EFCARO COc1ccc(N2CCN(C(=O)[C@H](C)[NH+]3CCCC3)CC2(C)C)cc1 ZINC000091725768 218054454 /nfs/dbraw/zinc/05/44/54/218054454.db2.gz OAKFWXPZJFABTH-INIZCTEOSA-N 1 0 345.487 2.607 50 10 EFCARO COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000005097766 278007994 /nfs/dbraw/zinc/00/79/94/278007994.db2.gz DTVRAWWGZAQULT-LJQANCHMSA-N 1 0 341.455 2.794 50 10 biogenic EFCARO COc1cc(C[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc(OC)c1OC ZINC000000000802 471318064 /nfs/dbraw/zinc/31/80/64/471318064.db2.gz RGVPOXRFEPSFGH-AWEZNQCLSA-N 1 0 345.395 2.553 50 10 investigational EFCARO COc1cccc(C[NH+]2CCC(C(=O)NCCC(C)C)CC2)c1O ZINC000000299336 471344660 /nfs/dbraw/zinc/34/46/60/471344660.db2.gz PLBRFONESMBHTD-UHFFFAOYSA-N 1 0 334.460 2.775 50 10 EFCARO CCOc1ccc(C[NH2+][C@H]2COc3c(cccc3OC)C2)cc1CO ZINC000015064635 471887999 /nfs/dbraw/zinc/88/79/99/471887999.db2.gz KEMGOCGHPNYIDG-QGZVFWFLSA-N 1 0 343.423 2.680 50 10 EFCARO C[NH+]1CCN(c2ccc(CNC(=O)CCc3ccccc3)cc2)CC1 ZINC000049740643 472961236 /nfs/dbraw/zinc/96/12/36/472961236.db2.gz DKDTZGKVPKKRLI-UHFFFAOYSA-N 1 0 337.467 2.687 50 10 EFCARO O=C1N=C(N2CC[N@@H+]3CCC[C@@H]3C2)S/C1=C\c1ccc(F)cc1 ZINC000166630691 473529893 /nfs/dbraw/zinc/52/98/93/473529893.db2.gz URLAKGNUMBZJIX-MKRLJBPISA-N 1 0 331.416 2.576 50 10 EFCARO CC(=O)C(=O)c1ccc(N[N+](=O)c2ccc(C(=O)C(C)=O)cc2)cc1 ZINC000526055762 478402274 /nfs/dbraw/zinc/40/22/74/478402274.db2.gz ZXNJLJQKYRFLLW-UHFFFAOYSA-O 1 0 339.327 2.668 50 10 EFCARO Cc1ccccc1CN1CC[N@H+](Cc2ccccc2O)C[C@H]1CCO ZINC000828747634 1267907361 /nfs/dbraw/zinc/90/73/61/1267907361.db2.gz QLYGOKGNSGMFMW-HXUWFJFHSA-N 1 0 340.467 2.769 50 10 EFCARO Cc1ccccc1CN1CC[N@H+](Cc2ccccc2O)C[C@@H]1CCO ZINC000023372930 718115667 /nfs/dbraw/zinc/11/56/67/718115667.db2.gz QLYGOKGNSGMFMW-FQEVSTJZSA-N 1 0 340.467 2.769 50 10 EFCARO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055074646 214269636 /nfs/dbraw/zinc/26/96/36/214269636.db2.gz YVWAOAFGSFNGEB-MRXNPFEDSA-N 1 0 328.412 2.856 50 10 EFCARO O=C(NCCc1ccccc1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000004678934 210244160 /nfs/dbraw/zinc/24/41/60/210244160.db2.gz GAKKYHKKULWQJK-UHFFFAOYSA-N 1 0 338.451 2.963 50 10 EFCARO CN(C)c1ccc([C@H](C[NH3+])N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000019796294 212069413 /nfs/dbraw/zinc/06/94/13/212069413.db2.gz WSRVFTVCIAWWRG-FQEVSTJZSA-N 1 0 342.462 2.714 50 10 EFCARO CN1CCc2cc([C@H](CNC(=O)c3ccco3)[NH+]3CCCC3)ccc21 ZINC000008963310 211023877 /nfs/dbraw/zinc/02/38/77/211023877.db2.gz NQSIWECAWPYDBO-SFHVURJKSA-N 1 0 339.439 2.839 50 10 EFCARO COC(=O)Cc1c(C)c2ccc([O-])c(C[NH+]3CCCCC3)c2oc1=O ZINC000000489063 471364904 /nfs/dbraw/zinc/36/49/04/471364904.db2.gz BXKRCSDNWZXJCW-UHFFFAOYSA-N 1 0 345.395 2.508 50 10 biogenic EFCARO CN1CCc2cc([C@@H](CNC(=O)C3CC3)[NH+]3CCCCC3)ccc21 ZINC000013007715 471813015 /nfs/dbraw/zinc/81/30/15/471813015.db2.gz IEENEIKCSSLIGM-LJQANCHMSA-N 1 0 327.472 2.732 50 10 EFCARO O[C@@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000016944855 471951926 /nfs/dbraw/zinc/95/19/26/471951926.db2.gz NZDYXPPETDNQIS-GOSISDBHSA-N 1 0 329.420 2.996 50 10 EFCARO COc1cccc(C[NH+]2CCN(c3ccccc3OC)CC2)c1O ZINC000059722079 472628118 /nfs/dbraw/zinc/62/81/18/472628118.db2.gz JEBNHROQOLOTBV-UHFFFAOYSA-N 1 0 328.412 2.732 50 10 EFCARO C[NH+]1CCN(c2ccc(CNC(=O)c3ccccc3F)cc2)CC1 ZINC000049740622 472961721 /nfs/dbraw/zinc/96/17/21/472961721.db2.gz YGPHZOZALLFJLT-UHFFFAOYSA-N 1 0 327.403 2.508 50 10 EFCARO COc1ccc(O)c(C[NH+]2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000019792265 202021097 /nfs/dbraw/zinc/02/10/97/202021097.db2.gz SMMUOYGOTGJEFA-UHFFFAOYSA-N 1 0 330.403 2.858 50 10 EFCARO CC(C)C[NH2+]CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000009575591 471718355 /nfs/dbraw/zinc/71/83/55/471718355.db2.gz BNPILZNLIXCHIH-UHFFFAOYSA-N 1 0 336.391 2.646 50 10 EFCARO COc1cccc(O)c1[C@@H]1c2[nH]cnc2CC[N@H+]1CCCSC ZINC000067490316 472039883 /nfs/dbraw/zinc/03/98/83/472039883.db2.gz YYVCJFXATWLWMQ-QGZVFWFLSA-N 1 0 333.457 2.825 50 10 EFCARO COc1ccc([C@@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000062005034 472727826 /nfs/dbraw/zinc/72/78/26/472727826.db2.gz HBLGUORAKVBALI-FQEVSTJZSA-N 1 0 342.439 2.559 50 10 EFCARO O=C1N=C(N2CC[N@@H+]3CCC[C@H]3C2)S/C1=C\c1ccc(F)cc1 ZINC000166630822 473529275 /nfs/dbraw/zinc/52/92/75/473529275.db2.gz URLAKGNUMBZJIX-QTNMRXCUSA-N 1 0 331.416 2.576 50 10 EFCARO CC[N@H+](CCn1cccn1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952988555 1284989728 /nfs/dbraw/zinc/98/97/28/1284989728.db2.gz RVKKHKGNWVMOLJ-UHFFFAOYSA-N 1 0 342.443 2.603 50 10 EFCARO COCc1cc(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)[nH]n1 ZINC001506406325 1405754113 /nfs/dbraw/zinc/75/41/13/1405754113.db2.gz ZVFWDFLSNYQJAF-UHFFFAOYSA-N 1 0 340.471 2.803 50 10 EFCARO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C)c1 ZINC000072115890 216011826 /nfs/dbraw/zinc/01/18/26/216011826.db2.gz AGNVTMCSFAHAQM-UHFFFAOYSA-N 1 0 337.467 2.985 50 10 EFCARO C[NH+](C)Cc1cc(-c2nccn2CC2(CO)CCCC2)ccc1O ZINC000072408812 216199957 /nfs/dbraw/zinc/19/99/57/216199957.db2.gz ZAZLRJCXEUOOAC-UHFFFAOYSA-N 1 0 329.444 2.870 50 10 EFCARO COc1cccc(O)c1CN1CC[N@@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000023130554 212351928 /nfs/dbraw/zinc/35/19/28/212351928.db2.gz VIQNCOFUJLZDGR-KRWDZBQOSA-N 1 0 348.487 2.602 50 10 EFCARO COc1ccc(N2CCN([C@H](c3cccs3)[C@@H](C)[NH3+])CC2)cc1 ZINC000021948403 212266540 /nfs/dbraw/zinc/26/65/40/212266540.db2.gz WSUXQQNLLUGNCE-KDOFPFPSSA-N 1 0 331.485 2.967 50 10 EFCARO COc1ccc(N2CC[NH+](C[C@@H](O)COC3CCCCC3)CC2)cc1 ZINC000020682743 212162535 /nfs/dbraw/zinc/16/25/35/212162535.db2.gz OXOGLPWPIZHARF-GOSISDBHSA-N 1 0 348.487 2.527 50 10 EFCARO CCOc1cccc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)c1O ZINC000020455145 212131650 /nfs/dbraw/zinc/13/16/50/212131650.db2.gz ZVZOLDDUINORCW-SFHVURJKSA-N 1 0 348.487 2.602 50 10 EFCARO Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000019219476 212005235 /nfs/dbraw/zinc/00/52/35/212005235.db2.gz WTXWVINXDFLKRS-KRWDZBQOSA-N 1 0 326.440 2.842 50 10 EFCARO O[C@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCS2 ZINC000016944858 211941966 /nfs/dbraw/zinc/94/19/66/211941966.db2.gz NZDYXPPETDNQIS-SFHVURJKSA-N 1 0 329.420 2.996 50 10 EFCARO C=C1[NH+]=C(SC)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000000758774 471375166 /nfs/dbraw/zinc/37/51/66/471375166.db2.gz BRMLGFHUJIEPJR-HNNXBMFYSA-N 1 0 333.457 2.953 50 10 EFCARO COc1ccc(C[NH2+]Cc2cccs2)cc1CN1CCOCC1 ZINC000013736044 471842457 /nfs/dbraw/zinc/84/24/57/471842457.db2.gz HHUHBZQRBPXIHZ-UHFFFAOYSA-N 1 0 332.469 2.879 50 10 EFCARO CCN(CC)c1ccc(C[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000019633830 471982179 /nfs/dbraw/zinc/98/21/79/471982179.db2.gz MSDAYSOEWLZJMW-UHFFFAOYSA-N 1 0 325.460 2.645 50 10 EFCARO CN1CCCc2cc([C@H](CNC(=O)NC(C)(C)C)[NH+](C)C)ccc21 ZINC000035597165 471996922 /nfs/dbraw/zinc/99/69/22/471996922.db2.gz QTEXHLWDKQBNLN-KRWDZBQOSA-N 1 0 332.492 2.769 50 10 EFCARO Nc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000827848700 1267503926 /nfs/dbraw/zinc/50/39/26/1267503926.db2.gz MQYJZHGGCLOXAY-MRXNPFEDSA-N 1 0 329.469 2.654 50 10 EFCARO COCc1cc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)ccc1OC ZINC000952974083 1284948000 /nfs/dbraw/zinc/94/80/00/1284948000.db2.gz IUHXFZHGZIYTIR-UHFFFAOYSA-N 1 0 327.384 2.713 50 10 EFCARO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)c1 ZINC000023282114 717911391 /nfs/dbraw/zinc/91/13/91/717911391.db2.gz HGIODAIDZRXFAE-UHFFFAOYSA-N 1 0 329.396 2.976 50 10 EFCARO CCOc1ccc(C[NH2+][C@H](C)Cc2cnccn2)cc1COC(C)=O ZINC000055244720 214294135 /nfs/dbraw/zinc/29/41/35/214294135.db2.gz BIZXWRYEQZUQCB-CQSZACIVSA-N 1 0 343.427 2.659 50 10 EFCARO COC(=O)Cc1cc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)n[nH]1 ZINC000067588177 215164998 /nfs/dbraw/zinc/16/49/98/215164998.db2.gz GPMRMBPMNXCAFV-UHFFFAOYSA-N 1 0 343.427 2.519 50 10 EFCARO Oc1ccc(Cl)cc1C[N@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000020776514 212170535 /nfs/dbraw/zinc/17/05/35/212170535.db2.gz FZCOLHGWVVTVIC-HNNXBMFYSA-N 1 0 348.834 2.547 50 10 EFCARO OCC[C@H]1CN(Cc2ccccc2O)CC[N@@H+]1CC1CCCCC1 ZINC000020541255 212146256 /nfs/dbraw/zinc/14/62/56/212146256.db2.gz HDERCHWRZADXIW-IBGZPJMESA-N 1 0 332.488 2.841 50 10 EFCARO COc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3OC)CC2)c1 ZINC000019551591 212041190 /nfs/dbraw/zinc/04/11/90/212041190.db2.gz KRDMFRHLNHQYHI-UHFFFAOYSA-N 1 0 342.439 2.727 50 10 EFCARO Oc1ccccc1C1=NC2(CC[NH2+]CC2)N[C@H](c2ccccc2O)C1 ZINC000080324811 217297868 /nfs/dbraw/zinc/29/78/68/217297868.db2.gz AMSCWUWRTWDEHU-INIZCTEOSA-N 1 0 337.423 2.701 50 10 EFCARO COc1cccc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1O ZINC000005045792 210373563 /nfs/dbraw/zinc/37/35/63/210373563.db2.gz FFQZJACGPAMTHX-UHFFFAOYSA-N 1 0 346.471 2.871 50 10 EFCARO Cc1ccc(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1C ZINC000004362605 471463901 /nfs/dbraw/zinc/46/39/01/471463901.db2.gz ZXEFTMQOVJESFF-UHFFFAOYSA-N 1 0 337.467 2.985 50 10 EFCARO CN1CCCc2cc([C@@H](CNC(=O)NC(C)(C)C)[NH+](C)C)ccc21 ZINC000035597166 471996853 /nfs/dbraw/zinc/99/68/53/471996853.db2.gz QTEXHLWDKQBNLN-QGZVFWFLSA-N 1 0 332.492 2.769 50 10 EFCARO COc1ccc(N2CCN([C@@H](c3cccs3)[C@@H](C)[NH3+])CC2)cc1 ZINC000021948405 472007449 /nfs/dbraw/zinc/00/74/49/472007449.db2.gz WSUXQQNLLUGNCE-RDTXWAMCSA-N 1 0 331.485 2.967 50 10 EFCARO CC(C)C[N@@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO ZINC000058494587 472575514 /nfs/dbraw/zinc/57/55/14/472575514.db2.gz VSQRXVFKEZQJGQ-MRXNPFEDSA-N 1 0 326.868 2.570 50 10 EFCARO COc1ccc([C@H](O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000062005033 472727601 /nfs/dbraw/zinc/72/76/01/472727601.db2.gz HBLGUORAKVBALI-HXUWFJFHSA-N 1 0 342.439 2.559 50 10 EFCARO CCn1cnnc1CC[NH2+]C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506421514 1405762022 /nfs/dbraw/zinc/76/20/22/1405762022.db2.gz ILXKSOFUNQMRIS-UHFFFAOYSA-N 1 0 339.487 2.588 50 10 EFCARO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1O ZINC000023281974 212366741 /nfs/dbraw/zinc/36/67/41/212366741.db2.gz XLNARJXJDUHMIR-UHFFFAOYSA-N 1 0 329.396 2.976 50 10 EFCARO CN(C)c1ccc([C@H](CNC(=O)NCc2ccccc2)[NH+](C)C)cc1 ZINC000022418294 212296803 /nfs/dbraw/zinc/29/68/03/212296803.db2.gz FSNSAXINAVVTIC-IBGZPJMESA-N 1 0 340.471 2.855 50 10 EFCARO COc1cccc(CN2CC[N@@H+](C3CCCCC3)[C@@H](CCO)C2)c1O ZINC000020203759 212110571 /nfs/dbraw/zinc/11/05/71/212110571.db2.gz PXLJPWLJBFSGLN-SFHVURJKSA-N 1 0 348.487 2.602 50 10 EFCARO CCN1CC[NH+](Cc2cc(-c3cccc(OC)n3)ccc2O)CC1 ZINC000020136819 212105004 /nfs/dbraw/zinc/10/50/04/212105004.db2.gz YIRSLHNHMXATAT-UHFFFAOYSA-N 1 0 327.428 2.600 50 10 EFCARO CN(C)c1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)[NH+](C)C)cc1 ZINC000005097708 210389851 /nfs/dbraw/zinc/38/98/51/210389851.db2.gz MBCDZVTYTIPFGI-LJQANCHMSA-N 1 0 343.446 2.853 50 10 EFCARO COc1ccc([N+]2=C3SCCCN3[C@](O)(c3ccccc3)C2)cc1 ZINC000000425730 471359026 /nfs/dbraw/zinc/35/90/26/471359026.db2.gz NVQNLNRNHXUJBS-LJQANCHMSA-N 1 0 341.456 2.866 50 10 EFCARO COc1cccc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1O ZINC000005677429 471516343 /nfs/dbraw/zinc/51/63/43/471516343.db2.gz PHVJWTPDIDESGE-HNNXBMFYSA-N 1 0 346.471 2.871 50 10 EFCARO CN1CC[NH+]([C@@H](c2cccnc2)c2ccc3cccnc3c2O)CC1 ZINC000020507279 471991522 /nfs/dbraw/zinc/99/15/22/471991522.db2.gz HSRHOKLBADNCMO-IBGZPJMESA-N 1 0 334.423 2.672 50 10 EFCARO COc1ccc(N2CCN([C@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000022914443 472023900 /nfs/dbraw/zinc/02/39/00/472023900.db2.gz UCTLLBXNFPYFNI-IBGZPJMESA-N 1 0 329.488 2.692 50 10 EFCARO COc1ccc(N2CCN([C@@H]3CCC[N@H+](CC4CC4)C3)CC2)cc1 ZINC000022914438 472023952 /nfs/dbraw/zinc/02/39/52/472023952.db2.gz UCTLLBXNFPYFNI-LJQANCHMSA-N 1 0 329.488 2.692 50 10 EFCARO CCCN1CCCc2cc(C[NH2+]CCCN3CCOCC3)ccc21 ZINC000032919783 472480489 /nfs/dbraw/zinc/48/04/89/472480489.db2.gz HBZOEORDKHAEHQ-UHFFFAOYSA-N 1 0 331.504 2.661 50 10 EFCARO COc1ccc(N2CC[NH+](C[C@H](O)c3cccc(OC)c3)CC2)cc1 ZINC000062005030 472727721 /nfs/dbraw/zinc/72/77/21/472727721.db2.gz VBXXCVCJIUCYRU-FQEVSTJZSA-N 1 0 342.439 2.559 50 10 EFCARO Cc1nnsc1C[N@@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065370070 472926571 /nfs/dbraw/zinc/92/65/71/472926571.db2.gz ICSCJZWWISMZTF-UHFFFAOYSA-N 1 0 346.456 2.676 50 10 EFCARO OCC[C@H]1C[N@H+](Cc2ccccc2O)CCN1Cc1ccccc1F ZINC000107100415 472927231 /nfs/dbraw/zinc/92/72/31/472927231.db2.gz LSJMBALNVQMUHY-SFHVURJKSA-N 1 0 344.430 2.600 50 10 EFCARO