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 202061142 /nfs/dbraw/zinc/06/11/42/202061142.db2.gz RXRGQVIQGJANOT-KRWDZBQOSA-N 1 1 340.895 2.960 50 10 EFCAMO COc1ccc(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)cc1 ZINC000077440939 203389189 /nfs/dbraw/zinc/38/91/89/203389189.db2.gz FVPYYGPWVKTTFY-SFHVURJKSA-N 1 1 345.487 2.607 50 10 EFCAMO COc1ccc(N2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000055543616 132195788 /nfs/dbraw/zinc/19/57/88/132195788.db2.gz FDDSJEWIHPNFPZ-UHFFFAOYSA-N 1 1 327.384 2.926 50 10 EFCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2O)N3)C1 ZINC000006891470 471576338 /nfs/dbraw/zinc/57/63/38/471576338.db2.gz RTVYKCVNOMTQRT-OAHLLOKOSA-N 1 1 329.425 2.686 50 10 EFCAMO Oc1ccccc1C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000011974229 471762259 /nfs/dbraw/zinc/76/22/59/471762259.db2.gz WOBRPGFQIILEQA-UHFFFAOYSA-N 1 1 348.450 2.827 50 10 EFCAMO CC[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000067920244 215249847 /nfs/dbraw/zinc/24/98/47/215249847.db2.gz XRZYORUVKXHYNL-OAHLLOKOSA-N 1 1 325.474 2.699 50 10 EFCAMO CC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000067920244 215249850 /nfs/dbraw/zinc/24/98/50/215249850.db2.gz XRZYORUVKXHYNL-OAHLLOKOSA-N 1 1 325.474 2.699 50 10 EFCAMO CC(C)=CC[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO ZINC000104510879 219391934 /nfs/dbraw/zinc/39/19/34/219391934.db2.gz YWPFBKOHXDTLDK-QGZVFWFLSA-N 1 1 338.879 2.880 50 10 EFCAMO COc1ccc(O)c(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)c1 ZINC000039510380 213238335 /nfs/dbraw/zinc/23/83/35/213238335.db2.gz COURLZIPFSFUCR-GOSISDBHSA-N 1 1 348.487 2.602 50 10 EFCAMO Oc1ccc(Cl)cc1C[N@@H+]1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000020776517 212169989 /nfs/dbraw/zinc/16/99/89/212169989.db2.gz FZCOLHGWVVTVIC-OAHLLOKOSA-N 1 1 348.834 2.547 50 10 EFCAMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3O)C[C@@H]2CCO)cc1 ZINC000020541193 212145657 /nfs/dbraw/zinc/14/56/57/212145657.db2.gz RDJXULXBRPKNQZ-FQEVSTJZSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3O)C[C@@H]2CCO)cc1 ZINC000020541193 212145659 /nfs/dbraw/zinc/14/56/59/212145659.db2.gz RDJXULXBRPKNQZ-FQEVSTJZSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3O)C[C@@H]2CCO)cc1 ZINC000020541193 212145660 /nfs/dbraw/zinc/14/56/60/212145660.db2.gz RDJXULXBRPKNQZ-FQEVSTJZSA-N 1 1 340.467 2.769 50 10 EFCAMO COc1ccc(N2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055543802 132196229 /nfs/dbraw/zinc/19/62/29/132196229.db2.gz UAJYOJGHDFDNRI-UHFFFAOYSA-N 1 1 327.384 2.926 50 10 EFCAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2O)N3)C1 ZINC000006891465 276236525 /nfs/dbraw/zinc/23/65/25/276236525.db2.gz RTVYKCVNOMTQRT-HNNXBMFYSA-N 1 1 329.425 2.686 50 10 EFCAMO Cc1c(O)c(C[NH2+]Cc2ccncc2)cc2c3c(c(=O)oc12)CCC3 ZINC000005426650 471504413 /nfs/dbraw/zinc/50/44/13/471504413.db2.gz VOHCJIVUPLMTBZ-UHFFFAOYSA-N 1 1 336.391 2.981 50 10 EFCAMO COc1ccc(N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)cc1 ZINC000077440941 472527780 /nfs/dbraw/zinc/52/77/80/472527780.db2.gz FVPYYGPWVKTTFY-GOSISDBHSA-N 1 1 345.487 2.607 50 10 EFCAMO COc1ccc(N2CC[N@H+](Cc3cccnc3OC)[C@H](C)C2)cc1 ZINC000670469762 547495427 /nfs/dbraw/zinc/49/54/27/547495427.db2.gz CEYFFVHBQKITBT-OAHLLOKOSA-N 1 1 327.428 2.810 50 10 EFCAMO COc1ccc(N2CC[N@@H+](Cc3cccnc3OC)[C@H](C)C2)cc1 ZINC000670469762 547495430 /nfs/dbraw/zinc/49/54/30/547495430.db2.gz CEYFFVHBQKITBT-OAHLLOKOSA-N 1 1 327.428 2.810 50 10 EFCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](CC(C)C)C3)CC2)cc1 ZINC000022913384 724805142 /nfs/dbraw/zinc/80/51/42/724805142.db2.gz SDOZKHHTUJPXNN-LJQANCHMSA-N 1 1 331.504 2.938 50 10 EFCAMO CC(C)C[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC000023373146 212373191 /nfs/dbraw/zinc/37/31/91/212373191.db2.gz VSQRXVFKEZQJGQ-INIZCTEOSA-N 1 1 326.868 2.570 50 10 EFCAMO OCC[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1Cc1ccc(F)cc1 ZINC000022852949 212328919 /nfs/dbraw/zinc/32/89/19/212328919.db2.gz VKYHILAJTLJRTQ-LJQANCHMSA-N 1 1 344.430 2.600 50 10 EFCAMO OCC[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1C1CCCC1 ZINC000020599285 212150734 /nfs/dbraw/zinc/15/07/34/212150734.db2.gz DVKDKYCNYAVQLI-QGZVFWFLSA-N 1 1 338.879 2.857 50 10 EFCAMO COc1ccc(N2CCC([N@@H+](C)CCCn3cccn3)CC2)cc1 ZINC000670437318 547489249 /nfs/dbraw/zinc/48/92/49/547489249.db2.gz IWKLDTAWSIUECU-UHFFFAOYSA-N 1 1 328.460 2.883 50 10 EFCAMO COc1ccc(N2CC[N@H+](Cc3cccnc3OC)[C@@H](C)C2)cc1 ZINC000670469761 547495074 /nfs/dbraw/zinc/49/50/74/547495074.db2.gz CEYFFVHBQKITBT-HNNXBMFYSA-N 1 1 327.428 2.810 50 10 EFCAMO COc1ccc(N2CC[N@@H+](Cc3cccnc3OC)[C@@H](C)C2)cc1 ZINC000670469761 547495078 /nfs/dbraw/zinc/49/50/78/547495078.db2.gz CEYFFVHBQKITBT-HNNXBMFYSA-N 1 1 327.428 2.810 50 10 EFCAMO Nc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000827848699 1267504365 /nfs/dbraw/zinc/50/43/65/1267504365.db2.gz MQYJZHGGCLOXAY-INIZCTEOSA-N 1 1 329.469 2.654 50 10 EFCAMO CNC(=O)[C@H]1CCCC[N@H+]1C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506409367 1405755355 /nfs/dbraw/zinc/75/53/55/1405755355.db2.gz WQVZQPWTJQTIIX-HXUWFJFHSA-N 1 1 341.499 2.745 50 10 EFCAMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H]3[C@H](C(=O)NCc4ccco4)[C@H]3C2)c1 ZINC000102871519 219236976 /nfs/dbraw/zinc/23/69/76/219236976.db2.gz ZXMTYEHEDVFTCX-PIIMJCKOSA-N 1 1 340.423 2.596 50 10 EFCAMO Cc1ccc(O)c([C@H](c2ccc3c(c2)OCO3)[NH+]2CCOCC2)c1 ZINC000019909767 212083027 /nfs/dbraw/zinc/08/30/27/212083027.db2.gz IIYRPJXLNWSQNX-IBGZPJMESA-N 1 1 327.380 2.851 50 10 EFCAMO Cc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000005029521 210367677 /nfs/dbraw/zinc/36/76/77/210367677.db2.gz GLDBKXQJVBLMMN-OAHLLOKOSA-N 1 1 329.425 2.604 50 10 EFCAMO Cc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000005029521 210367680 /nfs/dbraw/zinc/36/76/80/210367680.db2.gz GLDBKXQJVBLMMN-OAHLLOKOSA-N 1 1 329.425 2.604 50 10 EFCAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)c1O ZINC000065408258 472936871 /nfs/dbraw/zinc/93/68/71/472936871.db2.gz WJNDQCQPCJEAAM-CQSZACIVSA-N 1 1 326.396 2.891 50 10 EFCAMO OCC[C@@H]1CN(Cc2ccccc2O)CC[N@H+]1CC1CCCCC1 ZINC000020541254 202049301 /nfs/dbraw/zinc/04/93/01/202049301.db2.gz HDERCHWRZADXIW-LJQANCHMSA-N 1 1 332.488 2.841 50 10 EFCAMO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(O)c3)CC2)cc1 ZINC000000239677 206208738 /nfs/dbraw/zinc/20/87/38/206208738.db2.gz WLZCRMHUOWFBAL-UHFFFAOYSA-N 1 1 328.412 2.732 50 10 EFCAMO COc1ccc(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055543269 132195564 /nfs/dbraw/zinc/19/55/64/132195564.db2.gz LBOQZHOBZIYQFN-UHFFFAOYSA-N 1 1 327.384 2.926 50 10 EFCAMO COc1cc(Br)cc(C[N@@H+](C)C2CCN(C)CC2)c1O ZINC000016662812 1313536972 /nfs/dbraw/zinc/53/69/72/1313536972.db2.gz JQRYSSWQNAQMCA-UHFFFAOYSA-N 1 1 343.265 2.689 50 10 EFCAMO COc1ccc(N2CC[N@@H+](Cc3ccc4nonc4c3)[C@H](C)C2)cc1 ZINC000072149885 216038648 /nfs/dbraw/zinc/03/86/48/216038648.db2.gz SVDLAVPNMMZHEU-CQSZACIVSA-N 1 1 338.411 2.942 50 10 EFCAMO CC(C)=CC[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO ZINC000020515911 212142321 /nfs/dbraw/zinc/14/23/21/212142321.db2.gz YWPFBKOHXDTLDK-KRWDZBQOSA-N 1 1 338.879 2.880 50 10 EFCAMO COc1cccc(O)c1[C@H]1c2[nH]cnc2CC[N@@H+]1CCCSC ZINC000067490318 278018420 /nfs/dbraw/zinc/01/84/20/278018420.db2.gz YYVCJFXATWLWMQ-KRWDZBQOSA-N 1 1 333.457 2.825 50 10 EFCAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(O)c2)N3)C1 ZINC000000535963 290252734 /nfs/dbraw/zinc/25/27/34/290252734.db2.gz YZWWUKWPGWEOOB-CQSZACIVSA-N 1 1 331.397 2.576 50 10 EFCAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)c(O)c2)N3)C1 ZINC000000535963 290252736 /nfs/dbraw/zinc/25/27/36/290252736.db2.gz YZWWUKWPGWEOOB-CQSZACIVSA-N 1 1 331.397 2.576 50 10 EFCAMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)c1 ZINC000065504828 472960207 /nfs/dbraw/zinc/96/02/07/472960207.db2.gz OLYDSECUFCZBMF-FUHWJXTLSA-N 1 1 341.407 2.780 50 10 EFCAMO Cc1n[nH]cc1C[N@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952983457 1284981217 /nfs/dbraw/zinc/98/12/17/1284981217.db2.gz FHKOOVHHKYPXSW-UHFFFAOYSA-N 1 1 328.416 2.548 50 10 EFCAMO Cc1[nH]ncc1C[N@@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952983457 1284981223 /nfs/dbraw/zinc/98/12/23/1284981223.db2.gz FHKOOVHHKYPXSW-UHFFFAOYSA-N 1 1 328.416 2.548 50 10 EFCAMO Cc1[nH]ncc1C[N@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952983457 1284981233 /nfs/dbraw/zinc/98/12/33/1284981233.db2.gz FHKOOVHHKYPXSW-UHFFFAOYSA-N 1 1 328.416 2.548 50 10 EFCAMO COc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000003684252 718408985 /nfs/dbraw/zinc/40/89/85/718408985.db2.gz BWHSGNQCTCHYBU-UHFFFAOYSA-N 1 1 326.396 2.746 50 10 EFCAMO COc1cccc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)c1O ZINC000039364419 213235117 /nfs/dbraw/zinc/23/51/17/213235117.db2.gz PXLJPWLJBFSGLN-GOSISDBHSA-N 1 1 348.487 2.602 50 10 EFCAMO OCC[C@H]1C[N@@H+](Cc2ccccc2O)CCN1Cc1ccc(F)cc1 ZINC000023144494 212355518 /nfs/dbraw/zinc/35/55/18/212355518.db2.gz VKYHILAJTLJRTQ-IBGZPJMESA-N 1 1 344.430 2.600 50 10 EFCAMO OCC[C@H]1CN(Cc2cc(Cl)ccc2O)CC[N@H+]1C1CCCC1 ZINC000020599286 212151288 /nfs/dbraw/zinc/15/12/88/212151288.db2.gz DVKDKYCNYAVQLI-KRWDZBQOSA-N 1 1 338.879 2.857 50 10 EFCAMO COc1ccc(N2CCC([NH2+][C@H](C)Cc3cc(C)[nH]n3)CC2)cc1 ZINC000067739703 472081394 /nfs/dbraw/zinc/08/13/94/472081394.db2.gz OCVNFOSQLGLUGP-CQSZACIVSA-N 1 1 328.460 2.916 50 10 EFCAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ncccn3)ccc2O)C1 ZINC000020819092 1314727009 /nfs/dbraw/zinc/72/70/09/1314727009.db2.gz AOLZHVMBPGHCSF-HNNXBMFYSA-N 1 1 341.411 2.624 50 10 EFCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](CC(C)C)C3)CC2)cc1 ZINC000022913388 715405719 /nfs/dbraw/zinc/40/57/19/715405719.db2.gz SDOZKHHTUJPXNN-IBGZPJMESA-N 1 1 331.504 2.938 50 10 EFCAMO COc1ccc(N2CC[N@@H+](Cc3ccc4nonc4c3)[C@@H](C)C2)cc1 ZINC000072149886 216037750 /nfs/dbraw/zinc/03/77/50/216037750.db2.gz SVDLAVPNMMZHEU-AWEZNQCLSA-N 1 1 338.411 2.942 50 10 EFCAMO COc1ccc(O)c(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c1 ZINC000020256190 212114697 /nfs/dbraw/zinc/11/46/97/212114697.db2.gz COURLZIPFSFUCR-SFHVURJKSA-N 1 1 348.487 2.602 50 10 EFCAMO Oc1ccc(Br)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000004988017 471481422 /nfs/dbraw/zinc/48/14/22/471481422.db2.gz SQTXGDVAXOEVFI-UHFFFAOYSA-N 1 1 348.244 2.872 50 10 EFCAMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccccn3)C2)c1O ZINC000065408256 472937132 /nfs/dbraw/zinc/93/71/32/472937132.db2.gz WJNDQCQPCJEAAM-AWEZNQCLSA-N 1 1 326.396 2.891 50 10 EFCAMO CCOc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1O ZINC000005010320 717704361 /nfs/dbraw/zinc/70/43/61/717704361.db2.gz WFLPRDXYVBKDRZ-ZBFHGGJFSA-N 1 1 340.423 2.572 50 10 EFCAMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000019219468 212005299 /nfs/dbraw/zinc/00/52/99/212005299.db2.gz WTXWVINXDFLKRS-QGZVFWFLSA-N 1 1 326.440 2.842 50 10 EFCAMO COc1ccc(N2CCC([NH2+][C@@H](C)Cc3cc(C)[nH]n3)CC2)cc1 ZINC000067739704 472081954 /nfs/dbraw/zinc/08/19/54/472081954.db2.gz OCVNFOSQLGLUGP-AWEZNQCLSA-N 1 1 328.460 2.916 50 10 EFCAMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3O)C[C@H]2CCO)cc1 ZINC000104525033 472675420 /nfs/dbraw/zinc/67/54/20/472675420.db2.gz RDJXULXBRPKNQZ-HXUWFJFHSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3O)C[C@H]2CCO)cc1 ZINC000104525033 472675428 /nfs/dbraw/zinc/67/54/28/472675428.db2.gz RDJXULXBRPKNQZ-HXUWFJFHSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3O)C[C@H]2CCO)cc1 ZINC000104525033 472675434 /nfs/dbraw/zinc/67/54/34/472675434.db2.gz RDJXULXBRPKNQZ-HXUWFJFHSA-N 1 1 340.467 2.769 50 10 EFCAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(-c3ncccn3)ccc2O)C1 ZINC000020819089 723872126 /nfs/dbraw/zinc/87/21/26/723872126.db2.gz AOLZHVMBPGHCSF-OAHLLOKOSA-N 1 1 341.411 2.624 50 10 EFCAMO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055074649 214269761 /nfs/dbraw/zinc/26/97/61/214269761.db2.gz YVWAOAFGSFNGEB-INIZCTEOSA-N 1 1 328.412 2.856 50 10 EFCAMO COc1cccc(O)c1CN1CC[N@H+](C2CCCCC2)[C@H](CCO)C1 ZINC000022852919 212329884 /nfs/dbraw/zinc/32/98/84/212329884.db2.gz VIQNCOFUJLZDGR-QGZVFWFLSA-N 1 1 348.487 2.602 50 10 EFCAMO OCC[C@@H]1C[N@@H+](Cc2ccccc2O)CCN1Cc1ccccc1F ZINC000076949861 472429624 /nfs/dbraw/zinc/42/96/24/472429624.db2.gz LSJMBALNVQMUHY-GOSISDBHSA-N 1 1 344.430 2.600 50 10 EFCAMO CCOc1ccc(C[NH2+]Cc2nc3cc(F)ccc3[nH]2)cc1CO ZINC000952869838 1284890209 /nfs/dbraw/zinc/89/02/09/1284890209.db2.gz MSOSBPPUPMIFRA-UHFFFAOYSA-N 1 1 329.375 2.883 50 10 EFCAMO CNC(=O)[C@@H]1CCCC[N@H+]1C1CCN(c2ccc3c(c2)CCC3)CC1 ZINC001506409366 1405755064 /nfs/dbraw/zinc/75/50/64/1405755064.db2.gz WQVZQPWTJQTIIX-FQEVSTJZSA-N 1 1 341.499 2.745 50 10 EFCAMO CCn1nc(C)c(C[N@H+](CCOC)Cc2c(O)cccc2OC)c1C ZINC000055255567 214296418 /nfs/dbraw/zinc/29/64/18/214296418.db2.gz PFZGBMRNKWIGPS-UHFFFAOYSA-N 1 1 347.459 2.883 50 10 EFCAMO CCn1nc(C)c(C[N@@H+](CCOC)Cc2c(O)cccc2OC)c1C ZINC000055255567 214296421 /nfs/dbraw/zinc/29/64/21/214296421.db2.gz PFZGBMRNKWIGPS-UHFFFAOYSA-N 1 1 347.459 2.883 50 10 EFCAMO CC(C)CC[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO ZINC000104406156 219385500 /nfs/dbraw/zinc/38/55/00/219385500.db2.gz RXRGQVIQGJANOT-QGZVFWFLSA-N 1 1 340.895 2.960 50 10 EFCAMO CCOc1cccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c1O ZINC000039387761 213235857 /nfs/dbraw/zinc/23/58/57/213235857.db2.gz ZVZOLDDUINORCW-GOSISDBHSA-N 1 1 348.487 2.602 50 10 EFCAMO O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1C[NH+]1CCCC1 ZINC000334163597 258015969 /nfs/dbraw/zinc/01/59/69/258015969.db2.gz YOIFFXOQOCDTCR-ZSOIEALJSA-N 1 1 348.449 2.670 50 10 EFCAMO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000005879310 471523957 /nfs/dbraw/zinc/52/39/57/471523957.db2.gz PUTSJLCZEYTBCK-HNNXBMFYSA-N 1 1 345.424 2.879 50 10 EFCAMO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000005879310 471523962 /nfs/dbraw/zinc/52/39/62/471523962.db2.gz PUTSJLCZEYTBCK-HNNXBMFYSA-N 1 1 345.424 2.879 50 10 EFCAMO O=C1N=C(N2CC[N@H+]3CCC[C@@H]3C2)S/C1=C\c1ccc(F)cc1 ZINC000166630691 473529897 /nfs/dbraw/zinc/52/98/97/473529897.db2.gz URLAKGNUMBZJIX-MKRLJBPISA-N 1 1 331.416 2.576 50 10 EFCAMO Cc1ccccc1CN1CC[N@@H+](Cc2ccccc2O)C[C@H]1CCO ZINC000828747634 1267907367 /nfs/dbraw/zinc/90/73/67/1267907367.db2.gz QLYGOKGNSGMFMW-HXUWFJFHSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccccc1C[N@@H+]1CCN(Cc2ccccc2O)C[C@H]1CCO ZINC000828747634 1267907376 /nfs/dbraw/zinc/90/73/76/1267907376.db2.gz QLYGOKGNSGMFMW-HXUWFJFHSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccccc2O)C[C@H]1CCO ZINC000828747634 1267907381 /nfs/dbraw/zinc/90/73/81/1267907381.db2.gz QLYGOKGNSGMFMW-HXUWFJFHSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccccc1CN1CC[N@@H+](Cc2ccccc2O)C[C@@H]1CCO ZINC000023372930 718115670 /nfs/dbraw/zinc/11/56/70/718115670.db2.gz QLYGOKGNSGMFMW-FQEVSTJZSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccccc1C[N@@H+]1CCN(Cc2ccccc2O)C[C@@H]1CCO ZINC000023372930 718115672 /nfs/dbraw/zinc/11/56/72/718115672.db2.gz QLYGOKGNSGMFMW-FQEVSTJZSA-N 1 1 340.467 2.769 50 10 EFCAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccccc2O)C[C@@H]1CCO ZINC000023372930 718115674 /nfs/dbraw/zinc/11/56/74/718115674.db2.gz QLYGOKGNSGMFMW-FQEVSTJZSA-N 1 1 340.467 2.769 50 10 EFCAMO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055074646 214269638 /nfs/dbraw/zinc/26/96/38/214269638.db2.gz YVWAOAFGSFNGEB-MRXNPFEDSA-N 1 1 328.412 2.856 50 10 EFCAMO CC[N@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000067920245 215249525 /nfs/dbraw/zinc/24/95/25/215249525.db2.gz XRZYORUVKXHYNL-HNNXBMFYSA-N 1 1 325.474 2.699 50 10 EFCAMO CC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)[C@H]1CCS(=O)(=O)C1 ZINC000067920245 215249529 /nfs/dbraw/zinc/24/95/29/215249529.db2.gz XRZYORUVKXHYNL-HNNXBMFYSA-N 1 1 325.474 2.699 50 10 EFCAMO Cc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000005029516 471484162 /nfs/dbraw/zinc/48/41/62/471484162.db2.gz GLDBKXQJVBLMMN-HNNXBMFYSA-N 1 1 329.425 2.604 50 10 EFCAMO Cc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000005029516 471484165 /nfs/dbraw/zinc/48/41/65/471484165.db2.gz GLDBKXQJVBLMMN-HNNXBMFYSA-N 1 1 329.425 2.604 50 10 EFCAMO COc1cccc(O)c1[C@@H]1c2[nH]cnc2CC[N@@H+]1CCCSC ZINC000067490316 472039888 /nfs/dbraw/zinc/03/98/88/472039888.db2.gz YYVCJFXATWLWMQ-QGZVFWFLSA-N 1 1 333.457 2.825 50 10 EFCAMO O=C1N=C(N2CC[N@H+]3CCC[C@H]3C2)S/C1=C\c1ccc(F)cc1 ZINC000166630822 473529282 /nfs/dbraw/zinc/52/92/82/473529282.db2.gz URLAKGNUMBZJIX-QTNMRXCUSA-N 1 1 331.416 2.576 50 10 EFCAMO C[N@H+](Cc1nccs1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952968798 1284965651 /nfs/dbraw/zinc/96/56/51/1284965651.db2.gz FZDHKWCVHIXPCQ-UHFFFAOYSA-N 1 1 331.441 2.973 50 10 EFCAMO C[N@@H+](Cc1nccs1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952968798 1284965661 /nfs/dbraw/zinc/96/56/61/1284965661.db2.gz FZDHKWCVHIXPCQ-UHFFFAOYSA-N 1 1 331.441 2.973 50 10 EFCAMO CC[N@@H+](CCn1cccn1)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000952988555 1284989738 /nfs/dbraw/zinc/98/97/38/1284989738.db2.gz RVKKHKGNWVMOLJ-UHFFFAOYSA-N 1 1 342.443 2.603 50 10 EFCAMO COc1cccc(O)c1CN1CC[N@H+](C2CCCCC2)[C@@H](CCO)C1 ZINC000023130554 212351932 /nfs/dbraw/zinc/35/19/32/212351932.db2.gz VIQNCOFUJLZDGR-KRWDZBQOSA-N 1 1 348.487 2.602 50 10 EFCAMO CCOc1cccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c1O ZINC000020455145 212131654 /nfs/dbraw/zinc/13/16/54/212131654.db2.gz ZVZOLDDUINORCW-SFHVURJKSA-N 1 1 348.487 2.602 50 10 EFCAMO Cc1ccc(O)c([C@@H](c2ccc3c(c2)OCO3)[NH+]2CCOCC2)c1 ZINC000019909770 212082707 /nfs/dbraw/zinc/08/27/07/212082707.db2.gz IIYRPJXLNWSQNX-LJQANCHMSA-N 1 1 327.380 2.851 50 10 EFCAMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000019219476 212005238 /nfs/dbraw/zinc/00/52/38/212005238.db2.gz WTXWVINXDFLKRS-KRWDZBQOSA-N 1 1 326.440 2.842 50 10 EFCAMO Nc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000827848700 1267503938 /nfs/dbraw/zinc/50/39/38/1267503938.db2.gz MQYJZHGGCLOXAY-MRXNPFEDSA-N 1 1 329.469 2.654 50 10 EFCAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)c1 ZINC000023282114 717911400 /nfs/dbraw/zinc/91/14/00/717911400.db2.gz HGIODAIDZRXFAE-UHFFFAOYSA-N 1 1 329.396 2.976 50 10 EFCAMO COC(=O)Cc1cc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)[nH]n1 ZINC000067588177 215165003 /nfs/dbraw/zinc/16/50/03/215165003.db2.gz GPMRMBPMNXCAFV-UHFFFAOYSA-N 1 1 343.427 2.519 50 10 EFCAMO Oc1ccc(Cl)cc1C[N@@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000020776514 212170539 /nfs/dbraw/zinc/17/05/39/212170539.db2.gz FZCOLHGWVVTVIC-HNNXBMFYSA-N 1 1 348.834 2.547 50 10 EFCAMO OCC[C@H]1CN(Cc2ccccc2O)CC[N@H+]1CC1CCCCC1 ZINC000020541255 212146258 /nfs/dbraw/zinc/14/62/58/212146258.db2.gz HDERCHWRZADXIW-IBGZPJMESA-N 1 1 332.488 2.841 50 10 EFCAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1O ZINC000005879311 471524034 /nfs/dbraw/zinc/52/40/34/471524034.db2.gz PUTSJLCZEYTBCK-OAHLLOKOSA-N 1 1 345.424 2.879 50 10 EFCAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1O ZINC000005879311 471524040 /nfs/dbraw/zinc/52/40/40/471524040.db2.gz PUTSJLCZEYTBCK-OAHLLOKOSA-N 1 1 345.424 2.879 50 10 EFCAMO CC(C)C[N@H+]1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO ZINC000058494587 472575524 /nfs/dbraw/zinc/57/55/24/472575524.db2.gz VSQRXVFKEZQJGQ-MRXNPFEDSA-N 1 1 326.868 2.570 50 10 EFCAMO Cc1cc(C[N@@H+](C)C2CCN(c3ccc4c(c3)OCO4)CC2)no1 ZINC000584893144 479274645 /nfs/dbraw/zinc/27/46/45/479274645.db2.gz GLNJXHACIGHOPK-UHFFFAOYSA-N 1 1 329.400 2.813 50 10 EFCAMO Cc1cc(C[N@H+](C)C2CCN(c3ccc4c(c3)OCO4)CC2)no1 ZINC000584893144 479274648 /nfs/dbraw/zinc/27/46/48/479274648.db2.gz GLNJXHACIGHOPK-UHFFFAOYSA-N 1 1 329.400 2.813 50 10 EFCAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1O ZINC000023281974 212366744 /nfs/dbraw/zinc/36/67/44/212366744.db2.gz XLNARJXJDUHMIR-UHFFFAOYSA-N 1 1 329.396 2.976 50 10 EFCAMO COc1cccc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c1O ZINC000020203759 212110573 /nfs/dbraw/zinc/11/05/73/212110573.db2.gz PXLJPWLJBFSGLN-SFHVURJKSA-N 1 1 348.487 2.602 50 10 EFCAMO CC[NH+]1CCN(Cc2cc(-c3cccc(OC)n3)ccc2O)CC1 ZINC000020136819 212105008 /nfs/dbraw/zinc/10/50/08/212105008.db2.gz YIRSLHNHMXATAT-UHFFFAOYSA-N 1 1 327.428 2.600 50 10 EFCAMO CCOC(=O)N1CC[NH+](Cc2cc(-c3ccccn3)ccc2O)CC1 ZINC000299793000 258098256 /nfs/dbraw/zinc/09/82/56/258098256.db2.gz HMUSOGVOHQCPMP-UHFFFAOYSA-N 1 1 341.411 2.728 50 10 EFCAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)c(O)c2)N3)C1 ZINC000004981632 277187355 /nfs/dbraw/zinc/18/73/55/277187355.db2.gz YZWWUKWPGWEOOB-AWEZNQCLSA-N 1 1 331.397 2.576 50 10 EFCAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)c(O)c2)N3)C1 ZINC000004981632 277187357 /nfs/dbraw/zinc/18/73/57/277187357.db2.gz YZWWUKWPGWEOOB-AWEZNQCLSA-N 1 1 331.397 2.576 50 10 EFCAMO COC(=O)c1c(C)oc2ccc(O)c(C[N@H+](C)C3CCN(C)CC3)c21 ZINC000005182458 471488810 /nfs/dbraw/zinc/48/88/10/471488810.db2.gz NSZWBHQWUZBFSV-UHFFFAOYSA-N 1 1 346.427 2.759 50 10 EFCAMO COC(=O)c1c(C)oc2ccc(O)c(C[N@@H+](C)C3CCN(C)CC3)c21 ZINC000005182458 471488814 /nfs/dbraw/zinc/48/88/14/471488814.db2.gz NSZWBHQWUZBFSV-UHFFFAOYSA-N 1 1 346.427 2.759 50 10 EFCAMO COc1ccc(N2CCN([C@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000022914443 472023910 /nfs/dbraw/zinc/02/39/10/472023910.db2.gz UCTLLBXNFPYFNI-IBGZPJMESA-N 1 1 329.488 2.692 50 10 EFCAMO COc1ccc(N2CCN([C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)cc1 ZINC000022914438 472023958 /nfs/dbraw/zinc/02/39/58/472023958.db2.gz UCTLLBXNFPYFNI-LJQANCHMSA-N 1 1 329.488 2.692 50 10 EFCAMO COc1ccc(/C=C2\SC(=S)N(C[NH+]3CCCC3)C2=O)cc1 ZINC000059475379 472627487 /nfs/dbraw/zinc/62/74/87/472627487.db2.gz QMCZJCRWBJQASO-UVTDQMKNSA-N 1 1 334.466 2.950 50 10 EFCAMO Cc1nnsc1C[N@H+](C)C1CCN(c2ccc3c(c2)OCO3)CC1 ZINC000065370070 472926579 /nfs/dbraw/zinc/92/65/79/472926579.db2.gz ICSCJZWWISMZTF-UHFFFAOYSA-N 1 1 346.456 2.676 50 10 EFCAMO OCC[C@H]1C[N@@H+](Cc2ccccc2O)CCN1Cc1ccccc1F ZINC000107100415 472927242 /nfs/dbraw/zinc/92/72/42/472927242.db2.gz LSJMBALNVQMUHY-SFHVURJKSA-N 1 1 344.430 2.600 50 10 EFCAMO CCc1noc(C[NH2+]C2CCN(c3ccc4c(c3)CCC4)CC2)n1 ZINC001506417976 1405759676 /nfs/dbraw/zinc/75/96/76/1405759676.db2.gz DBDHJHJHVPMPKY-UHFFFAOYSA-N 1 1 326.444 2.879 50 10 EFCAMO