smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C[NH+]1CCOCC1)OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588428825 777159320 /nfs/dbraw/zinc/15/93/20/777159320.db2.gz SUJUQOXALVKNNW-ZZKXABKFSA-N 1 2 310.781 2.012 10 0 DEAELO C[C@H]1C[C@@H]([NH2+][C@H]2CON(C(=O)OC(C)(C)C)C2)c2nccn21 ZINC000724653828 777434967 /nfs/dbraw/zinc/43/49/67/777434967.db2.gz MKBKHAHIYOIFLI-QJPTWQEYSA-N 1 2 308.382 2.029 10 0 DEAELO Cc1nn(C)c(CNCc2nc(C[NH+](C)C)cs2)c1Cl ZINC000722382896 778680620 /nfs/dbraw/zinc/68/06/20/778680620.db2.gz NQUPWYGLOBNCPA-UHFFFAOYSA-N 1 2 313.858 2.190 10 0 DEAELO COC1(OC)CC[C@@H]1[NH2+]Cc1ncc(Br)s1 ZINC000714065314 792282586 /nfs/dbraw/zinc/28/25/86/792282586.db2.gz XZXJLXSNCJQLIH-ZETCQYMHSA-N 1 2 307.213 2.147 10 0 DEAELO O=C(NNc1cc[nH+]cc1Cl)[C@H]1CC(=O)Nc2ccccc21 ZINC000135880049 797962432 /nfs/dbraw/zinc/96/24/32/797962432.db2.gz LTOBOXFOODUGID-JTQLQIEISA-N 1 2 316.748 2.304 10 0 DEAELO O=C(N[C@H]1COc2ccccc21)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177464893 1086063639 /nfs/dbraw/zinc/06/36/39/1086063639.db2.gz IOALFBWXVMEBFG-ZFWWWQNUSA-N 1 2 312.373 2.191 10 0 DEAELO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(C[C@H]2CCCO2)no1 ZINC000705992138 1086629186 /nfs/dbraw/zinc/62/91/86/1086629186.db2.gz XDTSHNPJPRXZCG-JGGQBBKZSA-N 1 2 317.389 2.396 10 0 DEAELO CCn1nc(C)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1C ZINC000180612155 1090625957 /nfs/dbraw/zinc/62/59/57/1090625957.db2.gz SXIIPUZDBKMYLW-AWEZNQCLSA-N 1 2 316.409 2.413 10 0 DEAELO CCCNC(=O)C[NH+](CC(=O)NCCC)[C@H](C)c1ccccc1 ZINC000078946656 185133454 /nfs/dbraw/zinc/13/34/54/185133454.db2.gz FGTUTSFXSAZLOE-OAHLLOKOSA-N 1 2 319.449 2.102 10 0 DEAELO O=C(C[C@@H]1CCCSC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315869 185175801 /nfs/dbraw/zinc/17/58/01/185175801.db2.gz NNTOIZWTWHEJEN-AWEZNQCLSA-N 1 2 305.447 2.264 10 0 DEAELO O=C([C@@H](O)C1CCCCC1)N1CC[NH2+][C@H](c2cccc(F)c2)C1 ZINC000328705272 231316507 /nfs/dbraw/zinc/31/65/07/231316507.db2.gz LBIIDNWFUGHXEF-IRXDYDNUSA-N 1 2 320.408 2.240 10 0 DEAELO Ic1ccc(C[NH2+]Cc2ccon2)o1 ZINC000088052797 185238011 /nfs/dbraw/zinc/23/80/11/185238011.db2.gz MVNTUWRVWFMTLH-UHFFFAOYSA-N 1 2 304.087 2.162 10 0 DEAELO Cc1cn2c([nH+]1)[C@H](CNC(=O)c1ccnc(C3CC3)n1)CCC2 ZINC000328843486 231364596 /nfs/dbraw/zinc/36/45/96/231364596.db2.gz UWTPMRCCTUPKJZ-ZDUSSCGKSA-N 1 2 311.389 2.166 10 0 DEAELO COc1cc(C)cc(C(=O)NCc2[nH+]ccn2CC(C)C)c1O ZINC000175923020 282196689 /nfs/dbraw/zinc/19/66/89/282196689.db2.gz UYJWCBWPTVKFGT-UHFFFAOYSA-N 1 2 317.389 2.492 10 0 DEAELO Nc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000088417028 185249289 /nfs/dbraw/zinc/24/92/89/185249289.db2.gz UZIDMCRMCSWRJC-SNVBAGLBSA-N 1 2 301.312 2.482 10 0 DEAELO Nc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000088417028 185249290 /nfs/dbraw/zinc/24/92/90/185249290.db2.gz UZIDMCRMCSWRJC-SNVBAGLBSA-N 1 2 301.312 2.482 10 0 DEAELO CCOC(=O)[C@@H]([NH3+])[C@H](O)c1cc(Cl)ccc1Br ZINC000090301439 185290153 /nfs/dbraw/zinc/29/01/53/185290153.db2.gz DJUKJCDNAVOLNJ-VHSXEESVSA-N 1 2 322.586 2.026 10 0 DEAELO O=C(N1CC[N@@H+](C2CC2)C[C@@H]1Cc1ccccc1)C(F)(F)F ZINC000090690022 185309773 /nfs/dbraw/zinc/30/97/73/185309773.db2.gz NQCPTBRTWLSARL-AWEZNQCLSA-N 1 2 312.335 2.467 10 0 DEAELO O=C(N1CC[N@H+](C2CC2)C[C@@H]1Cc1ccccc1)C(F)(F)F ZINC000090690022 185309774 /nfs/dbraw/zinc/30/97/74/185309774.db2.gz NQCPTBRTWLSARL-AWEZNQCLSA-N 1 2 312.335 2.467 10 0 DEAELO CCOC(=O)C[N@H+](C[C@H]1COc2ccccc2O1)C1CCC1 ZINC000613492824 362127877 /nfs/dbraw/zinc/12/78/77/362127877.db2.gz WZKYBQXKYUGBQA-AWEZNQCLSA-N 1 2 305.374 2.244 10 0 DEAELO CCOC(=O)C[N@@H+](C[C@H]1COc2ccccc2O1)C1CCC1 ZINC000613492824 362127881 /nfs/dbraw/zinc/12/78/81/362127881.db2.gz WZKYBQXKYUGBQA-AWEZNQCLSA-N 1 2 305.374 2.244 10 0 DEAELO Cn1c(C[NH2+][C@@H](CCO)c2ccco2)nnc1-c1ccccc1 ZINC000185097348 282259768 /nfs/dbraw/zinc/25/97/68/282259768.db2.gz VORKYXTYSZMADC-AWEZNQCLSA-N 1 2 312.373 2.288 10 0 DEAELO CCn1c(C)nnc1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000181414040 199293125 /nfs/dbraw/zinc/29/31/25/199293125.db2.gz GRIJRDRNYZQUMI-AWEZNQCLSA-N 1 2 310.348 2.362 10 0 DEAELO Cc1ncc(C[NH2+]Cc2cc(C(N)=O)co2)n1-c1ccccc1 ZINC000189414923 282309088 /nfs/dbraw/zinc/30/90/88/282309088.db2.gz ICXCTLHJPHIPIA-UHFFFAOYSA-N 1 2 310.357 2.162 10 0 DEAELO Cc1[nH+]cc(CNCc2cc(C(N)=O)co2)n1-c1ccccc1 ZINC000189414923 282309091 /nfs/dbraw/zinc/30/90/91/282309091.db2.gz ICXCTLHJPHIPIA-UHFFFAOYSA-N 1 2 310.357 2.162 10 0 DEAELO CC(=O)c1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)s1 ZINC000614107267 362291137 /nfs/dbraw/zinc/29/11/37/362291137.db2.gz RWRLWCMKTZDMCS-VXGBXAGGSA-N 1 2 310.394 2.209 10 0 DEAELO C[C@H]1CN(c2ccc(CNC(=O)[C@H]3CC3(C)C)c[nH+]2)C[C@H](C)O1 ZINC000124028675 539467862 /nfs/dbraw/zinc/46/78/62/539467862.db2.gz OZXFDXNAEFKOHE-KCQAQPDRSA-N 1 2 317.433 2.358 10 0 DEAELO c1cn(C[C@@H]2CCC[N@H+](Cc3nc(C4CCCC4)no3)C2)nn1 ZINC000162617171 539597888 /nfs/dbraw/zinc/59/78/88/539597888.db2.gz MQLKGJOPHNMFJP-CYBMUJFWSA-N 1 2 316.409 2.231 10 0 DEAELO c1cn(C[C@@H]2CCC[N@@H+](Cc3nc(C4CCCC4)no3)C2)nn1 ZINC000162617171 539597892 /nfs/dbraw/zinc/59/78/92/539597892.db2.gz MQLKGJOPHNMFJP-CYBMUJFWSA-N 1 2 316.409 2.231 10 0 DEAELO CC(C)C[C@H]1[NH2+][C@H](C(C)C)N(CCOCC(F)(F)F)C1=O ZINC000126879163 185900184 /nfs/dbraw/zinc/90/01/84/185900184.db2.gz ODNRJJBIHLPKHM-NEPJUHHUSA-N 1 2 310.360 2.394 10 0 DEAELO CC(C)(C)OC(=O)Nc1cccc([C@H]2COCC[N@@H+]2CCO)c1 ZINC000616636885 362901890 /nfs/dbraw/zinc/90/18/90/362901890.db2.gz HKLRXSYABKHCKY-OAHLLOKOSA-N 1 2 322.405 2.399 10 0 DEAELO CC(C)(C)OC(=O)Nc1cccc([C@H]2COCC[N@H+]2CCO)c1 ZINC000616636885 362901894 /nfs/dbraw/zinc/90/18/94/362901894.db2.gz HKLRXSYABKHCKY-OAHLLOKOSA-N 1 2 322.405 2.399 10 0 DEAELO CS(=O)(=O)N1CC[C@H](Nc2cccc[nH+]2)c2ccccc21 ZINC000616675118 362907380 /nfs/dbraw/zinc/90/73/80/362907380.db2.gz IPYOGNAGUBFRAA-ZDUSSCGKSA-N 1 2 303.387 2.405 10 0 DEAELO O=C(NCCn1cc[nH+]c1)N(C[C@H]1CCCO1)C1CCCC1 ZINC000175584106 539624421 /nfs/dbraw/zinc/62/44/21/539624421.db2.gz MIGZLPDVFHIWIX-OAHLLOKOSA-N 1 2 306.410 2.016 10 0 DEAELO CN(C)c1[nH+]cccc1CNC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000180936065 539647472 /nfs/dbraw/zinc/64/74/72/539647472.db2.gz RDTKTSAHMLARHZ-UHFFFAOYSA-N 1 2 316.409 2.421 10 0 DEAELO CSC[C@H](C)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000141380916 186030108 /nfs/dbraw/zinc/03/01/08/186030108.db2.gz CQHKAJDJCBFGGD-STQMWFEESA-N 1 2 310.467 2.136 10 0 DEAELO CC(C)Cc1ccc(S(=O)(=O)NCCc2[nH]cc[nH+]2)cc1 ZINC000141479792 186030191 /nfs/dbraw/zinc/03/01/91/186030191.db2.gz VRROOSTUQJGNKQ-UHFFFAOYSA-N 1 2 307.419 2.129 10 0 DEAELO Nc1cc(Br)cc(CN2CCn3cc[nH+]c3C2)c1 ZINC000148047480 186042411 /nfs/dbraw/zinc/04/24/11/186042411.db2.gz VZLQJHMJUVTKIC-UHFFFAOYSA-N 1 2 307.195 2.244 10 0 DEAELO C[C@@H]1CCC[C@H](C)N1Nc1nc(-n2cccn2)nc(Cl)[nH+]1 ZINC000149647088 186052027 /nfs/dbraw/zinc/05/20/27/186052027.db2.gz XYFAOVYJLASBFR-AOOOYVTPSA-N 1 2 307.789 2.301 10 0 DEAELO O=C1NC(=O)c2cc(Nc3cc[nH+]cc3Br)ccc21 ZINC000163993777 186145577 /nfs/dbraw/zinc/14/55/77/186145577.db2.gz QYTMJBOOPOCSNY-UHFFFAOYSA-N 1 2 318.130 2.471 10 0 DEAELO C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000171535949 186171178 /nfs/dbraw/zinc/17/11/78/186171178.db2.gz VCLYVHPSOAPOKD-LBPRGKRZSA-N 1 2 310.825 2.064 10 0 DEAELO C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccccc2Cl)C1 ZINC000171535949 186171180 /nfs/dbraw/zinc/17/11/80/186171180.db2.gz VCLYVHPSOAPOKD-LBPRGKRZSA-N 1 2 310.825 2.064 10 0 DEAELO O=C(c1cnc(-c2ccco2)s1)N1CC[NH+](C2CC2)CC1 ZINC000171534530 186171190 /nfs/dbraw/zinc/17/11/90/186171190.db2.gz TZJGPXMDRDGLOE-UHFFFAOYSA-N 1 2 303.387 2.323 10 0 DEAELO COc1cc[nH+]cc1NC(=O)C(=O)N1CCC(C(C)(C)C)CC1 ZINC000172199853 198056981 /nfs/dbraw/zinc/05/69/81/198056981.db2.gz IDMRDXDHDNSAFS-UHFFFAOYSA-N 1 2 319.405 2.313 10 0 DEAELO Cc1cnn(C[C@@H]2C[N@H+](Cc3sc(C)nc3C)CCO2)c1 ZINC000172793719 198149506 /nfs/dbraw/zinc/14/95/06/198149506.db2.gz ROZXMLUSIWXBLB-AWEZNQCLSA-N 1 2 306.435 2.166 10 0 DEAELO Cc1cnn(C[C@@H]2C[N@@H+](Cc3sc(C)nc3C)CCO2)c1 ZINC000172793719 198149508 /nfs/dbraw/zinc/14/95/08/198149508.db2.gz ROZXMLUSIWXBLB-AWEZNQCLSA-N 1 2 306.435 2.166 10 0 DEAELO CC(C)[NH+]1CCN(C(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000172846094 198157460 /nfs/dbraw/zinc/15/74/60/198157460.db2.gz JFHXSZVONDXXIA-UHFFFAOYSA-N 1 2 316.430 2.371 10 0 DEAELO O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCO[C@H]2CCCC[C@H]21 ZINC000329149482 539914948 /nfs/dbraw/zinc/91/49/48/539914948.db2.gz QRCOWTLFWPXFJB-CVEARBPZSA-N 1 2 312.373 2.051 10 0 DEAELO COC(=O)[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000173653865 198236111 /nfs/dbraw/zinc/23/61/11/198236111.db2.gz OHJQNSKIPTWZSL-WBMJQRKESA-N 1 2 317.364 2.263 10 0 DEAELO COC(=O)[C@H](c1ccccc1F)[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000173653865 198236113 /nfs/dbraw/zinc/23/61/13/198236113.db2.gz OHJQNSKIPTWZSL-WBMJQRKESA-N 1 2 317.364 2.263 10 0 DEAELO O=C1CC[NH+](CCCC2(c3ccc(F)cc3)OCCO2)CC1 ZINC000034465037 354160970 /nfs/dbraw/zinc/16/09/70/354160970.db2.gz RAVDTDUTJJIOFY-UHFFFAOYSA-N 1 2 307.365 2.470 10 0 DEAELO O=C(NCc1cn2c([nH+]1)CCCC2)[C@@H]1CCOc2ccccc21 ZINC000076878264 355172415 /nfs/dbraw/zinc/17/24/15/355172415.db2.gz AEHRWNMTBOHUFD-OAHLLOKOSA-N 1 2 311.385 2.402 10 0 DEAELO Cc1nc(N2C[C@H](O)CC[C@H]2C)c(Br)c(C)[nH+]1 ZINC000399319294 540141063 /nfs/dbraw/zinc/14/10/63/540141063.db2.gz HKDYQPKMQDWIQW-GMSGAONNSA-N 1 2 300.200 2.206 10 0 DEAELO Cc1nc(N2C[C@@H](O)CC[C@H]2C)c(Br)c(C)[nH+]1 ZINC000399319298 540141129 /nfs/dbraw/zinc/14/11/29/540141129.db2.gz HKDYQPKMQDWIQW-XCBNKYQSSA-N 1 2 300.200 2.206 10 0 DEAELO CSCCCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000134507854 355860607 /nfs/dbraw/zinc/86/06/07/355860607.db2.gz LEQXGMUXMSIBDA-UHFFFAOYSA-N 1 2 322.474 2.278 10 0 DEAELO Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCOCC[C@H]1C ZINC000370595969 283128151 /nfs/dbraw/zinc/12/81/51/283128151.db2.gz BLCZESVCEXVZLN-SNVBAGLBSA-N 1 2 323.343 2.260 10 0 DEAELO COc1c(C)c[nH+]c(CN2CCc3c2nc(N)nc3Cl)c1C ZINC000150230369 355921919 /nfs/dbraw/zinc/92/19/19/355921919.db2.gz USFCIFKNGRHUML-UHFFFAOYSA-N 1 2 319.796 2.295 10 0 DEAELO Cc1ncsc1CN1CC(c2noc([C@H]3CCC[N@H+]3C)n2)C1 ZINC000169791488 355985099 /nfs/dbraw/zinc/98/50/99/355985099.db2.gz ZKQMLOHWDPVYNR-GFCCVEGCSA-N 1 2 319.434 2.201 10 0 DEAELO Cc1ncsc1CN1CC(c2noc([C@H]3CCC[N@@H+]3C)n2)C1 ZINC000169791488 355985101 /nfs/dbraw/zinc/98/51/01/355985101.db2.gz ZKQMLOHWDPVYNR-GFCCVEGCSA-N 1 2 319.434 2.201 10 0 DEAELO COC(=O)C[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000079501781 291080342 /nfs/dbraw/zinc/08/03/42/291080342.db2.gz HRCVNWDQQAAJGC-CYBMUJFWSA-N 1 2 312.410 2.023 10 0 DEAELO COC(=O)C[N@@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000079501781 291080345 /nfs/dbraw/zinc/08/03/45/291080345.db2.gz HRCVNWDQQAAJGC-CYBMUJFWSA-N 1 2 312.410 2.023 10 0 DEAELO COc1c(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c(C)nn1C ZINC000181926289 356100839 /nfs/dbraw/zinc/10/08/39/356100839.db2.gz DOLJVPXSIQBRGB-MRXNPFEDSA-N 1 2 315.417 2.181 10 0 DEAELO COc1c(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c(C)nn1C ZINC000181926289 356100843 /nfs/dbraw/zinc/10/08/43/356100843.db2.gz DOLJVPXSIQBRGB-MRXNPFEDSA-N 1 2 315.417 2.181 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cccc(N(C)C)n1 ZINC000181935820 356101619 /nfs/dbraw/zinc/10/16/19/356101619.db2.gz CZHNPBFLAOQISH-UHFFFAOYSA-N 1 2 316.409 2.322 10 0 DEAELO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000183269530 356165001 /nfs/dbraw/zinc/16/50/01/356165001.db2.gz YAXOEDILGKYSOM-PWSUYJOCSA-N 1 2 315.439 2.057 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000185842964 356212158 /nfs/dbraw/zinc/21/21/58/356212158.db2.gz PTMHWCDTXMYHEI-UHFFFAOYSA-N 1 2 324.388 2.254 10 0 DEAELO CC(C)[N@@H+]1CCO[C@@H](CSc2nc3ccc(N)cc3[nH]2)C1 ZINC000080747907 192187658 /nfs/dbraw/zinc/18/76/58/192187658.db2.gz GODNQQCEDLTPFU-GFCCVEGCSA-N 1 2 306.435 2.346 10 0 DEAELO CC(C)[N@H+]1CCO[C@@H](CSc2nc3ccc(N)cc3[nH]2)C1 ZINC000080747907 192187659 /nfs/dbraw/zinc/18/76/59/192187659.db2.gz GODNQQCEDLTPFU-GFCCVEGCSA-N 1 2 306.435 2.346 10 0 DEAELO Cc1ccc(CCC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000080944629 192204347 /nfs/dbraw/zinc/20/43/47/192204347.db2.gz FGEWGTAKTJLGCW-SFHVURJKSA-N 1 2 316.445 2.251 10 0 DEAELO CCN1CCN(C(=O)c2cc(C)oc2C)C[C@H]1c1[nH+]ccn1C ZINC000328616386 356460835 /nfs/dbraw/zinc/46/08/35/356460835.db2.gz BNZXHUYSTXVAJA-HNNXBMFYSA-N 1 2 316.405 2.149 10 0 DEAELO CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328619341 356461350 /nfs/dbraw/zinc/46/13/50/356461350.db2.gz FTIIZEYVVIFBHA-XHSDSOJGSA-N 1 2 310.401 2.029 10 0 DEAELO CN(C[C@@H]1CCCCO1)c1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000328622354 356461939 /nfs/dbraw/zinc/46/19/39/356461939.db2.gz BEZDMTGNPZVQAH-KGLIPLIRSA-N 1 2 306.410 2.073 10 0 DEAELO CN(C[C@@H]1CCCCO1)c1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000328622354 356461943 /nfs/dbraw/zinc/46/19/43/356461943.db2.gz BEZDMTGNPZVQAH-KGLIPLIRSA-N 1 2 306.410 2.073 10 0 DEAELO Cc1n[nH]cc1CCCNc1cc(N[C@@H]2CCCOC2)nc[nH+]1 ZINC000328635558 356465182 /nfs/dbraw/zinc/46/51/82/356465182.db2.gz NKJAWPBOIABSLN-CQSZACIVSA-N 1 2 316.409 2.144 10 0 DEAELO Cc1n[nH]cc1CCCNc1cc(N[C@@H]2CCCOC2)[nH+]cn1 ZINC000328635558 356465184 /nfs/dbraw/zinc/46/51/84/356465184.db2.gz NKJAWPBOIABSLN-CQSZACIVSA-N 1 2 316.409 2.144 10 0 DEAELO O=C(N[C@H]1CCn2cc[nH+]c2C1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000332899381 356470799 /nfs/dbraw/zinc/47/07/99/356470799.db2.gz OESGVZVPFPBQAW-DZGCQCFKSA-N 1 2 300.406 2.172 10 0 DEAELO CCOc1cc(C[NH2+]Cc2cn(C)nn2)ccc1OC(F)F ZINC000389831966 356708294 /nfs/dbraw/zinc/70/82/94/356708294.db2.gz IBEVHNPGELNLPK-UHFFFAOYSA-N 1 2 312.320 2.105 10 0 DEAELO CC[C@@]1(CO)CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000187266499 200085824 /nfs/dbraw/zinc/08/58/24/200085824.db2.gz JSLBNXRDKBBHJC-QGZVFWFLSA-N 1 2 322.453 2.233 10 0 DEAELO CC(C)[C@@H]1C[C@H]1C(=O)N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000187728989 200149875 /nfs/dbraw/zinc/14/98/75/200149875.db2.gz PFNSHYGYNBIUOI-DLBZAZTESA-N 1 2 302.418 2.329 10 0 DEAELO 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CCOC(=O)[C@@]1([NH2+]C)CCC[C@@H](Sc2cc(C)nn2C)C1 ZINC000093779195 193306344 /nfs/dbraw/zinc/30/63/44/193306344.db2.gz CIDQFDPMAKCMIC-IUODEOHRSA-N 1 2 311.451 2.285 10 0 DEAELO CCOC(=O)[C@]1([NH2+]C)CCC[C@@H](Sc2ncc(C)cn2)C1 ZINC000093778938 193306760 /nfs/dbraw/zinc/30/67/60/193306760.db2.gz PIHGVNUQBKALDE-DOMZBBRYSA-N 1 2 309.435 2.341 10 0 DEAELO CCOC(=O)[C@@]1([NH2+]C)CC[C@@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093826337 193313023 /nfs/dbraw/zinc/31/30/23/193313023.db2.gz BAAOVKFJXSQXLI-DGCLKSJQSA-N 1 2 308.344 2.087 10 0 DEAELO CCOC(=O)[C@]1([NH2+]C)CC[C@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093826334 193313245 /nfs/dbraw/zinc/31/32/45/193313245.db2.gz BAAOVKFJXSQXLI-AAEUAGOBSA-N 1 2 308.344 2.087 10 0 DEAELO CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](Sc2nnc(C)o2)C1 ZINC000093852203 193318465 /nfs/dbraw/zinc/31/84/65/193318465.db2.gz YJTRVBCCNODAMG-RISCZKNCSA-N 1 2 313.423 2.323 10 0 DEAELO CCOC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](Sc2cnn(C)c2)C1 ZINC000093852028 193318573 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CC(C)Oc1cccnc1C(=O)N(C)CCCn1cc[nH+]c1 ZINC000154896883 291596161 /nfs/dbraw/zinc/59/61/61/291596161.db2.gz PVLMRNXCVMAGBR-UHFFFAOYSA-N 1 2 302.378 2.228 10 0 DEAELO Cc1cccc(C(=O)N2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000038645247 183005702 /nfs/dbraw/zinc/00/57/02/183005702.db2.gz ZSKZMFAXLLBWPH-UHFFFAOYSA-N 1 2 309.413 2.391 10 0 DEAELO C[C@@H](C(=O)Nc1cc(Cl)ccc1N)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000040162703 183042215 /nfs/dbraw/zinc/04/22/15/183042215.db2.gz AJGJQUGAKYAWRV-DCAQKATOSA-N 1 2 311.813 2.358 10 0 DEAELO C[C@@H](C(=O)Nc1ccc(Cl)cc1N)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000040162719 183042417 /nfs/dbraw/zinc/04/24/17/183042417.db2.gz GKCQAKHSFLWUHC-DCAQKATOSA-N 1 2 311.813 2.358 10 0 DEAELO Cn1cc[nH+]c1[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1Cl ZINC000041568117 183204719 /nfs/dbraw/zinc/20/47/19/183204719.db2.gz UUPBQCXBKIZLPM-KGLIPLIRSA-N 1 2 319.792 2.458 10 0 DEAELO CCC[NH2+][C@@H]1c2ccc(Sc3n[nH]c(C)n3)cc2NC1=O ZINC000041632904 183212518 /nfs/dbraw/zinc/21/25/18/183212518.db2.gz ONYXWKWIODARPC-GFCCVEGCSA-N 1 2 303.391 2.257 10 0 DEAELO CCC[NH2+][C@@H]1c2ccc(Sc3nnc(C)[nH]3)cc2NC1=O ZINC000041632904 183212519 /nfs/dbraw/zinc/21/25/19/183212519.db2.gz ONYXWKWIODARPC-GFCCVEGCSA-N 1 2 303.391 2.257 10 0 DEAELO CCC[NH2+][C@@H]1c2ccc(Sc3nc(C)n[nH]3)cc2NC1=O ZINC000041632904 183212520 /nfs/dbraw/zinc/21/25/20/183212520.db2.gz ONYXWKWIODARPC-GFCCVEGCSA-N 1 2 303.391 2.257 10 0 DEAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2CC2CCCCC2)C1 ZINC000104798669 194042004 /nfs/dbraw/zinc/04/20/04/194042004.db2.gz ULVRXDPXKNIWEM-IAGOWNOFSA-N 1 2 323.481 2.461 10 0 DEAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]2CC2CCCCC2)C1 ZINC000104798669 194042007 /nfs/dbraw/zinc/04/20/07/194042007.db2.gz ULVRXDPXKNIWEM-IAGOWNOFSA-N 1 2 323.481 2.461 10 0 DEAELO CC(C)c1ccc(C(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(O)c1 ZINC000284649927 218114254 /nfs/dbraw/zinc/11/42/54/218114254.db2.gz GCNXPOJDWOOZKK-NVXWUHKLSA-N 1 2 318.417 2.061 10 0 DEAELO CC(C)c1ccc(C(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC000284649927 218114257 /nfs/dbraw/zinc/11/42/57/218114257.db2.gz GCNXPOJDWOOZKK-NVXWUHKLSA-N 1 2 318.417 2.061 10 0 DEAELO Cc1cc(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)[nH]n1 ZINC000284664742 218124074 /nfs/dbraw/zinc/12/40/74/218124074.db2.gz QMBMCLKPRWSOIP-HNNXBMFYSA-N 1 2 313.405 2.308 10 0 DEAELO Cc1cc(C(=O)N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)n[nH]1 ZINC000284664742 218124076 /nfs/dbraw/zinc/12/40/76/218124076.db2.gz QMBMCLKPRWSOIP-HNNXBMFYSA-N 1 2 313.405 2.308 10 0 DEAELO O=C(Cc1ccsc1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046616930 183565555 /nfs/dbraw/zinc/56/55/55/183565555.db2.gz SBYKPWPCUABCIE-UHFFFAOYSA-N 1 2 301.415 2.471 10 0 DEAELO CC[C@H]1c2ccsc2CCN1C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105281842 194092484 /nfs/dbraw/zinc/09/24/84/194092484.db2.gz XYYMJPAEQAPBJF-JSGCOSHPSA-N 1 2 323.462 2.098 10 0 DEAELO CC[C@H]1c2ccsc2CCN1C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105281842 194092487 /nfs/dbraw/zinc/09/24/87/194092487.db2.gz XYYMJPAEQAPBJF-JSGCOSHPSA-N 1 2 323.462 2.098 10 0 DEAELO CC[C@@H](C)Oc1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000105283608 194092920 /nfs/dbraw/zinc/09/29/20/194092920.db2.gz JTUOAKSFBNFKMY-CJNGLKHVSA-N 1 2 321.421 2.316 10 0 DEAELO CC[C@@H](C)Oc1ccc(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000105283608 194092924 /nfs/dbraw/zinc/09/29/24/194092924.db2.gz JTUOAKSFBNFKMY-CJNGLKHVSA-N 1 2 321.421 2.316 10 0 DEAELO CC(C)c1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1nc(C3CC3)no1)CC2 ZINC000105874313 194152690 /nfs/dbraw/zinc/15/26/90/194152690.db2.gz NDJOITSZKUXDDL-JQWIXIFHSA-N 1 2 316.409 2.328 10 0 DEAELO CC(C)C[C@H](C)S(=O)(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000159329742 197345773 /nfs/dbraw/zinc/34/57/73/197345773.db2.gz NSKATZVQPBXKAN-UONOGXRCSA-N 1 2 311.451 2.014 10 0 DEAELO C[C@H]1CCC[C@](O)(CNc2nc(N)[nH+]cc2Br)C1 ZINC000156437774 197113410 /nfs/dbraw/zinc/11/34/10/197113410.db2.gz DIAARVZZONJHKM-QPUJVOFHSA-N 1 2 315.215 2.174 10 0 DEAELO FC(F)(F)CN(c1nc(Cl)nc(-n2cc[nH+]c2)n1)C1CC1 ZINC000061540464 184173706 /nfs/dbraw/zinc/17/37/06/184173706.db2.gz 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O=S(=O)(c1ccccc1)N1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000616608824 362897853 /nfs/dbraw/zinc/89/78/53/362897853.db2.gz DJCKXQINOVPBSX-CQSZACIVSA-N 1 2 317.414 2.347 10 0 DEAELO CCCc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)n[nH]1 ZINC000177153620 539629215 /nfs/dbraw/zinc/62/92/15/539629215.db2.gz ODYQYUGWSHDXCZ-CQSZACIVSA-N 1 2 301.394 2.172 10 0 DEAELO O=c1ccccn1Cc1ccc(C[NH2+]Cc2csnn2)cc1 ZINC000180604560 539646271 /nfs/dbraw/zinc/64/62/71/539646271.db2.gz YIUALHXMPHYBBG-UHFFFAOYSA-N 1 2 312.398 2.038 10 0 DEAELO O=C(NC1CC1)[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000182932056 539658704 /nfs/dbraw/zinc/65/87/04/539658704.db2.gz VJSSUGFFRMOEDU-ZWKOTPCHSA-N 1 2 310.397 2.330 10 0 DEAELO O=C(NC1CC1)[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000182932018 539658736 /nfs/dbraw/zinc/65/87/36/539658736.db2.gz VJSSUGFFRMOEDU-ROUUACIJSA-N 1 2 310.397 2.330 10 0 DEAELO CCn1cc[nH+]c1CSCc1cc(=O)n2ccsc2n1 ZINC000083631673 192376474 /nfs/dbraw/zinc/37/64/74/192376474.db2.gz SPUQDERNJKJDHL-UHFFFAOYSA-N 1 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C[C@@H]([NH2+]Cc1cnc2cnc(Br)cn12)c1ncc[nH]1 ZINC000139020858 186019588 /nfs/dbraw/zinc/01/95/88/186019588.db2.gz PUIMSAGTZIBOGU-MRVPVSSYSA-N 1 2 321.182 2.066 10 0 DEAELO C[C@@H](Nc1nc2c(Br)cccn2n1)c1[nH]cc[nH+]1 ZINC000139874650 186024539 /nfs/dbraw/zinc/02/45/39/186024539.db2.gz QBYKROHGTISTCA-SSDOTTSWSA-N 1 2 307.155 2.388 10 0 DEAELO CC[C@H](NC(=O)c1c(C)nc(C)nc1SC)c1[nH]cc[nH+]1 ZINC000140639922 186027335 /nfs/dbraw/zinc/02/73/35/186027335.db2.gz HNBIXWIAMYHIOE-JTQLQIEISA-N 1 2 305.407 2.420 10 0 DEAELO CC[C@H](NS(=O)(=O)c1cc(F)ccc1F)c1[nH]cc[nH+]1 ZINC000141364005 186029960 /nfs/dbraw/zinc/02/99/60/186029960.db2.gz YLTSIWPQWCPZGZ-JTQLQIEISA-N 1 2 301.318 2.118 10 0 DEAELO Cc1ccc(Oc2nc(N)nc(-n3cc[nH+]c3)n2)c(Cl)c1 ZINC000148378436 186044565 /nfs/dbraw/zinc/04/45/65/186044565.db2.gz XUWCCICIAPSJKZ-UHFFFAOYSA-N 1 2 302.725 2.394 10 0 DEAELO O=C(C[NH2+]Cc1ccon1)Nc1cccc(Br)c1 ZINC000148820314 186046043 /nfs/dbraw/zinc/04/60/43/186046043.db2.gz SAZTVBVEHFOJAE-UHFFFAOYSA-N 1 2 310.151 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C[C@@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173810356 198255180 /nfs/dbraw/zinc/25/51/80/198255180.db2.gz QELBLIDGEAKBPQ-IUODEOHRSA-N 1 2 324.371 2.417 10 0 DEAELO O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCOCC1 ZINC000046345098 354280566 /nfs/dbraw/zinc/28/05/66/354280566.db2.gz OAIKXGGASFUWQY-JTQLQIEISA-N 1 2 306.189 2.065 10 0 DEAELO C[C@H]([NH2+]Cc1cn(C)nn1)c1sccc1Br ZINC000381447630 540123079 /nfs/dbraw/zinc/12/30/79/540123079.db2.gz GAELOSOAXQLYLE-ZETCQYMHSA-N 1 2 301.213 2.490 10 0 DEAELO COc1ccc2nc(C(=O)NCCCn3cc[nH+]c3)ccc2c1 ZINC000073696791 191342382 /nfs/dbraw/zinc/34/23/82/191342382.db2.gz PMDVLDVBLCRPRW-UHFFFAOYSA-N 1 2 310.357 2.260 10 0 DEAELO C[NH+](C)[C@H](C(=O)N1CCN(c2ccccc2)CC1)c1cccnc1 ZINC000074919862 191387253 /nfs/dbraw/zinc/38/72/53/191387253.db2.gz VEYVHHXRYNVJNO-SFHVURJKSA-N 1 2 324.428 2.033 10 0 DEAELO CCc1cc(N2C[C@@H](F)C[C@@H]2CO)nc(-c2ccncc2)[nH+]1 ZINC000363746413 283095270 /nfs/dbraw/zinc/09/52/70/283095270.db2.gz RLAWFXCCGNOBGU-GXTWGEPZSA-N 1 2 302.353 2.010 10 0 DEAELO CNC(=O)c1cccnc1NCCCc1[nH]c2ccccc2[nH+]1 ZINC000080970304 355396576 /nfs/dbraw/zinc/39/65/76/355396576.db2.gz WDYTUUUVYZQTKJ-UHFFFAOYSA-N 1 2 309.373 2.362 10 0 DEAELO c1cnn(C[C@@H]2C[N@H+](Cc3cc(-c4ccccc4)n[nH]3)CCO2)c1 ZINC000122336276 355799937 /nfs/dbraw/zinc/79/99/37/355799937.db2.gz PYNVRSMKOWYLHK-KRWDZBQOSA-N 1 2 323.400 2.174 10 0 DEAELO c1cnn(C[C@@H]2C[N@@H+](Cc3cc(-c4ccccc4)n[nH]3)CCO2)c1 ZINC000122336276 355799940 /nfs/dbraw/zinc/79/99/40/355799940.db2.gz PYNVRSMKOWYLHK-KRWDZBQOSA-N 1 2 323.400 2.174 10 0 DEAELO CO[C@@H](C)c1cccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000171178209 355998686 /nfs/dbraw/zinc/99/86/86/355998686.db2.gz VFYDWNRIIFKHOL-KGLIPLIRSA-N 1 2 321.421 2.236 10 0 DEAELO CNc1[nH+]cnc2c1cnn2Cc1csc([C@H](C)OC)n1 ZINC000181837187 356098558 /nfs/dbraw/zinc/09/85/58/356098558.db2.gz TXNIHDKBNKGYRE-QMMMGPOBSA-N 1 2 304.379 2.080 10 0 DEAELO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)c1nccs1 ZINC000080266128 192019184 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C[NH2+][C@@H](C)c1csc(NS(=O)(=O)C2CCCCC2)n1 ZINC000080868388 192196417 /nfs/dbraw/zinc/19/64/17/192196417.db2.gz VKKKUNGOJZLPSA-VIFPVBQESA-N 1 2 303.453 2.498 10 0 DEAELO C[C@H]([NH3+])c1csc(NS(=O)(=O)c2ccc(F)cc2F)n1 ZINC000080870146 192197594 /nfs/dbraw/zinc/19/75/94/192197594.db2.gz SRCRPYHHZMDGLB-LURJTMIESA-N 1 2 319.358 2.242 10 0 DEAELO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCO[C@H](c3nncn3C)C2)o1 ZINC000328634607 356464650 /nfs/dbraw/zinc/46/46/50/356464650.db2.gz MTWBTBQJIMTGQG-ZLDLUXBVSA-N 1 2 302.378 2.105 10 0 DEAELO C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCO[C@H](c3nncn3C)C2)o1 ZINC000328634607 356464653 /nfs/dbraw/zinc/46/46/53/356464653.db2.gz MTWBTBQJIMTGQG-ZLDLUXBVSA-N 1 2 302.378 2.105 10 0 DEAELO Cc1[nH+]c2ccc(C(=O)NCCOCC3CCC3)cc2n1C ZINC000578819029 356875210 /nfs/dbraw/zinc/87/52/10/356875210.db2.gz LUCZMPUTBCEYTE-UHFFFAOYSA-N 1 2 301.390 2.428 10 0 DEAELO O=C(NCc1cn2cc(Cl)ccc2[nH+]1)NCC1(O)CCCC1 ZINC000591552072 357735982 /nfs/dbraw/zinc/73/59/82/357735982.db2.gz SETJRXSRZBSUBK-UHFFFAOYSA-N 1 2 322.796 2.092 10 0 DEAELO CCCN(Cc1noc(C[NH3+])n1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000261621922 283301630 /nfs/dbraw/zinc/30/16/30/283301630.db2.gz DCYHAGILTKAOTF-KGLIPLIRSA-N 1 2 322.453 2.478 10 0 DEAELO Cc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)ccc1F ZINC000276685166 213046263 /nfs/dbraw/zinc/04/62/63/213046263.db2.gz ZWZHSYNRBYBGJN-INIZCTEOSA-N 1 2 320.408 2.317 10 0 DEAELO Cc1cc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)ccc1F ZINC000276685166 213046266 /nfs/dbraw/zinc/04/62/66/213046266.db2.gz ZWZHSYNRBYBGJN-INIZCTEOSA-N 1 2 320.408 2.317 10 0 DEAELO C[C@@H]1OCCC[C@@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000276635220 213014524 /nfs/dbraw/zinc/01/45/24/213014524.db2.gz YDAJILHFAFISLX-YOEHRIQHSA-N 1 2 313.401 2.363 10 0 DEAELO Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1S(C)(=O)=O ZINC000089200783 192741685 /nfs/dbraw/zinc/74/16/85/192741685.db2.gz XCPKLHRUUTZUMF-UHFFFAOYSA-N 1 2 324.446 2.069 10 0 DEAELO CO[C@H]1CN(C(=O)Cn2c(C)[nH+]c3ccccc32)CC[C@@H]1C ZINC000187725107 200149149 /nfs/dbraw/zinc/14/91/49/200149149.db2.gz LMHSBMAOWLLAEG-LRDDRELGSA-N 1 2 301.390 2.228 10 0 DEAELO O=C(c1n[nH]c2c1C[NH2+]CC2)N1CCC[C@H]1c1cccs1 ZINC000188251135 200216583 /nfs/dbraw/zinc/21/65/83/200216583.db2.gz MXBCUJPOGIHEMU-LBPRGKRZSA-N 1 2 302.403 2.094 10 0 DEAELO C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)CCc1c[nH+]cn1C ZINC000188876949 200315450 /nfs/dbraw/zinc/31/54/50/200315450.db2.gz QXASWEFRMXSTSA-PBHICJAKSA-N 1 2 313.401 2.341 10 0 DEAELO C[C@H]1CN(C(=O)c2csc(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000189347313 200386160 /nfs/dbraw/zinc/38/61/60/200386160.db2.gz PPVOTHDJGPDQDP-CMPLNLGQSA-N 1 2 314.838 2.194 10 0 DEAELO CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000619203470 363733910 /nfs/dbraw/zinc/73/39/10/363733910.db2.gz RKAAEDURVRETRS-QWRGUYRKSA-N 1 2 304.350 2.044 10 0 DEAELO c1coc(C[N@H+](Cc2nnc3n2CCOC3)C2CCCC2)c1 ZINC000281257160 216192203 /nfs/dbraw/zinc/19/22/03/216192203.db2.gz KCOHSHZJZUMUGT-UHFFFAOYSA-N 1 2 302.378 2.346 10 0 DEAELO c1coc(C[N@@H+](Cc2nnc3n2CCOC3)C2CCCC2)c1 ZINC000281257160 216192205 /nfs/dbraw/zinc/19/22/05/216192205.db2.gz KCOHSHZJZUMUGT-UHFFFAOYSA-N 1 2 302.378 2.346 10 0 DEAELO c1nc(-c2ccncc2)sc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000443066831 238102246 /nfs/dbraw/zinc/10/22/46/238102246.db2.gz IDWRZPRVJWVHCB-INIZCTEOSA-N 1 2 317.414 2.196 10 0 DEAELO c1nc(-c2ccncc2)sc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000443066831 238102252 /nfs/dbraw/zinc/10/22/52/238102252.db2.gz IDWRZPRVJWVHCB-INIZCTEOSA-N 1 2 317.414 2.196 10 0 DEAELO O=C(CN1C(=O)CCc2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000603882729 360868613 /nfs/dbraw/zinc/86/86/13/360868613.db2.gz WJQFQXSTYNIMPP-UHFFFAOYSA-N 1 2 320.352 2.252 10 0 DEAELO O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000603883308 360868636 /nfs/dbraw/zinc/86/86/36/360868636.db2.gz CUBVSBDHMBTQEL-ZDUSSCGKSA-N 1 2 306.325 2.399 10 0 DEAELO Cc1c(C(=O)Nc2ccc3[nH+]ccn3c2)cnn1-c1ccccn1 ZINC000603785226 360858023 /nfs/dbraw/zinc/85/80/23/360858023.db2.gz GJKXQIVFXGAGMA-UHFFFAOYSA-N 1 2 318.340 2.476 10 0 DEAELO c1nc2c(ncnc2NCCCNc2cccc[nH+]2)n1C1CC1 ZINC000292484995 223114582 /nfs/dbraw/zinc/11/45/82/223114582.db2.gz RASSVMOTDYZHGT-UHFFFAOYSA-N 1 2 309.377 2.470 10 0 DEAELO CC1(C)[C@H](NC(=O)Nc2ccc3[nH+]ccn3c2)[C@H]2CCO[C@H]21 ZINC000607400194 361088094 /nfs/dbraw/zinc/08/80/94/361088094.db2.gz SNQXVDSZUULRCZ-MRVWCRGKSA-N 1 2 300.362 2.269 10 0 DEAELO COc1ccc([C@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1OC ZINC000192781135 200941294 /nfs/dbraw/zinc/94/12/94/200941294.db2.gz XCVGZVUEBJONQU-JTQLQIEISA-N 1 2 306.366 2.004 10 0 DEAELO CCc1nnc([C@@H]2C[N@H+](Cc3ccc(C)c(OC)c3)CCO2)[nH]1 ZINC000193584575 201080792 /nfs/dbraw/zinc/08/07/92/201080792.db2.gz JGDXCWFSTLJIKN-HNNXBMFYSA-N 1 2 316.405 2.258 10 0 DEAELO CCc1nnc([C@@H]2C[N@@H+](Cc3ccc(C)c(OC)c3)CCO2)[nH]1 ZINC000193584575 201080796 /nfs/dbraw/zinc/08/07/96/201080796.db2.gz JGDXCWFSTLJIKN-HNNXBMFYSA-N 1 2 316.405 2.258 10 0 DEAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000610427466 361398233 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CN1CC[N@H+](Cc2ccccc2)[C@H](CNC(=O)c2ccccc2)C1 ZINC000620724738 364136838 /nfs/dbraw/zinc/13/68/38/364136838.db2.gz SSSVWJQQVYGNLY-LJQANCHMSA-N 1 2 323.440 2.233 10 0 DEAELO CN1CC[N@@H+](Cc2ccccc2)[C@H](CNC(=O)c2ccccc2)C1 ZINC000620724738 364136840 /nfs/dbraw/zinc/13/68/40/364136840.db2.gz SSSVWJQQVYGNLY-LJQANCHMSA-N 1 2 323.440 2.233 10 0 DEAELO C[C@@H](NC(=O)NC1CCC(C)(C)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000174761213 296075801 /nfs/dbraw/zinc/07/58/01/296075801.db2.gz TXOFYLOYHNETRL-ZIAGYGMSSA-N 1 2 311.470 2.364 10 0 DEAELO C[C@@H]1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)[C@H]1CO ZINC000624146987 365307485 /nfs/dbraw/zinc/30/74/85/365307485.db2.gz PRAOJMHGCAPKQW-CJNGLKHVSA-N 1 2 310.401 2.204 10 0 DEAELO CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000624287999 365368499 /nfs/dbraw/zinc/36/84/99/365368499.db2.gz CBTJGRYWIRLBBT-RWMBFGLXSA-N 1 2 305.422 2.037 10 0 DEAELO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCS2)CCO1 ZINC000275311977 212264597 /nfs/dbraw/zinc/26/45/97/212264597.db2.gz BBPZYHQZDSBIGD-XBFCOCLRSA-N 1 2 309.435 2.042 10 0 DEAELO c1nc(N2CCC[C@]3(CCOC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000450883794 242345577 /nfs/dbraw/zinc/34/55/77/242345577.db2.gz QONWKZHWUSJKEJ-KRWDZBQOSA-N 1 2 302.422 2.474 10 0 DEAELO c1nc(N2CCCCC2)cc(N2CCC[C@]3(CCOC3)C2)[nH+]1 ZINC000450883794 242345586 /nfs/dbraw/zinc/34/55/86/242345586.db2.gz QONWKZHWUSJKEJ-KRWDZBQOSA-N 1 2 302.422 2.474 10 0 DEAELO c1c(C[NH2+][C@@H]2CSc3ccccc32)nnn1C[C@H]1CCOC1 ZINC000631074375 368002549 /nfs/dbraw/zinc/00/25/49/368002549.db2.gz BCJMVGMTRQKREY-IUODEOHRSA-N 1 2 316.430 2.251 10 0 DEAELO c1oc2ccccc2c1C[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631072275 368001463 /nfs/dbraw/zinc/00/14/63/368001463.db2.gz QQFXVDBRLHANEG-CYBMUJFWSA-N 1 2 312.373 2.351 10 0 DEAELO C[NH2+][C@@]1(C(=O)OC)CCC[C@@H](N(CC(F)(F)F)C2CC2)C1 ZINC000093751330 193299703 /nfs/dbraw/zinc/29/97/03/193299703.db2.gz HFQSZLZZZFAZHY-YPMHNXCESA-N 1 2 308.344 2.087 10 0 DEAELO COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@@H](Sc2n[nH]c(C)n2)C1 ZINC000093778776 193305586 /nfs/dbraw/zinc/30/55/86/193305586.db2.gz JFRMXBGTWPVXJL-BXUZGUMPSA-N 1 2 312.439 2.058 10 0 DEAELO COC(=O)[C@@]1([NH2+]C(C)C)CCC[C@@H](Sc2nnc(C)[nH]2)C1 ZINC000093778776 193305588 /nfs/dbraw/zinc/30/55/88/193305588.db2.gz JFRMXBGTWPVXJL-BXUZGUMPSA-N 1 2 312.439 2.058 10 0 DEAELO CC[NH2+][C@]1(C(=O)OC)CCC[C@H](Sc2nnc(C)s2)C1 ZINC000093778376 193305657 /nfs/dbraw/zinc/30/56/57/193305657.db2.gz CYTCNSZBDAZDRM-GXFFZTMASA-N 1 2 315.464 2.403 10 0 DEAELO CCOC(=O)[C@]1([NH2+]C2CC2)CCC[C@H](SC[C@@H](C)CO)C1 ZINC000093780608 193307933 /nfs/dbraw/zinc/30/79/33/193307933.db2.gz VILYUKYQSCEZBJ-NOLJZWGESA-N 1 2 315.479 2.345 10 0 DEAELO CC[NH2+][C@@]1(C(=O)OCC)CC[C@H](Sc2ncc(C)cn2)C1 ZINC000093852086 193319204 /nfs/dbraw/zinc/31/92/04/193319204.db2.gz NBRSJMHQSZLTMG-WFASDCNBSA-N 1 2 309.435 2.341 10 0 DEAELO CC[N@@H+]1CCO[C@H](C(=O)Cc2sccc2Br)C1 ZINC000093897838 193324541 /nfs/dbraw/zinc/32/45/41/193324541.db2.gz 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231297361 /nfs/dbraw/zinc/29/73/61/231297361.db2.gz ZNUGCXADGPPCNL-OIISXLGYSA-N 1 2 317.433 2.150 10 0 DEAELO O=C1c2ccc(Br)cc2C(=O)N1CCc1c[nH+]c[nH]1 ZINC000087545685 185227917 /nfs/dbraw/zinc/22/79/17/185227917.db2.gz LKUHPZUPVZVCME-UHFFFAOYSA-N 1 2 320.146 2.011 10 0 DEAELO O=C1c2ccc(Br)cc2C(=O)N1CCc1c[nH]c[nH+]1 ZINC000087545685 185227918 /nfs/dbraw/zinc/22/79/18/185227918.db2.gz LKUHPZUPVZVCME-UHFFFAOYSA-N 1 2 320.146 2.011 10 0 DEAELO Cc1cc(Cl)c(NC(=O)[C@H]2COCC[NH2+]2)c2cccnc12 ZINC000088358284 185246856 /nfs/dbraw/zinc/24/68/56/185246856.db2.gz HPTMWFLCVZGPTN-GFCCVEGCSA-N 1 2 305.765 2.124 10 0 DEAELO Cn1ncc2c1nc(C[N@H+](C)CCC(F)(F)F)nc2Cl ZINC000088420015 185249388 /nfs/dbraw/zinc/24/93/88/185249388.db2.gz IWCUWHWUDCCONX-UHFFFAOYSA-N 1 2 307.707 2.401 10 0 DEAELO Cn1ncc2c1nc(C[N@@H+](C)CCC(F)(F)F)nc2Cl ZINC000088420015 185249389 /nfs/dbraw/zinc/24/93/89/185249389.db2.gz IWCUWHWUDCCONX-UHFFFAOYSA-N 1 2 307.707 2.401 10 0 DEAELO O=S1(=O)C=C[C@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000088854876 185267230 /nfs/dbraw/zinc/26/72/30/185267230.db2.gz UWJZOWMHPMZLKN-LBPRGKRZSA-N 1 2 306.412 2.210 10 0 DEAELO O=C(c1cnccn1)N1CC[N@@H+](C2CC2)C[C@@H]1c1ccccc1 ZINC000090688443 185309481 /nfs/dbraw/zinc/30/94/81/185309481.db2.gz XLCOZLKQIWOACN-QGZVFWFLSA-N 1 2 308.385 2.138 10 0 DEAELO O=C(c1cnccn1)N1CC[N@H+](C2CC2)C[C@@H]1c1ccccc1 ZINC000090688443 185309482 /nfs/dbraw/zinc/30/94/82/185309482.db2.gz XLCOZLKQIWOACN-QGZVFWFLSA-N 1 2 308.385 2.138 10 0 DEAELO CCNc1cccc(C[NH+]2CCN(c3nccs3)CC2)n1 ZINC000092368078 185314275 /nfs/dbraw/zinc/31/42/75/185314275.db2.gz RILFFBVVYKTUET-UHFFFAOYSA-N 1 2 303.435 2.292 10 0 DEAELO CCNc1cccc(CN2CCN(c3nccs3)CC2)[nH+]1 ZINC000092368078 185314276 /nfs/dbraw/zinc/31/42/76/185314276.db2.gz RILFFBVVYKTUET-UHFFFAOYSA-N 1 2 303.435 2.292 10 0 DEAELO C[C@H](NC(=O)[C@@H]1Cc2nc[nH]c2C[NH2+]1)c1ccc(Cl)s1 ZINC000092780225 185340432 /nfs/dbraw/zinc/34/04/32/185340432.db2.gz VFHUPXJDKGTKJJ-CBAPKCEASA-N 1 2 310.810 2.016 10 0 DEAELO O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1Cc2nc[nH]c2C[NH2+]1 ZINC000092779488 185340565 /nfs/dbraw/zinc/34/05/65/185340565.db2.gz DRDLSKQWEKSVEZ-LLVKDONJSA-N 1 2 311.172 2.370 10 0 DEAELO CN1C(=O)C[C@H]([NH2+]Cc2ccn[nH]2)[C@H]1c1ccc(Cl)cc1 ZINC000092849248 185346144 /nfs/dbraw/zinc/34/61/44/185346144.db2.gz YURQZJYXFPJKCU-DZGCQCFKSA-N 1 2 304.781 2.125 10 0 DEAELO COc1cc(C[N@@H+]2CCCNC(=O)[C@H]2C)cc(Cl)c1OC ZINC000189086999 282307303 /nfs/dbraw/zinc/30/73/03/282307303.db2.gz MYTDNVIHSQTBIF-SNVBAGLBSA-N 1 2 312.797 2.068 10 0 DEAELO COc1cc(C[N@H+]2CCCNC(=O)[C@H]2C)cc(Cl)c1OC ZINC000189086999 282307307 /nfs/dbraw/zinc/30/73/07/282307307.db2.gz MYTDNVIHSQTBIF-SNVBAGLBSA-N 1 2 312.797 2.068 10 0 DEAELO CCOC[C@@H]1CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000113939369 539441685 /nfs/dbraw/zinc/44/16/85/539441685.db2.gz OUULIKIECZBUPU-CYBMUJFWSA-N 1 2 309.410 2.212 10 0 DEAELO CCOC[C@@H]1CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000113939369 539441688 /nfs/dbraw/zinc/44/16/88/539441688.db2.gz 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CC(C)(C)OC(=O)NCC[N@H+]1CCOC[C@@H]1c1ccc(N)cc1 ZINC000616640447 362903500 /nfs/dbraw/zinc/90/35/00/362903500.db2.gz ZEMIRVHYSMXGNZ-OAHLLOKOSA-N 1 2 321.421 2.167 10 0 DEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCO[C@@H](c2ccc(N)cc2)C1 ZINC000616647052 362903670 /nfs/dbraw/zinc/90/36/70/362903670.db2.gz RVZUSHVCUFHLFX-OAHLLOKOSA-N 1 2 321.421 2.167 10 0 DEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCO[C@@H](c2ccc(N)cc2)C1 ZINC000616647052 362903676 /nfs/dbraw/zinc/90/36/76/362903676.db2.gz RVZUSHVCUFHLFX-OAHLLOKOSA-N 1 2 321.421 2.167 10 0 DEAELO C[C@H]1OCCC[C@H]1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000188324720 539682085 /nfs/dbraw/zinc/68/20/85/539682085.db2.gz AQHNFCIPFUYSJP-RHSMWYFYSA-N 1 2 313.401 2.363 10 0 DEAELO COc1ccc(OC)c([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC000188886266 539684859 /nfs/dbraw/zinc/68/48/59/539684859.db2.gz BFSJQVYKNLSTSF-NSHDSACASA-N 1 2 303.362 2.237 10 0 DEAELO COc1ccc(OC)c([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC000188886266 539684862 /nfs/dbraw/zinc/68/48/62/539684862.db2.gz 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ZINC000220578087 539727857 /nfs/dbraw/zinc/72/78/57/539727857.db2.gz SFFAZOFIXDAQQH-HNNXBMFYSA-N 1 2 324.428 2.172 10 0 DEAELO Cc1nc(N)sc1C[NH+]1CCN(C(=O)C2CCCCC2)CC1 ZINC000071675671 191005088 /nfs/dbraw/zinc/00/50/88/191005088.db2.gz GMOVWTCNNQHBHV-UHFFFAOYSA-N 1 2 322.478 2.258 10 0 DEAELO CC[C@@H](NS(=O)(=O)c1c(C)cc(N)cc1C)c1[nH]cc[nH+]1 ZINC000138431407 186017108 /nfs/dbraw/zinc/01/71/08/186017108.db2.gz QBBNMFFVXJMBMM-GFCCVEGCSA-N 1 2 308.407 2.038 10 0 DEAELO C[C@@H](Nc1ccc(S(=O)(=O)NC2CC2)cc1)c1[nH]cc[nH+]1 ZINC000139899967 186024737 /nfs/dbraw/zinc/02/47/37/186024737.db2.gz BVECYSUUOIYRKY-SNVBAGLBSA-N 1 2 306.391 2.024 10 0 DEAELO O=S(=O)(NCCCc1[nH]cc[nH+]1)c1cccc2c1N=S=N2 ZINC000141518401 186029601 /nfs/dbraw/zinc/02/96/01/186029601.db2.gz SETCFZLWTQIRSZ-UHFFFAOYSA-N 1 2 323.403 2.047 10 0 DEAELO C[NH2+][C@]1(c2nc(C)c(C)s2)CCS(=O)(=O)c2ccccc21 ZINC000147743731 186041563 /nfs/dbraw/zinc/04/15/63/186041563.db2.gz KHHVCQKTJQXCST-OAHLLOKOSA-N 1 2 322.455 2.400 10 0 DEAELO C[C@@H](c1ccccc1Cl)N(C)c1nc(N)[nH+]c(N(C)C)n1 ZINC000149581879 186051010 /nfs/dbraw/zinc/05/10/10/186051010.db2.gz LVZZBOWUSQTRTM-VIFPVBQESA-N 1 2 306.801 2.371 10 0 DEAELO C[C@@H](c1ccccc1Cl)N(C)c1nc(N(C)C)nc(N)[nH+]1 ZINC000149581879 186051012 /nfs/dbraw/zinc/05/10/12/186051012.db2.gz LVZZBOWUSQTRTM-VIFPVBQESA-N 1 2 306.801 2.371 10 0 DEAELO Nc1nc(Sc2cc(F)ccc2F)nc(-n2cc[nH+]c2)n1 ZINC000150216970 186055310 /nfs/dbraw/zinc/05/53/10/186055310.db2.gz JIRBZJYMPGDLTR-UHFFFAOYSA-N 1 2 306.301 2.069 10 0 DEAELO CCCc1nc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)no1 ZINC000181881852 186214871 /nfs/dbraw/zinc/21/48/71/186214871.db2.gz VHKCAUPOTNTMOW-LBPRGKRZSA-N 1 2 312.377 2.454 10 0 DEAELO Cn1cc([C@@H]2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)C2)cn1 ZINC000172263827 198067240 /nfs/dbraw/zinc/06/72/40/198067240.db2.gz LXMSRMTVZLYYKP-OAHLLOKOSA-N 1 2 321.384 2.236 10 0 DEAELO Cc1nc(N2CCC[C@@H](O)[C@H]2C)c(Br)c(C)[nH+]1 ZINC000323229087 539905147 /nfs/dbraw/zinc/90/51/47/539905147.db2.gz 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CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCN(C)CC1 ZINC000073599003 191329891 /nfs/dbraw/zinc/32/98/91/191329891.db2.gz MODPVTQZXZBZRQ-MRXNPFEDSA-N 1 2 303.450 2.060 10 0 DEAELO O=C(C[C@@H]1COc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000074919578 191386936 /nfs/dbraw/zinc/38/69/36/191386936.db2.gz LLRFYPSPYAHOKB-OAHLLOKOSA-N 1 2 323.396 2.297 10 0 DEAELO C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)OCCO2)c1cccnc1 ZINC000074920091 191387422 /nfs/dbraw/zinc/38/74/22/191387422.db2.gz GLFDGWPWFOJWHJ-INIZCTEOSA-N 1 2 313.357 2.094 10 0 DEAELO CCO[C@@H](CCNC(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000074850866 191371775 /nfs/dbraw/zinc/37/17/75/191371775.db2.gz BUYYSOGVIDZXMV-HNNXBMFYSA-N 1 2 322.453 2.398 10 0 DEAELO C[C@H](NC(=O)NCC(C)(C)O)c1cccc(-n2cc[nH+]c2)c1 ZINC000074876386 191377091 /nfs/dbraw/zinc/37/70/91/191377091.db2.gz TYHQSWOJJZTQPC-LBPRGKRZSA-N 1 2 302.378 2.003 10 0 DEAELO CCN(CC)c1ccc(CNC(=O)NCc2cscn2)c[nH+]1 ZINC000126332731 355816621 /nfs/dbraw/zinc/81/66/21/355816621.db2.gz 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O=C(NCCCOC1CCOCC1)Nc1ccc2[nH+]ccn2c1 ZINC000608313559 361196513 /nfs/dbraw/zinc/19/65/13/361196513.db2.gz AMBNZCNREMUKHG-UHFFFAOYSA-N 1 2 318.377 2.042 10 0 DEAELO CCCCOC[C@H](O)Cn1c(CCCO)[nH+]c2ccccc21 ZINC000193371989 201040816 /nfs/dbraw/zinc/04/08/16/201040816.db2.gz LJLSPIKPAZFRBH-CQSZACIVSA-N 1 2 306.406 2.139 10 0 DEAELO COc1cc(C[N@@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1C ZINC000193913505 201143483 /nfs/dbraw/zinc/14/34/83/201143483.db2.gz YOSIUIOLCCNWGX-MRXNPFEDSA-N 1 2 301.390 2.101 10 0 DEAELO COc1cc(C[N@H+]2CCO[C@@H](Cn3cccn3)C2)ccc1C ZINC000193913505 201143486 /nfs/dbraw/zinc/14/34/86/201143486.db2.gz YOSIUIOLCCNWGX-MRXNPFEDSA-N 1 2 301.390 2.101 10 0 DEAELO CCOC(=O)[C@@](CSC[C@@H](C)CO)([NH2+]C(C)C)C1CC1 ZINC000091258359 193026611 /nfs/dbraw/zinc/02/66/11/193026611.db2.gz LZMXMJVXLHRCNI-WFASDCNBSA-N 1 2 303.468 2.058 10 0 DEAELO CCOC(=O)[C@](C)(C[C@H](C)S[C@@H](C)CCO)[NH2+]C1CC1 ZINC000091266740 193028251 /nfs/dbraw/zinc/02/82/51/193028251.db2.gz XVHTWCNUNHNROZ-HUBLWGQQSA-N 1 2 303.468 2.343 10 0 DEAELO CCC[NH2+][C@@](CS[C@@H](C)CCO)(C(=O)OCC)C1CC1 ZINC000091267715 193028942 /nfs/dbraw/zinc/02/89/42/193028942.db2.gz AMQMQECUGVVCOV-SWLSCSKDSA-N 1 2 303.468 2.202 10 0 DEAELO CCS(=O)(=O)CCCC(=O)C(C)(C)[NH+]1CCCCCC1 ZINC000091567402 193074682 /nfs/dbraw/zinc/07/46/82/193074682.db2.gz MCRLYDBIEMROCB-UHFFFAOYSA-N 1 2 303.468 2.425 10 0 DEAELO C[N@@H+](CC(=O)NC1CC1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091730435 193097662 /nfs/dbraw/zinc/09/76/62/193097662.db2.gz FRNWPQUOBMBYAY-CQSZACIVSA-N 1 2 321.808 2.043 10 0 DEAELO C[N@H+](CC(=O)NC1CC1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000091730435 193097664 /nfs/dbraw/zinc/09/76/64/193097664.db2.gz FRNWPQUOBMBYAY-CQSZACIVSA-N 1 2 321.808 2.043 10 0 DEAELO c1nc(N2CCSCC2)cc(N[C@H]2CO[C@H](C3CC3)C2)[nH+]1 ZINC000624674118 365512454 /nfs/dbraw/zinc/51/24/54/365512454.db2.gz UYTVRYNUGVBYIY-OLZOCXBDSA-N 1 2 306.435 2.009 10 0 DEAELO c1nc(N[C@H]2CO[C@H](C3CC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000624674118 365512464 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CC[NH2+][C@]1(C(=O)OC)CCC[C@@H](Sc2nncs2)C1 ZINC000093777978 193305140 /nfs/dbraw/zinc/30/51/40/193305140.db2.gz JKSJGGGVVSAERY-BXKDBHETSA-N 1 2 301.437 2.094 10 0 DEAELO COC(=O)[C@]1([NH2+]C2CC2)CCC[C@@H](Sc2ccncn2)C1 ZINC000093780182 193307514 /nfs/dbraw/zinc/30/75/14/193307514.db2.gz PJUZNEPNMJSYQZ-DOMZBBRYSA-N 1 2 307.419 2.175 10 0 DEAELO CCOC(=O)[C@]1([NH2+]C)CC[C@@H](Sc2nnc(C)s2)C1 ZINC000093851475 193318643 /nfs/dbraw/zinc/31/86/43/193318643.db2.gz ZWDJDMMIBFGIOP-SKDRFNHKSA-N 1 2 301.437 2.012 10 0 DEAELO CC[NH2+][C@@]1(C(=O)OC)CC[C@@H](Sc2nnc(C)s2)C1 ZINC000093851472 193318813 /nfs/dbraw/zinc/31/88/13/193318813.db2.gz SAMATMMMZGMCPQ-SKDRFNHKSA-N 1 2 301.437 2.012 10 0 DEAELO Brc1cccn2nc(NCCCn3cc[nH+]c3)nc12 ZINC000094602777 193383836 /nfs/dbraw/zinc/38/38/36/193383836.db2.gz QCKOLTYUOSMTRP-UHFFFAOYSA-N 1 2 321.182 2.191 10 0 DEAELO COCCN(C(=O)[C@H]1CCc2[nH+]c(C(C)C)[nH]c2C1)C1CC1 ZINC000530292512 284397320 /nfs/dbraw/zinc/39/73/20/284397320.db2.gz IQBWNNJJDYAWBI-LBPRGKRZSA-N 1 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ZINC000109819665 402277035 /nfs/dbraw/zinc/27/70/35/402277035.db2.gz UYQNZKGQFAXVOK-HNNXBMFYSA-N 1 2 322.453 2.099 10 0 DEAELO CCCCc1noc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000109819665 402277038 /nfs/dbraw/zinc/27/70/38/402277038.db2.gz UYQNZKGQFAXVOK-HNNXBMFYSA-N 1 2 322.453 2.099 10 0 DEAELO CCCCc1noc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000109819665 402277040 /nfs/dbraw/zinc/27/70/40/402277040.db2.gz UYQNZKGQFAXVOK-HNNXBMFYSA-N 1 2 322.453 2.099 10 0 DEAELO COc1cc(C)cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1O ZINC000176185794 402288294 /nfs/dbraw/zinc/28/82/94/402288294.db2.gz OMIMDBISDAXQRL-CYBMUJFWSA-N 1 2 315.373 2.211 10 0 DEAELO Cc1nn(C)c2ncc(C[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc12 ZINC000176429459 402308460 /nfs/dbraw/zinc/30/84/60/402308460.db2.gz KVPBIVRBFRXBAQ-LBPRGKRZSA-N 1 2 318.421 2.439 10 0 DEAELO Cc1nn(C)c2ncc(C[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)cc12 ZINC000176429459 402308461 /nfs/dbraw/zinc/30/84/61/402308461.db2.gz KVPBIVRBFRXBAQ-LBPRGKRZSA-N 1 2 318.421 2.439 10 0 DEAELO CNC(=O)c1cccc(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000176427639 402308631 /nfs/dbraw/zinc/30/86/31/402308631.db2.gz WHUJXYGXYGJORN-GFCCVEGCSA-N 1 2 306.406 2.208 10 0 DEAELO CNC(=O)c1cccc(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000176427639 402308634 /nfs/dbraw/zinc/30/86/34/402308634.db2.gz WHUJXYGXYGJORN-GFCCVEGCSA-N 1 2 306.406 2.208 10 0 DEAELO O=C(NCCn1cc[nH+]c1)NCc1cccc(-c2ccccn2)c1 ZINC000158951152 402314869 /nfs/dbraw/zinc/31/48/69/402314869.db2.gz UKUURITUSQQEBZ-UHFFFAOYSA-N 1 2 321.384 2.445 10 0 DEAELO CCC(CC)NC(=O)[C@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185277695 402340462 /nfs/dbraw/zinc/34/04/62/402340462.db2.gz CUSSJXBXFOGTKH-YEJXKQKISA-N 1 2 316.511 2.303 10 0 DEAELO CCC(CC)NC(=O)[C@H](C)[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000185277695 402340466 /nfs/dbraw/zinc/34/04/66/402340466.db2.gz CUSSJXBXFOGTKH-YEJXKQKISA-N 1 2 316.511 2.303 10 0 DEAELO CCC(CC)NC(=O)[C@H](C)[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176881337 402345712 /nfs/dbraw/zinc/34/57/12/402345712.db2.gz 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313.224 2.416 10 0 DEAELO S=C1OCCN1C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000155204895 684268442 /nfs/dbraw/zinc/26/84/42/684268442.db2.gz SCCOMXQPPVYJAX-NSHDSACASA-N 1 2 312.822 2.368 10 0 DEAELO S=C1OCCN1C[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000155204895 684268445 /nfs/dbraw/zinc/26/84/45/684268445.db2.gz SCCOMXQPPVYJAX-NSHDSACASA-N 1 2 312.822 2.368 10 0 DEAELO COC(=O)CCCCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000187516381 684338847 /nfs/dbraw/zinc/33/88/47/684338847.db2.gz IXVWLUPUXFLTJG-UHFFFAOYSA-N 1 2 315.373 2.222 10 0 DEAELO Cc1csc([C@H]2CCC[N@H+](CN3C(=O)CC(C)(C)C3=O)C2)n1 ZINC000195304873 685093589 /nfs/dbraw/zinc/09/35/89/685093589.db2.gz BWCDVXAGMOXDQQ-LBPRGKRZSA-N 1 2 321.446 2.374 10 0 DEAELO Cc1csc([C@H]2CCC[N@@H+](CN3C(=O)CC(C)(C)C3=O)C2)n1 ZINC000195304873 685093599 /nfs/dbraw/zinc/09/35/99/685093599.db2.gz BWCDVXAGMOXDQQ-LBPRGKRZSA-N 1 2 321.446 2.374 10 0 DEAELO C[N@H+](CCc1ccc(F)cc1)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000249768857 685187485 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199367806 /nfs/dbraw/zinc/36/78/06/199367806.db2.gz CCSMLFHRNIVAFF-AWEZNQCLSA-N 1 2 305.422 2.400 10 0 DEAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc(-c4ccoc4)no3)[C@@H]2C1 ZINC000158447661 539576756 /nfs/dbraw/zinc/57/67/56/539576756.db2.gz CGXOXLCNKSHIGH-MGPQQGTHSA-N 1 2 319.361 2.098 10 0 DEAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc(-c4ccoc4)no3)[C@@H]2C1 ZINC000158447661 539576762 /nfs/dbraw/zinc/57/67/62/539576762.db2.gz CGXOXLCNKSHIGH-MGPQQGTHSA-N 1 2 319.361 2.098 10 0 DEAELO Nc1[nH+]cccc1[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000616608889 362897888 /nfs/dbraw/zinc/89/78/88/362897888.db2.gz GYGMDHATKQSORS-CYBMUJFWSA-N 1 2 317.414 2.232 10 0 DEAELO CC(C)(C)OC(=O)Nc1cccc([C@H]2CN(C(N)=O)CC[NH2+]2)c1 ZINC000616650841 362905148 /nfs/dbraw/zinc/90/51/48/362905148.db2.gz CBHFUUFXACGHDC-CYBMUJFWSA-N 1 2 320.393 2.059 10 0 DEAELO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000180285098 539644965 /nfs/dbraw/zinc/64/49/65/539644965.db2.gz JVSQKCQBRPQDBB-QGZVFWFLSA-N 1 2 301.390 2.262 10 0 DEAELO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000180285098 539644968 /nfs/dbraw/zinc/64/49/68/539644968.db2.gz JVSQKCQBRPQDBB-QGZVFWFLSA-N 1 2 301.390 2.262 10 0 DEAELO COc1cc(OC)c(C[NH2+][C@@H](C)c2nccn2C)c(OC)c1 ZINC000182500208 539657153 /nfs/dbraw/zinc/65/71/53/539657153.db2.gz ZXEBCXIAXPDVEF-NSHDSACASA-N 1 2 305.378 2.297 10 0 DEAELO COc1cc(OC)c(CN[C@@H](C)c2[nH+]ccn2C)c(OC)c1 ZINC000182500208 539657157 /nfs/dbraw/zinc/65/71/57/539657157.db2.gz ZXEBCXIAXPDVEF-NSHDSACASA-N 1 2 305.378 2.297 10 0 DEAELO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC(=O)NC(C)(C)C ZINC000191618932 539702236 /nfs/dbraw/zinc/70/22/36/539702236.db2.gz UFXSFTXUNFMDHI-ZDUSSCGKSA-N 1 2 307.413 2.251 10 0 DEAELO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC(=O)NC(C)(C)C ZINC000191618932 539702239 /nfs/dbraw/zinc/70/22/39/539702239.db2.gz UFXSFTXUNFMDHI-ZDUSSCGKSA-N 1 2 307.413 2.251 10 0 DEAELO COc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000220539615 539727868 /nfs/dbraw/zinc/72/78/68/539727868.db2.gz YCUBGHRIEKKSMI-SNVBAGLBSA-N 1 2 301.346 2.171 10 0 DEAELO COc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000220539615 539727869 /nfs/dbraw/zinc/72/78/69/539727869.db2.gz YCUBGHRIEKKSMI-SNVBAGLBSA-N 1 2 301.346 2.171 10 0 DEAELO CNc1nc(-n2cccn2)nc(NCc2ccc(C)s2)[nH+]1 ZINC000133631633 186000974 /nfs/dbraw/zinc/00/09/74/186000974.db2.gz NFIHWWKRCSQGCV-UHFFFAOYSA-N 1 2 301.379 2.081 10 0 DEAELO CC[C@H](NC(=O)[C@@H](C(N)=S)c1ccccc1)c1[nH]cc[nH+]1 ZINC000139689402 186022981 /nfs/dbraw/zinc/02/29/81/186022981.db2.gz ZTVQGJQEBYTSQC-NWDGAFQWSA-N 1 2 302.403 2.047 10 0 DEAELO Cc1cc(NC(=O)[C@@H]2CC[C@@H](C)O2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150695799 186057422 /nfs/dbraw/zinc/05/74/22/186057422.db2.gz QYUIBVURPJODKE-YPMHNXCESA-N 1 2 315.377 2.094 10 0 DEAELO Cc1cc(NCC2(CO)CCOCC2)nc(-c2cccnc2)[nH+]1 ZINC000164046411 186146932 /nfs/dbraw/zinc/14/69/32/186146932.db2.gz UQHHNMAIJUHWGG-UHFFFAOYSA-N 1 2 314.389 2.048 10 0 DEAELO CCn1ncc(Br)c1C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000164248840 186153144 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Cc1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCOC(C)(C)C2)o1 ZINC000171004221 402548692 /nfs/dbraw/zinc/54/86/92/402548692.db2.gz YBMLDIXYDFWOER-CYBMUJFWSA-N 1 2 309.410 2.059 10 0 DEAELO CSc1ccc(OCC[N@@H+]2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247236477 402560763 /nfs/dbraw/zinc/56/07/63/402560763.db2.gz DIZMGQGRQCCEMY-CABCVRRESA-N 1 2 324.490 2.174 10 0 DEAELO CSc1ccc(OCC[N@H+]2CCN(C[C@H](C)O)[C@H](C)C2)cc1 ZINC000247236477 402560764 /nfs/dbraw/zinc/56/07/64/402560764.db2.gz DIZMGQGRQCCEMY-CABCVRRESA-N 1 2 324.490 2.174 10 0 DEAELO COCc1nc(CN[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000189886742 402564921 /nfs/dbraw/zinc/56/49/21/402564921.db2.gz CTHMNDZYMVBZJW-LBPRGKRZSA-N 1 2 313.361 2.253 10 0 DEAELO C[C@H]1OCCC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000190098285 402575770 /nfs/dbraw/zinc/57/57/70/402575770.db2.gz FUFFJRPZPCPCHR-OCCSQVGLSA-N 1 2 317.364 2.443 10 0 DEAELO C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(Oc2cc[nH+]cc2)cc1 ZINC000170822218 402529062 /nfs/dbraw/zinc/52/90/62/402529062.db2.gz 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COCCc1noc(C[N@H+]2CCC[C@@H](c3nccs3)C2)n1 ZINC000171637400 402604350 /nfs/dbraw/zinc/60/43/50/402604350.db2.gz LLHWLOKNDKLMOU-LLVKDONJSA-N 1 2 308.407 2.095 10 0 DEAELO O=C(C[N@@H+]1CCC[C@H](n2cncn2)C1)Nc1cccc(Cl)c1 ZINC000171704075 402611993 /nfs/dbraw/zinc/61/19/93/402611993.db2.gz CLVYDGDPGRHFTQ-AWEZNQCLSA-N 1 2 319.796 2.207 10 0 DEAELO O=C(C[N@H+]1CCC[C@H](n2cncn2)C1)Nc1cccc(Cl)c1 ZINC000171704075 402611994 /nfs/dbraw/zinc/61/19/94/402611994.db2.gz CLVYDGDPGRHFTQ-AWEZNQCLSA-N 1 2 319.796 2.207 10 0 DEAELO c1ncn([C@H]2CCC[N@@H+](Cc3nc(Cc4ccccc4)no3)C2)n1 ZINC000171705760 402612766 /nfs/dbraw/zinc/61/27/66/402612766.db2.gz AVHFQQDDBZRMDL-HNNXBMFYSA-N 1 2 324.388 2.089 10 0 DEAELO c1ncn([C@H]2CCC[N@H+](Cc3nc(Cc4ccccc4)no3)C2)n1 ZINC000171705760 402612768 /nfs/dbraw/zinc/61/27/68/402612768.db2.gz AVHFQQDDBZRMDL-HNNXBMFYSA-N 1 2 324.388 2.089 10 0 DEAELO CCC1(CC)C[N@@H+]([C@H](C)C(=O)NCCC(C)C)CC[S@]1=O ZINC000249055448 402618969 /nfs/dbraw/zinc/61/89/69/402618969.db2.gz 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/nfs/dbraw/zinc/64/58/27/402645827.db2.gz OMTHCWIHZFHLQF-UHFFFAOYSA-N 1 2 310.463 2.253 10 0 DEAELO CN1C(=O)C[C@H]([NH2+]Cc2csnn2)[C@@H]1c1ccc(Cl)cc1 ZINC000182665349 402707110 /nfs/dbraw/zinc/70/71/10/402707110.db2.gz ZOBMDEXGGQYHGB-JSGCOSHPSA-N 1 2 322.821 2.253 10 0 DEAELO Cc1nnc([C@H]2C[N@H+](CCOc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173676388 402708421 /nfs/dbraw/zinc/70/84/21/402708421.db2.gz WKONNKANYMZUMU-CQSZACIVSA-N 1 2 322.796 2.219 10 0 DEAELO Cc1nnc([C@H]2C[N@@H+](CCOc3ccc(Cl)cc3)CCO2)[nH]1 ZINC000173676388 402708424 /nfs/dbraw/zinc/70/84/24/402708424.db2.gz WKONNKANYMZUMU-CQSZACIVSA-N 1 2 322.796 2.219 10 0 DEAELO O=C(NCC1CCCCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173789389 402712872 /nfs/dbraw/zinc/71/28/72/402712872.db2.gz JBLWIHSRVTYTHH-KRWDZBQOSA-N 1 2 323.481 2.463 10 0 DEAELO C[C@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173812547 402714172 /nfs/dbraw/zinc/71/41/72/402714172.db2.gz TXVSJDCBBCLBAQ-WFASDCNBSA-N 1 2 308.809 2.133 10 0 DEAELO O=C(c1cccc(C(F)F)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172752539 402673786 /nfs/dbraw/zinc/67/37/86/402673786.db2.gz FNVOHEOQNANWPQ-AWEZNQCLSA-N 1 2 310.344 2.171 10 0 DEAELO O=C(c1cc2cc(F)ccc2o1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172759053 402674226 /nfs/dbraw/zinc/67/42/26/402674226.db2.gz XYYFHTVQPIWZPP-AWEZNQCLSA-N 1 2 318.348 2.119 10 0 DEAELO O=C(c1cccc2ccccc21)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172765604 402674667 /nfs/dbraw/zinc/67/46/67/402674667.db2.gz ADZIQNWLVCGHIT-INIZCTEOSA-N 1 2 310.397 2.387 10 0 DEAELO CC[C@@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)C[C@@H](C)O1 ZINC000173455030 402698197 /nfs/dbraw/zinc/69/81/97/402698197.db2.gz HYWGXRLNTSAMFU-ZIAGYGMSSA-N 1 2 308.426 2.248 10 0 DEAELO Cc1csc([C@@H]2C[N@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)n1 ZINC000191977104 402702130 /nfs/dbraw/zinc/70/21/30/402702130.db2.gz VSMPAKBVMKKDGW-STQMWFEESA-N 1 2 322.430 2.311 10 0 DEAELO Cc1csc([C@@H]2C[N@@H+](C[C@@H]3CC4(CCC4)C(=O)O3)CCO2)n1 ZINC000191977104 402702133 /nfs/dbraw/zinc/70/21/33/402702133.db2.gz VSMPAKBVMKKDGW-STQMWFEESA-N 1 2 322.430 2.311 10 0 DEAELO COCc1csc(NC(=O)NCCCNc2cccc[nH+]2)n1 ZINC000174377486 402738450 /nfs/dbraw/zinc/73/84/50/402738450.db2.gz AUFFEZZDMQTDSI-UHFFFAOYSA-N 1 2 321.406 2.308 10 0 DEAELO COc1ccccc1[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263252762 402750708 /nfs/dbraw/zinc/75/07/08/402750708.db2.gz QDXPJDKYBZQPLN-YPMHNXCESA-N 1 2 310.344 2.008 10 0 DEAELO COc1ccc([C@H]2CCN(C(=O)[C@@H]3CC(F)(F)C[NH2+]3)C2)cc1 ZINC000263306691 402757077 /nfs/dbraw/zinc/75/70/77/402757077.db2.gz XYPWULZHQHOLHM-JSGCOSHPSA-N 1 2 310.344 2.008 10 0 DEAELO C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccnc1 ZINC000173963221 402721947 /nfs/dbraw/zinc/72/19/47/402721947.db2.gz INCUARRHXOIXFT-AWEZNQCLSA-N 1 2 310.401 2.365 10 0 DEAELO C[C@@H]1CC[C@@H](CCC(=O)NCc2cccnc2-n2cc[nH+]c2)O1 ZINC000175251060 402791806 /nfs/dbraw/zinc/79/18/06/402791806.db2.gz XXJQYMHWERBNGH-HIFRSBDPSA-N 1 2 314.389 2.231 10 0 DEAELO C[C@H](C(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000175413655 402804759 /nfs/dbraw/zinc/80/47/59/402804759.db2.gz GJYJXCZKNUODOQ-QWRGUYRKSA-N 1 2 316.854 2.342 10 0 DEAELO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000194604467 402804911 /nfs/dbraw/zinc/80/49/11/402804911.db2.gz NQXHREPVXMKNJZ-SNVBAGLBSA-N 1 2 300.761 2.399 10 0 DEAELO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000194604467 402804912 /nfs/dbraw/zinc/80/49/12/402804912.db2.gz NQXHREPVXMKNJZ-SNVBAGLBSA-N 1 2 300.761 2.399 10 0 DEAELO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194629194 402806450 /nfs/dbraw/zinc/80/64/50/402806450.db2.gz MPJHLSYCUJBOBO-GFCCVEGCSA-N 1 2 322.792 2.455 10 0 DEAELO Cc1c2cc(Cl)ccc2oc1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194629194 402806453 /nfs/dbraw/zinc/80/64/53/402806453.db2.gz MPJHLSYCUJBOBO-GFCCVEGCSA-N 1 2 322.792 2.455 10 0 DEAELO Cn1cc(Cl)cc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000194659658 402808533 /nfs/dbraw/zinc/80/85/33/402808533.db2.gz HMBPVADTWGTTKX-UHFFFAOYSA-N 1 2 315.764 2.189 10 0 DEAELO Cc1ccc(OCC(=O)NCc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000194661824 402808597 /nfs/dbraw/zinc/80/85/97/402808597.db2.gz QQZSIFKPOJBEFU-UHFFFAOYSA-N 1 2 322.368 2.271 10 0 DEAELO Cc1oc2ccccc2c1C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000184000268 402811805 /nfs/dbraw/zinc/81/18/05/402811805.db2.gz SICSEEWJNSSTDI-CQSZACIVSA-N 1 2 314.385 2.334 10 0 DEAELO Cc1oc2ccccc2c1C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000184000268 402811807 /nfs/dbraw/zinc/81/18/07/402811807.db2.gz SICSEEWJNSSTDI-CQSZACIVSA-N 1 2 314.385 2.334 10 0 DEAELO Cc1csc(C2([NH2+]Cc3cnc(N(C)C)nc3)CCC2)n1 ZINC000263854483 402813171 /nfs/dbraw/zinc/81/31/71/402813171.db2.gz QQRCMNLXTKSHFH-UHFFFAOYSA-N 1 2 303.435 2.477 10 0 DEAELO CCn1cc(C2CC[NH+](Cc3nc([C@H](C)OC)no3)CC2)cn1 ZINC000175147960 402783148 /nfs/dbraw/zinc/78/31/48/402783148.db2.gz CKVZRNGJKFJVJY-LBPRGKRZSA-N 1 2 319.409 2.373 10 0 DEAELO CNC(=O)[C@@H]([NH2+]Cc1ncc(-c2ccccc2F)o1)C(C)C ZINC000183651676 402785253 /nfs/dbraw/zinc/78/52/53/402785253.db2.gz LEFGDHBAXWPCNZ-HNNXBMFYSA-N 1 2 305.353 2.341 10 0 DEAELO O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C1=CCOCC1 ZINC000194212259 402788282 /nfs/dbraw/zinc/78/82/82/402788282.db2.gz IPYUHMAIHXCXGA-UHFFFAOYSA-N 1 2 320.820 2.161 10 0 DEAELO O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1=CCOCC1 ZINC000194212259 402788286 /nfs/dbraw/zinc/78/82/86/402788286.db2.gz IPYUHMAIHXCXGA-UHFFFAOYSA-N 1 2 320.820 2.161 10 0 DEAELO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506644 402848217 /nfs/dbraw/zinc/84/82/17/402848217.db2.gz QBIJTPLEIUJUJX-ZFWWWQNUSA-N 1 2 304.438 2.284 10 0 DEAELO C/C(=C\c1ccc(F)cc1)C(=O)N(C)[C@@H](C)C[NH+]1CCOCC1 ZINC000279293619 402927528 /nfs/dbraw/zinc/92/75/28/402927528.db2.gz LRWXHUXVTMGLFQ-ZQHYZAEZSA-N 1 2 320.408 2.408 10 0 DEAELO Cc1cc(C)nc(N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000281741689 403087629 /nfs/dbraw/zinc/08/76/29/403087629.db2.gz FDQMVRGALVGCQB-AWEZNQCLSA-N 1 2 313.405 2.212 10 0 DEAELO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000275677685 403114937 /nfs/dbraw/zinc/11/49/37/403114937.db2.gz PYGTVCDQHXWQPZ-CABCVRRESA-N 1 2 315.417 2.484 10 0 DEAELO Cn1cc[nH+]c1[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C ZINC000276509496 403182219 /nfs/dbraw/zinc/18/22/19/403182219.db2.gz CHALDCNPQFAGMM-AWEZNQCLSA-N 1 2 324.384 2.295 10 0 DEAELO C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CCS1 ZINC000277714941 403248537 /nfs/dbraw/zinc/24/85/37/403248537.db2.gz GLQFBEIYQKKKIG-GFCCVEGCSA-N 1 2 302.403 2.235 10 0 DEAELO c1[nH]nc2c1[C@H](c1nc(Cc3cn4ccccc4[nH+]3)no1)CCC2 ZINC000277804055 403258969 /nfs/dbraw/zinc/25/89/69/403258969.db2.gz GPZBCWBSFONFQC-GFCCVEGCSA-N 1 2 320.356 2.499 10 0 DEAELO CCCc1cnc(NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)s1 ZINC000284900510 403272705 /nfs/dbraw/zinc/27/27/05/403272705.db2.gz TUPMFQFLTLYULI-QWHCGFSZSA-N 1 2 324.450 2.032 10 0 DEAELO CCCc1cnc(NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)s1 ZINC000284900510 403272706 /nfs/dbraw/zinc/27/27/06/403272706.db2.gz TUPMFQFLTLYULI-QWHCGFSZSA-N 1 2 324.450 2.032 10 0 DEAELO COc1ccccc1/C=C\C[N@@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000340500532 403629435 /nfs/dbraw/zinc/62/94/35/403629435.db2.gz ULWIZKSBPCXMNG-JFOCPDPESA-N 1 2 315.373 2.208 10 0 DEAELO COc1ccccc1/C=C\C[N@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1 ZINC000340500532 403629440 /nfs/dbraw/zinc/62/94/40/403629440.db2.gz ULWIZKSBPCXMNG-JFOCPDPESA-N 1 2 315.373 2.208 10 0 DEAELO c1nnn(Cc2ccccc2)c1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294222457 403676340 /nfs/dbraw/zinc/67/63/40/403676340.db2.gz YWFFFGXAVDQVMB-RBUKOAKNSA-N 1 2 324.428 2.470 10 0 DEAELO c1nnn(Cc2ccccc2)c1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294222457 403676345 /nfs/dbraw/zinc/67/63/45/403676345.db2.gz YWFFFGXAVDQVMB-RBUKOAKNSA-N 1 2 324.428 2.470 10 0 DEAELO CCn1cc[nH+]c1CNC(=O)N1CCO[C@H](C2CCCCC2)C1 ZINC000333238329 403703507 /nfs/dbraw/zinc/70/35/07/403703507.db2.gz ZKHWOYGGQVQBRU-HNNXBMFYSA-N 1 2 320.437 2.394 10 0 DEAELO Cc1nn(C)c2ncc(C[N@@H+]3CCO[C@@H](C4CCC4)C3)cc12 ZINC000411875505 404000865 /nfs/dbraw/zinc/00/08/65/404000865.db2.gz OQEJCODUJMNBDK-MRXNPFEDSA-N 1 2 300.406 2.278 10 0 DEAELO Cc1nn(C)c2ncc(C[N@H+]3CCO[C@@H](C4CCC4)C3)cc12 ZINC000411875505 404000868 /nfs/dbraw/zinc/00/08/68/404000868.db2.gz OQEJCODUJMNBDK-MRXNPFEDSA-N 1 2 300.406 2.278 10 0 DEAELO Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2Cc2cccc3cccnc32)n1 ZINC000328626485 404120523 /nfs/dbraw/zinc/12/05/23/404120523.db2.gz LTLOOVWPUUEPKS-HUUCEWRRSA-N 1 2 310.357 2.234 10 0 DEAELO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2Cc2cccc3cccnc32)n1 ZINC000328626485 404120527 /nfs/dbraw/zinc/12/05/27/404120527.db2.gz LTLOOVWPUUEPKS-HUUCEWRRSA-N 1 2 310.357 2.234 10 0 DEAELO CC(=O)c1ccc(C(=O)NCc2[nH+]ccn2CC(C)C)cc1O ZINC000412132996 404151905 /nfs/dbraw/zinc/15/19/05/404151905.db2.gz QQPXOXSDEQOIHP-UHFFFAOYSA-N 1 2 315.373 2.377 10 0 DEAELO C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1cc[nH+]c(C2CC2)n1 ZINC000328922353 404174167 /nfs/dbraw/zinc/17/41/67/404174167.db2.gz CLDDQQYSRXIZEW-KEYYUXOJSA-N 1 2 303.406 2.110 10 0 DEAELO CCCc1ccc(C(=O)N2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000363926023 404254375 /nfs/dbraw/zinc/25/43/75/404254375.db2.gz XUWTZWBXKQBROH-QGZVFWFLSA-N 1 2 302.418 2.186 10 0 DEAELO C1CC1[N@@H+]1CCC[C@H]1c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329699057 404428067 /nfs/dbraw/zinc/42/80/67/404428067.db2.gz YYOOLVOHKIGEDK-SOUVJXGZSA-N 1 2 318.421 2.295 10 0 DEAELO C1CC1[N@H+]1CCC[C@H]1c1nc([C@H]2CN3CCCC[C@H]3CO2)no1 ZINC000329699057 404428068 /nfs/dbraw/zinc/42/80/68/404428068.db2.gz YYOOLVOHKIGEDK-SOUVJXGZSA-N 1 2 318.421 2.295 10 0 DEAELO Cn1c[nH+]cc1Cc1noc(-c2cc3c(s2)CCOC3)n1 ZINC000329540687 404370612 /nfs/dbraw/zinc/37/06/12/404370612.db2.gz DAMXHVOYIHWLTN-UHFFFAOYSA-N 1 2 302.359 2.195 10 0 DEAELO CO[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000373763844 404583439 /nfs/dbraw/zinc/58/34/39/404583439.db2.gz WXTPPIZCAFDWGC-RWMBFGLXSA-N 1 2 305.422 2.322 10 0 DEAELO CO[C@@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000373763844 404583442 /nfs/dbraw/zinc/58/34/42/404583442.db2.gz WXTPPIZCAFDWGC-RWMBFGLXSA-N 1 2 305.422 2.322 10 0 DEAELO Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)c2ccnc3ccncc32)C1 ZINC000375949503 404777005 /nfs/dbraw/zinc/77/70/05/404777005.db2.gz SZYCLVVKSWBAEF-CYBMUJFWSA-N 1 2 321.384 2.383 10 0 DEAELO Cn1cc[nH+]c1[C@H]1CCCN(C(=O)c2ccnc3ccncc32)C1 ZINC000375949504 404777235 /nfs/dbraw/zinc/77/72/35/404777235.db2.gz SZYCLVVKSWBAEF-ZDUSSCGKSA-N 1 2 321.384 2.383 10 0 DEAELO COc1cc(C[N@@H+]2CCO[C@H](c3nnc(C)o3)C2)ccc1C ZINC000376035048 404792411 /nfs/dbraw/zinc/79/24/11/404792411.db2.gz POULHVKNZAEPRZ-HNNXBMFYSA-N 1 2 303.362 2.269 10 0 DEAELO COc1cc(C[N@H+]2CCO[C@H](c3nnc(C)o3)C2)ccc1C ZINC000376035048 404792415 /nfs/dbraw/zinc/79/24/15/404792415.db2.gz POULHVKNZAEPRZ-HNNXBMFYSA-N 1 2 303.362 2.269 10 0 DEAELO Cc1nccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000366486038 404800411 /nfs/dbraw/zinc/80/04/11/404800411.db2.gz LTWWFCDVKVDMHJ-KRWDZBQOSA-N 1 2 310.401 2.412 10 0 DEAELO Cc1nccc(C[N@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)n1 ZINC000366486038 404800413 /nfs/dbraw/zinc/80/04/13/404800413.db2.gz LTWWFCDVKVDMHJ-KRWDZBQOSA-N 1 2 310.401 2.412 10 0 DEAELO CCCc1nc(C[N@@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)cs1 ZINC000451129513 404875267 /nfs/dbraw/zinc/87/52/67/404875267.db2.gz CSUVJOHMGRIKMK-CYBMUJFWSA-N 1 2 324.446 2.107 10 0 DEAELO CCCc1nc(C[N@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)cs1 ZINC000451129513 404875273 /nfs/dbraw/zinc/87/52/73/404875273.db2.gz CSUVJOHMGRIKMK-CYBMUJFWSA-N 1 2 324.446 2.107 10 0 DEAELO CCOC(=O)CC[N@H+](Cc1cccnc1)Cc1ccnc(C)n1 ZINC000361315623 405018857 /nfs/dbraw/zinc/01/88/57/405018857.db2.gz LQYDCPVENICVDP-UHFFFAOYSA-N 1 2 314.389 2.135 10 0 DEAELO CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1ccnc(C)n1 ZINC000361315623 405018862 /nfs/dbraw/zinc/01/88/62/405018862.db2.gz LQYDCPVENICVDP-UHFFFAOYSA-N 1 2 314.389 2.135 10 0 DEAELO O=S(=O)(c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)o1)N1CCCC1 ZINC000407950458 405074313 /nfs/dbraw/zinc/07/43/13/405074313.db2.gz HBRPYPKHMMAAGC-TZMCWYRMSA-N 1 2 310.419 2.048 10 0 DEAELO O=S(=O)(c1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)o1)N1CCCC1 ZINC000407950458 405074319 /nfs/dbraw/zinc/07/43/19/405074319.db2.gz HBRPYPKHMMAAGC-TZMCWYRMSA-N 1 2 310.419 2.048 10 0 DEAELO CC(C)[C@@](C)(O)C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000407962920 405078155 /nfs/dbraw/zinc/07/81/55/405078155.db2.gz CKSPRTGOJVBYPE-KBXCAEBGSA-N 1 2 319.449 2.332 10 0 DEAELO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCOCC[C@H]2C)c1C ZINC000367670221 405120593 /nfs/dbraw/zinc/12/05/93/405120593.db2.gz ZQQZAAPZFJPUDH-LLVKDONJSA-N 1 2 322.405 2.102 10 0 DEAELO CCOC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCOCC[C@H]2C)c1C ZINC000367670221 405120596 /nfs/dbraw/zinc/12/05/96/405120596.db2.gz ZQQZAAPZFJPUDH-LLVKDONJSA-N 1 2 322.405 2.102 10 0 DEAELO CCCCc1noc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)n1 ZINC000452000602 405122108 /nfs/dbraw/zinc/12/21/08/405122108.db2.gz VLLOHOZXOXKWFM-OLZOCXBDSA-N 1 2 323.441 2.209 10 0 DEAELO CCCCc1noc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)n1 ZINC000452000602 405122112 /nfs/dbraw/zinc/12/21/12/405122112.db2.gz VLLOHOZXOXKWFM-OLZOCXBDSA-N 1 2 323.441 2.209 10 0 DEAELO Cc1cn2c([nH+]1)CN(S(=O)(=O)c1ccc(C)c(C)c1)CC2 ZINC000367783876 405153611 /nfs/dbraw/zinc/15/36/11/405153611.db2.gz ODWRXRTWAVBAPL-UHFFFAOYSA-N 1 2 305.403 2.013 10 0 DEAELO C[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@@]2(CCCOC2)O1 ZINC000408347900 405180734 /nfs/dbraw/zinc/18/07/34/405180734.db2.gz BYYFJGMKDLHVLG-MLGOLLRUSA-N 1 2 319.361 2.100 10 0 DEAELO C[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@@]2(CCCOC2)O1 ZINC000408347900 405180743 /nfs/dbraw/zinc/18/07/43/405180743.db2.gz BYYFJGMKDLHVLG-MLGOLLRUSA-N 1 2 319.361 2.100 10 0 DEAELO Cc1cnc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(O)c1 ZINC000408371790 405188750 /nfs/dbraw/zinc/18/87/50/405188750.db2.gz FAYFYNBEDRMRGL-OLZOCXBDSA-N 1 2 300.362 2.015 10 0 DEAELO CC1(C)CCCCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000408441931 405208037 /nfs/dbraw/zinc/20/80/37/405208037.db2.gz HDKUKHKMHSZBCY-CQSZACIVSA-N 1 2 304.438 2.454 10 0 DEAELO CC1(C)CCCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000408441931 405208041 /nfs/dbraw/zinc/20/80/41/405208041.db2.gz HDKUKHKMHSZBCY-CQSZACIVSA-N 1 2 304.438 2.454 10 0 DEAELO COCc1n[nH]c([C@H]2CCCCN2c2cc(C)[nH+]c(C)n2)n1 ZINC000408469812 405214767 /nfs/dbraw/zinc/21/47/67/405214767.db2.gz STBTYVGSJJQKCG-GFCCVEGCSA-N 1 2 302.382 2.090 10 0 DEAELO COCc1nc([C@H]2CCCCN2c2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000408469812 405214772 /nfs/dbraw/zinc/21/47/72/405214772.db2.gz STBTYVGSJJQKCG-GFCCVEGCSA-N 1 2 302.382 2.090 10 0 DEAELO CC(=O)N[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)[nH+]c2C)C1 ZINC000408470703 405214958 /nfs/dbraw/zinc/21/49/58/405214958.db2.gz VHSRBHXPJCHKNU-CQSZACIVSA-N 1 2 304.394 2.139 10 0 DEAELO c1ccc(-c2ccc(C[N@@H+]3CCOC[C@]34CCOC4)cn2)nc1 ZINC000425450912 405292955 /nfs/dbraw/zinc/29/29/55/405292955.db2.gz ZFKYUQZSCCWFOL-GOSISDBHSA-N 1 2 311.385 2.135 10 0 DEAELO c1ccc(-c2ccc(C[N@H+]3CCOC[C@]34CCOC4)cn2)nc1 ZINC000425450912 405292957 /nfs/dbraw/zinc/29/29/57/405292957.db2.gz ZFKYUQZSCCWFOL-GOSISDBHSA-N 1 2 311.385 2.135 10 0 DEAELO COc1ccc(C(=O)C[C@H](C)C(=O)N(C)Cc2[nH]cc[nH+]2)cc1 ZINC000448937542 405466238 /nfs/dbraw/zinc/46/62/38/405466238.db2.gz QFLQNPXVWDDWTI-LBPRGKRZSA-N 1 2 315.373 2.286 10 0 DEAELO O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000635891221 405585328 /nfs/dbraw/zinc/58/53/28/405585328.db2.gz GLRGZDIBMYYVSK-DFMBRWPFSA-N 1 2 303.406 2.055 10 0 DEAELO O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000635891221 405585334 /nfs/dbraw/zinc/58/53/34/405585334.db2.gz GLRGZDIBMYYVSK-DFMBRWPFSA-N 1 2 303.406 2.055 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CC2(C1)CCCCC2 ZINC000560318421 405787275 /nfs/dbraw/zinc/78/72/75/405787275.db2.gz YDIGGTRKVKSCFP-UHFFFAOYSA-N 1 2 312.373 2.066 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCc1nccs1)C2 ZINC000530421838 405799710 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306.163 2.434 10 0 DEAELO O=C(Nc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCc2n[nH]cc21 ZINC000132978790 196301584 /nfs/dbraw/zinc/30/15/84/196301584.db2.gz FROXZFATJRTOQF-LBPRGKRZSA-N 1 2 308.345 2.049 10 0 DEAELO Cn1cc[nH+]c1[C@H](NN)c1cccc(Br)c1Cl ZINC000133852133 196339480 /nfs/dbraw/zinc/33/94/80/196339480.db2.gz HOSRCADFZGVFIB-SNVBAGLBSA-N 1 2 315.602 2.389 10 0 DEAELO CC(C)Oc1cncc(C(=O)NCc2ccc[nH+]c2N(C)C)c1 ZINC000133935379 196347001 /nfs/dbraw/zinc/34/70/01/196347001.db2.gz COYWFLCRNPYBMV-UHFFFAOYSA-N 1 2 314.389 2.260 10 0 DEAELO CCC[C@@H](C(=O)Nc1nc(-c2ccc(C)cc2)n[nH]1)[NH+](C)C ZINC000134276239 196375947 /nfs/dbraw/zinc/37/59/47/196375947.db2.gz KREMYWBSMIHOAM-ZDUSSCGKSA-N 1 2 301.394 2.449 10 0 DEAELO C[C@H](CNc1nnc(-c2ccccn2)s1)[N@@H+]1CCOC[C@H]1C ZINC000302031037 230048932 /nfs/dbraw/zinc/04/89/32/230048932.db2.gz NEQLKJNIIHATTJ-VXGBXAGGSA-N 1 2 319.434 2.121 10 0 DEAELO C[C@H](CNc1nnc(-c2ccccn2)s1)[N@H+]1CCOC[C@H]1C ZINC000302031037 230048936 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CCn1ccnc1C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1OC ZINC000072253805 191086719 /nfs/dbraw/zinc/08/67/19/191086719.db2.gz MYPDQBLFYIQOIR-CYBMUJFWSA-N 1 2 303.410 2.291 10 0 DEAELO C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C[NH3+])c(Cl)c2)C1 ZINC000164243671 186153440 /nfs/dbraw/zinc/15/34/40/186153440.db2.gz LYHMFIUILXHAML-NXEZZACHSA-N 1 2 302.827 2.218 10 0 DEAELO CCn1ncc(Br)c1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000164242115 186153505 /nfs/dbraw/zinc/15/35/05/186153505.db2.gz RSRRPLBLJKNMLT-RKDXNWHRSA-N 1 2 300.200 2.366 10 0 DEAELO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000179732371 186211810 /nfs/dbraw/zinc/21/18/10/186211810.db2.gz UYMXTWGBIIZVHW-LSDHHAIUSA-N 1 2 320.343 2.172 10 0 DEAELO Cc1n[nH]cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000179732371 186211812 /nfs/dbraw/zinc/21/18/12/186211812.db2.gz UYMXTWGBIIZVHW-LSDHHAIUSA-N 1 2 320.343 2.172 10 0 DEAELO CC[C@H]1[C@@H](CO)CCN1c1nc(C)[nH+]c(C)c1Br ZINC000322794019 539903283 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C[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000173868648 198262338 /nfs/dbraw/zinc/26/23/38/198262338.db2.gz BPQBCZJQOKRUAZ-GRDNDAEWSA-N 1 2 320.408 2.108 10 0 DEAELO CCOCCCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000174593713 198356449 /nfs/dbraw/zinc/35/64/49/198356449.db2.gz JRRVDZQWVIKHKB-LBPRGKRZSA-N 1 2 313.829 2.098 10 0 DEAELO CCOCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000174593713 198356451 /nfs/dbraw/zinc/35/64/51/198356451.db2.gz JRRVDZQWVIKHKB-LBPRGKRZSA-N 1 2 313.829 2.098 10 0 DEAELO CC(C)(C)OC(=O)C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000057624167 354576129 /nfs/dbraw/zinc/57/61/29/354576129.db2.gz NUEQNNCKBFARRM-UHFFFAOYSA-N 1 2 324.465 2.443 10 0 DEAELO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CC[NH+](C3CC3)CC2)c1C ZINC000125954787 355814093 /nfs/dbraw/zinc/81/40/93/355814093.db2.gz RAIGHPBBEHLHQH-CYBMUJFWSA-N 1 2 317.433 2.185 10 0 DEAELO Cc1nnc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)n1C1CC1 ZINC000156561860 355952629 /nfs/dbraw/zinc/95/26/29/355952629.db2.gz 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CCOC(=O)C[N@H+](CCOC1CCOCC1)Cc1ccccc1 ZINC000599283270 359448440 /nfs/dbraw/zinc/44/84/40/359448440.db2.gz SUPWJRDGBPERQR-UHFFFAOYSA-N 1 2 321.417 2.247 10 0 DEAELO CCOC(=O)C[N@@H+](CCOC1CCOCC1)Cc1ccccc1 ZINC000599283270 359448443 /nfs/dbraw/zinc/44/84/43/359448443.db2.gz SUPWJRDGBPERQR-UHFFFAOYSA-N 1 2 321.417 2.247 10 0 DEAELO Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187539173 200125574 /nfs/dbraw/zinc/12/55/74/200125574.db2.gz GVEYBZVXZKWOKK-KRWDZBQOSA-N 1 2 317.364 2.207 10 0 DEAELO Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187539173 200125576 /nfs/dbraw/zinc/12/55/76/200125576.db2.gz GVEYBZVXZKWOKK-KRWDZBQOSA-N 1 2 317.364 2.207 10 0 DEAELO C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000188301394 200224665 /nfs/dbraw/zinc/22/46/65/200224665.db2.gz XOMPNCVTFFXXHQ-SECBINFHSA-N 1 2 320.343 2.167 10 0 DEAELO CC(=O)N[C@H](C(=O)Nc1c[nH+]c2c(C)cccn12)C1CCCC1 ZINC000619011540 363668954 /nfs/dbraw/zinc/66/89/54/363668954.db2.gz 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/nfs/dbraw/zinc/08/10/34/405081034.db2.gz RQYZFLXAIAMJFN-CQSZACIVSA-N 1 2 305.426 2.083 10 0 DEAELO C[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000408084479 405108720 /nfs/dbraw/zinc/10/87/20/405108720.db2.gz QIGPWCOTIFPFBF-XQQFMLRXSA-N 1 2 305.422 2.037 10 0 DEAELO C[C@H]1CCOCC[N@@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000367644267 405111737 /nfs/dbraw/zinc/11/17/37/405111737.db2.gz JUSNLOHGDYUUFK-AWEZNQCLSA-N 1 2 301.390 2.466 10 0 DEAELO C[C@H]1CCOCC[N@H+]1Cc1nc(CCc2ccccc2)no1 ZINC000367644267 405111740 /nfs/dbraw/zinc/11/17/40/405111740.db2.gz JUSNLOHGDYUUFK-AWEZNQCLSA-N 1 2 301.390 2.466 10 0 DEAELO C[C@@H]1CCOCC[N@@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000367654821 405115936 /nfs/dbraw/zinc/11/59/36/405115936.db2.gz CBWJRMLHOSYYSY-CYBMUJFWSA-N 1 2 306.410 2.048 10 0 DEAELO C[C@@H]1CCOCC[N@H+]1CC(=O)Nc1ccnn1C1CCCC1 ZINC000367654821 405115943 /nfs/dbraw/zinc/11/59/43/405115943.db2.gz CBWJRMLHOSYYSY-CYBMUJFWSA-N 1 2 306.410 2.048 10 0 DEAELO CCOc1cccc(C[N@H+](CCO)Cc2ncc(C)cn2)c1 ZINC000452045827 405140190 /nfs/dbraw/zinc/14/01/90/405140190.db2.gz JDRQOOGWCKQLQQ-UHFFFAOYSA-N 1 2 301.390 2.178 10 0 DEAELO CCOc1cccc(C[N@@H+](CCO)Cc2ncc(C)cn2)c1 ZINC000452045827 405140198 /nfs/dbraw/zinc/14/01/98/405140198.db2.gz JDRQOOGWCKQLQQ-UHFFFAOYSA-N 1 2 301.390 2.178 10 0 DEAELO CC(=O)c1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)o1 ZINC000446090406 405372277 /nfs/dbraw/zinc/37/22/77/405372277.db2.gz LEVYNOXZKMGGPO-UHFFFAOYSA-N 1 2 315.251 2.171 10 0 DEAELO Oc1cccc(C[NH+]2CCN(Cc3ccncc3F)CC2)c1 ZINC000449020359 405501556 /nfs/dbraw/zinc/50/15/56/405501556.db2.gz VTDFPDUMQMPJBH-UHFFFAOYSA-N 1 2 301.365 2.244 10 0 DEAELO CO[C@H]1CC[C@@H](NC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000530514234 405817136 /nfs/dbraw/zinc/81/71/36/405817136.db2.gz BEAKSIRWQQHRAD-CABCVRRESA-N 1 2 323.462 2.143 10 0 DEAELO O[C@]1(c2cn[nH]n2)CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000583617451 405775096 /nfs/dbraw/zinc/77/50/96/405775096.db2.gz RDGJLEJVGRIPQM-CQSZACIVSA-N 1 2 310.760 2.081 10 0 DEAELO O[C@]1(c2cn[nH]n2)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000583617451 405775100 /nfs/dbraw/zinc/77/51/00/405775100.db2.gz RDGJLEJVGRIPQM-CQSZACIVSA-N 1 2 310.760 2.081 10 0 DEAELO O[C@]1(c2c[nH]nn2)CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000583617451 405775104 /nfs/dbraw/zinc/77/51/04/405775104.db2.gz RDGJLEJVGRIPQM-CQSZACIVSA-N 1 2 310.760 2.081 10 0 DEAELO O[C@]1(c2c[nH]nn2)CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000583617451 405775109 /nfs/dbraw/zinc/77/51/09/405775109.db2.gz RDGJLEJVGRIPQM-CQSZACIVSA-N 1 2 310.760 2.081 10 0 DEAELO c1nc(C2CC2)ncc1CN1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000459334204 405858452 /nfs/dbraw/zinc/85/84/52/405858452.db2.gz FZQLZHCHDRIOHG-KRWDZBQOSA-N 1 2 316.449 2.041 10 0 DEAELO c1c(C[N@@H+]2CCC[C@@H]2c2cccnc2)nnn1C[C@H]1CCOC1 ZINC000639168256 405942267 /nfs/dbraw/zinc/94/22/67/405942267.db2.gz RPXIUHYZCOEYKD-RHSMWYFYSA-N 1 2 313.405 2.047 10 0 DEAELO c1c(C[N@H+]2CCC[C@@H]2c2cccnc2)nnn1C[C@H]1CCOC1 ZINC000639168256 405942270 /nfs/dbraw/zinc/94/22/70/405942270.db2.gz RPXIUHYZCOEYKD-RHSMWYFYSA-N 1 2 313.405 2.047 10 0 DEAELO c1cc(C[NH+]2CCN(Cc3nc(C4CCC4)no3)CC2)ccn1 ZINC000639550114 406141424 /nfs/dbraw/zinc/14/14/24/406141424.db2.gz YEHNWXCGQIGLMS-UHFFFAOYSA-N 1 2 313.405 2.050 10 0 DEAELO O=C(NCCCC1CCCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000569393228 406248086 /nfs/dbraw/zinc/24/80/86/406248086.db2.gz VZJNTPHSLQVYDC-UHFFFAOYSA-N 1 2 314.389 2.359 10 0 DEAELO c1cn(CCNc2cc(N3CCc4ccccc43)ncn2)c[nH+]1 ZINC000487894969 406270310 /nfs/dbraw/zinc/27/03/10/406270310.db2.gz KSIROLFIAGZLIO-UHFFFAOYSA-N 1 2 306.373 2.479 10 0 DEAELO CC[C@H]1CC[C@H](C)N1C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000570510682 406403349 /nfs/dbraw/zinc/40/33/49/406403349.db2.gz PFFLQMNRHDQHKG-AAEUAGOBSA-N 1 2 300.362 2.062 10 0 DEAELO Cc1cccn2cc(CC(=O)NCCOCC3CCC3)[nH+]c12 ZINC000570562254 406408789 /nfs/dbraw/zinc/40/87/89/406408789.db2.gz BOKLQIVJRZWMIW-UHFFFAOYSA-N 1 2 301.390 2.118 10 0 DEAELO CC[C@@]1(O)CC[N@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000548299651 406497702 /nfs/dbraw/zinc/49/77/02/406497702.db2.gz NSMOEBPCVGCJIA-MRXNPFEDSA-N 1 2 319.430 2.232 10 0 DEAELO CC[C@@]1(O)CC[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)C1 ZINC000548299651 406497707 /nfs/dbraw/zinc/49/77/07/406497707.db2.gz NSMOEBPCVGCJIA-MRXNPFEDSA-N 1 2 319.430 2.232 10 0 DEAELO OCC[C@@H]1CSCC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000525835333 406508629 /nfs/dbraw/zinc/50/86/29/406508629.db2.gz IZWGSFSPFMZOAG-CQSZACIVSA-N 1 2 321.421 2.311 10 0 DEAELO OCC[C@@H]1CSCC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000525835333 406508633 /nfs/dbraw/zinc/50/86/33/406508633.db2.gz IZWGSFSPFMZOAG-CQSZACIVSA-N 1 2 321.421 2.311 10 0 DEAELO c1ccc2c(c1)[nH]c1nc[nH+]c(N3CCO[C@]4(CCOC4)C3)c21 ZINC000570520690 292488637 /nfs/dbraw/zinc/48/86/37/292488637.db2.gz RVJRAMQEOQCIHR-QGZVFWFLSA-N 1 2 310.357 2.107 10 0 DEAELO COC(=O)[C@@]1([NH2+]C(C)C)CC[C@H](Sc2ncns2)C1 ZINC000130522969 196087410 /nfs/dbraw/zinc/08/74/10/196087410.db2.gz UQKPHNCMQMBSTI-JOYOIKCWSA-N 1 2 301.437 2.093 10 0 DEAELO CCOC(=O)[C@@]1([NH2+]C)CCC[C@H](Sc2ncns2)C1 ZINC000130551712 196089649 /nfs/dbraw/zinc/08/96/49/196089649.db2.gz BAFXIJOVJVCSTF-JOYOIKCWSA-N 1 2 301.437 2.094 10 0 DEAELO CC[NH2+][C@@H](CSc1ccc2c(c1)OCCO2)C(=O)OCC ZINC000131446462 196170104 /nfs/dbraw/zinc/17/01/04/196170104.db2.gz NDJHXKXBJFLPDS-LBPRGKRZSA-N 1 2 311.403 2.091 10 0 DEAELO COCCN(c1nc(N)[nH+]cc1Br)[C@@H](C)C1CC1 ZINC000131687125 196190927 /nfs/dbraw/zinc/19/09/27/196190927.db2.gz UPCXGWYQRIUBNR-QMMMGPOBSA-N 1 2 315.215 2.073 10 0 DEAELO C[C@@H]([NH2+][C@H]1C=CS(=O)(=O)C1)c1ccc(Br)o1 ZINC000131734899 196195437 /nfs/dbraw/zinc/19/54/37/196195437.db2.gz BPFMWGIWHSGLMF-SFYZADRCSA-N 1 2 306.181 2.003 10 0 DEAELO C[N@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000132410386 196253369 /nfs/dbraw/zinc/25/33/69/196253369.db2.gz DIGZCYFFPDCVQX-JTQLQIEISA-N 1 2 323.336 2.030 10 0 DEAELO C[N@@H+](Cc1ccc(O)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000132410386 196253371 /nfs/dbraw/zinc/25/33/71/196253371.db2.gz DIGZCYFFPDCVQX-JTQLQIEISA-N 1 2 323.336 2.030 10 0 DEAELO CC[C@H](NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[C@@H]1CCCO1 ZINC000132241101 196237613 /nfs/dbraw/zinc/23/76/13/196237613.db2.gz VGGSWFUVDVPWME-JYJNAYRXSA-N 1 2 319.405 2.202 10 0 DEAELO CCCNc1nc(N(CC)CC(F)(F)F)nc(N(C)C)[nH+]1 ZINC000132530103 196263715 /nfs/dbraw/zinc/26/37/15/196263715.db2.gz FMOBGQWOXWTMPQ-UHFFFAOYSA-N 1 2 306.336 2.148 10 0 DEAELO CCCNc1nc(N(C)C)nc(N(CC)CC(F)(F)F)[nH+]1 ZINC000132530103 196263717 /nfs/dbraw/zinc/26/37/17/196263717.db2.gz FMOBGQWOXWTMPQ-UHFFFAOYSA-N 1 2 306.336 2.148 10 0 DEAELO CCNc1nc[nH+]c(N[C@]2(C)CCS(=O)(=O)C2)c1C(C)C ZINC000133098458 196311582 /nfs/dbraw/zinc/31/15/82/196311582.db2.gz WNGSTBYWVCRHDF-CQSZACIVSA-N 1 2 312.439 2.021 10 0 DEAELO CCNc1nc[nH+]c(N[C@@]2(C)CCS(=O)(=O)C2)c1C(C)C ZINC000133098694 196312014 /nfs/dbraw/zinc/31/20/14/196312014.db2.gz WNGSTBYWVCRHDF-AWEZNQCLSA-N 1 2 312.439 2.021 10 0 DEAELO CCn1cc[nH+]c1[C@@H](NN)c1ccc(Br)c(F)c1 ZINC000133923548 196346389 /nfs/dbraw/zinc/34/63/89/196346389.db2.gz VOTCYVFWVWFXST-NSHDSACASA-N 1 2 313.174 2.357 10 0 DEAELO CC[C@H](CSC)Nc1nc(N2CCCCC2)nc(NC)[nH+]1 ZINC000134268128 196374331 /nfs/dbraw/zinc/37/43/31/196374331.db2.gz SGRMTDPHFUHTTM-LLVKDONJSA-N 1 2 310.471 2.457 10 0 DEAELO CC[C@H](CSC)Nc1nc(NC)[nH+]c(N2CCCCC2)n1 ZINC000134268128 196374334 /nfs/dbraw/zinc/37/43/34/196374334.db2.gz SGRMTDPHFUHTTM-LLVKDONJSA-N 1 2 310.471 2.457 10 0 DEAELO CC[C@H](CSC)Nc1nc(NC)nc(N2CCCCC2)[nH+]1 ZINC000134268128 196374335 /nfs/dbraw/zinc/37/43/35/196374335.db2.gz SGRMTDPHFUHTTM-LLVKDONJSA-N 1 2 310.471 2.457 10 0 DEAELO Cc1ccc(C(=O)NC2CC[NH+](Cc3cocn3)CC2)s1 ZINC000191938015 225119390 /nfs/dbraw/zinc/11/93/90/225119390.db2.gz GKGRIWIMDSJQHH-UHFFFAOYSA-N 1 2 305.403 2.439 10 0 DEAELO Cc1ccc2[nH]c(CNc3nc(N)c4ccccc4[nH+]3)nc2c1 ZINC000535719520 424853769 /nfs/dbraw/zinc/85/37/69/424853769.db2.gz NHKODOAQWFULCJ-UHFFFAOYSA-N 1 2 304.357 2.431 10 0 DEAELO Cc1ccc2nc(CNc3nc(N)c4ccccc4[nH+]3)[nH]c2c1 ZINC000535719520 424853771 /nfs/dbraw/zinc/85/37/71/424853771.db2.gz NHKODOAQWFULCJ-UHFFFAOYSA-N 1 2 304.357 2.431 10 0 DEAELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3nncs3)C2)n1 ZINC000195322842 424882230 /nfs/dbraw/zinc/88/22/30/424882230.db2.gz DDJRPNDQZBHGCW-SNVBAGLBSA-N 1 2 323.447 2.121 10 0 DEAELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3nncs3)C2)n1 ZINC000195322842 424882231 /nfs/dbraw/zinc/88/22/31/424882231.db2.gz DDJRPNDQZBHGCW-SNVBAGLBSA-N 1 2 323.447 2.121 10 0 DEAELO CC(C)c1nc(N[C@H](c2nccn2C)C2CCOCC2)cc[nH+]1 ZINC000582801369 424981233 /nfs/dbraw/zinc/98/12/33/424981233.db2.gz JYPHBJFTSSYLMB-HNNXBMFYSA-N 1 2 315.421 2.913 10 0 DEAELO CCNC(=O)C[N@H+](CC)CC(=O)Nc1c(CC)cccc1CC ZINC000008309345 267356477 /nfs/dbraw/zinc/35/64/77/267356477.db2.gz BUIHVVQQSKHRBS-UHFFFAOYSA-N 1 2 319.449 2.208 10 0 DEAELO CCNC(=O)C[N@@H+](CC)CC(=O)Nc1c(CC)cccc1CC ZINC000008309345 267356478 /nfs/dbraw/zinc/35/64/78/267356478.db2.gz BUIHVVQQSKHRBS-UHFFFAOYSA-N 1 2 319.449 2.208 10 0 DEAELO C[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCCCO3)C[C@H](C(N)=O)O1 ZINC000333263638 268915078 /nfs/dbraw/zinc/91/50/78/268915078.db2.gz GNKQCKBZDSJFNQ-MLGOLLRUSA-N 1 2 320.389 2.363 10 0 DEAELO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCCCO3)C[C@H](C(N)=O)O1 ZINC000333263638 268915079 /nfs/dbraw/zinc/91/50/79/268915079.db2.gz GNKQCKBZDSJFNQ-MLGOLLRUSA-N 1 2 320.389 2.363 10 0 DEAELO CC(=O)c1ccc2c(c1)CCN(c1[nH+]cnc3c1cnn3C)CC2 ZINC000363332246 269051224 /nfs/dbraw/zinc/05/12/24/269051224.db2.gz PQHGFDHJJXWZMD-UHFFFAOYSA-N 1 2 321.384 2.171 10 0 DEAELO CC(C)n1ncc2cc(C[N@@H+]3CC[S@](=O)CC[C@H]3C)cnc21 ZINC000408394315 278149443 /nfs/dbraw/zinc/14/94/43/278149443.db2.gz MJZBYWYZVOLNSC-MCMMXHMISA-N 1 2 320.462 2.355 10 0 DEAELO CC(C)n1ncc2cc(C[N@H+]3CC[S@](=O)CC[C@H]3C)cnc21 ZINC000408394315 278149445 /nfs/dbraw/zinc/14/94/45/278149445.db2.gz MJZBYWYZVOLNSC-MCMMXHMISA-N 1 2 320.462 2.355 10 0 DEAELO C[C@H]1C[C@H](NC(=O)c2cc(-c3cccnc3)on2)c2[nH+]ccn21 ZINC000456395848 278495834 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DEAELO CC[C@H]1C[N@H+](Cc2cc(C(N)=O)cs2)CCN1CC(F)F ZINC000093767282 193303377 /nfs/dbraw/zinc/30/33/77/193303377.db2.gz OKSSRNGDDFTXAT-NSHDSACASA-N 1 2 317.405 2.008 10 0 DEAELO CC[C@H]1C[N@@H+](Cc2cc(C(N)=O)cs2)CCN1CC(F)F ZINC000093767282 193303379 /nfs/dbraw/zinc/30/33/79/193303379.db2.gz OKSSRNGDDFTXAT-NSHDSACASA-N 1 2 317.405 2.008 10 0 DEAELO CCC[NH2+][C@]1(C(=O)OC)CC[C@H](N(CC)CC(F)(F)F)C1 ZINC000093826318 193313252 /nfs/dbraw/zinc/31/32/52/193313252.db2.gz NWDWFNGXHIKYIV-WCQYABFASA-N 1 2 310.360 2.335 10 0 DEAELO CCOC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](Sc2nccn2C)C1 ZINC000093849495 193317113 /nfs/dbraw/zinc/31/71/13/193317113.db2.gz UNOPMHIOJUVGRX-DOMZBBRYSA-N 1 2 311.451 2.365 10 0 DEAELO CCOC(=O)[C@@]1([NH2+]C)CC[C@@H](Sc2nc(C)cc(C)n2)C1 ZINC000093852348 193318741 /nfs/dbraw/zinc/31/87/41/193318741.db2.gz QOJPLNSHZBKYCU-IUODEOHRSA-N 1 2 309.435 2.259 10 0 DEAELO COC(=O)[C@]1([NH2+]C2CC2)CC[C@H](Sc2cc(C)nn2C)C1 ZINC000093852388 193319141 /nfs/dbraw/zinc/31/91/41/193319141.db2.gz WPWCIUOVQGNAMU-WFASDCNBSA-N 1 2 309.435 2.037 10 0 DEAELO CC[N@@H+]1CCO[C@@H](C(=O)Cc2sccc2Br)C1 ZINC000093897839 193324716 /nfs/dbraw/zinc/32/47/16/193324716.db2.gz DZSRIZMTHYWSPJ-LLVKDONJSA-N 1 2 318.236 2.343 10 0 DEAELO CC[N@H+]1CCO[C@@H](C(=O)Cc2sccc2Br)C1 ZINC000093897839 193324717 /nfs/dbraw/zinc/32/47/17/193324717.db2.gz DZSRIZMTHYWSPJ-LLVKDONJSA-N 1 2 318.236 2.343 10 0 DEAELO CS(=O)(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCCc3cc(N)ccc32)C1 ZINC000094637545 193387319 /nfs/dbraw/zinc/38/73/19/193387319.db2.gz WSLWHHSYXPLIDC-HUUCEWRRSA-N 1 2 308.447 2.377 10 0 DEAELO CS(=O)(=O)[C@@H]1CCC[C@@H]([N@H+]2CCCc3cc(N)ccc32)C1 ZINC000094637545 193387320 /nfs/dbraw/zinc/38/73/20/193387320.db2.gz WSLWHHSYXPLIDC-HUUCEWRRSA-N 1 2 308.447 2.377 10 0 DEAELO c1cc(NCc2ccc(N3CCOCC3)[nH+]c2)nc(C2CC2)n1 ZINC000264605537 204024635 /nfs/dbraw/zinc/02/46/35/204024635.db2.gz CXNDLTRXDMKUHI-UHFFFAOYSA-N 1 2 311.389 2.198 10 0 DEAELO COc1ccc(C)cc1NS(=O)(=O)c1ccccc1C[NH3+] ZINC000020008306 182177324 /nfs/dbraw/zinc/17/73/24/182177324.db2.gz XYZURNMKMOJNFF-UHFFFAOYSA-N 1 2 306.387 2.263 10 0 DEAELO Cn1c[nH+]c(CCNC(=O)c2ccsc2Br)c1 ZINC000457870667 248053438 /nfs/dbraw/zinc/05/34/38/248053438.db2.gz MROUBFGFXRNLKQ-UHFFFAOYSA-N 1 2 314.208 2.217 10 0 DEAELO CCCNc1[nH+]cnc2c1cnn2CCNC(=O)C(CC)CC ZINC000038483862 182999747 /nfs/dbraw/zinc/99/97/47/182999747.db2.gz JHOUZXQCTAMFBC-UHFFFAOYSA-N 1 2 318.425 2.201 10 0 DEAELO Cc1ccccc1[C@@H](NC(=O)c1cnccn1)c1[nH+]ccn1C ZINC000041565896 183203794 /nfs/dbraw/zinc/20/37/94/183203794.db2.gz OXZVRNXMSXEKBE-OAHLLOKOSA-N 1 2 307.357 2.038 10 0 DEAELO COc1ccc(OCCNc2[nH+]cnc3c2c(C)nn3C)cc1 ZINC000041471585 183193238 /nfs/dbraw/zinc/19/32/38/183193238.db2.gz BRNJRWGWYUYRAA-UHFFFAOYSA-N 1 2 313.361 2.171 10 0 DEAELO NC(=S)c1cc2c([nH+]c1NC1CCC(O)CC1)CCCC2 ZINC000043410764 183359495 /nfs/dbraw/zinc/35/94/95/183359495.db2.gz ALBOVCGYJPYLSC-UHFFFAOYSA-N 1 2 305.447 2.310 10 0 DEAELO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)[nH]n1 ZINC000284664745 218123658 /nfs/dbraw/zinc/12/36/58/218123658.db2.gz QMBMCLKPRWSOIP-OAHLLOKOSA-N 1 2 313.405 2.308 10 0 DEAELO Cc1cc(C(=O)N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)n[nH]1 ZINC000284664745 218123662 /nfs/dbraw/zinc/12/36/62/218123662.db2.gz QMBMCLKPRWSOIP-OAHLLOKOSA-N 1 2 313.405 2.308 10 0 DEAELO CCCCOc1ccccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105278947 194093207 /nfs/dbraw/zinc/09/32/07/194093207.db2.gz XZTHHEQBRVNSGR-AWEZNQCLSA-N 1 2 321.421 2.318 10 0 DEAELO CCCCOc1ccccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105278947 194093209 /nfs/dbraw/zinc/09/32/09/194093209.db2.gz XZTHHEQBRVNSGR-AWEZNQCLSA-N 1 2 321.421 2.318 10 0 DEAELO O=C(C[NH+]1Cc2ccccc2C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000106302884 194194854 /nfs/dbraw/zinc/19/48/54/194194854.db2.gz NIVRQGCSGROFGE-DLBZAZTESA-N 1 2 300.402 2.172 10 0 DEAELO CC[C@@H]1C[N@H+](Cc2ccc(C(=O)OC)cc2)CCN1CCOC ZINC000106114477 194188040 /nfs/dbraw/zinc/18/80/40/194188040.db2.gz XOFICAFHMVBWKA-QGZVFWFLSA-N 1 2 320.433 2.016 10 0 DEAELO CC[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2)CCN1CCOC ZINC000106114477 194188043 /nfs/dbraw/zinc/18/80/43/194188043.db2.gz XOFICAFHMVBWKA-QGZVFWFLSA-N 1 2 320.433 2.016 10 0 DEAELO O=C(NCCc1cn2ccccc2[nH+]1)[C@@H]1CCc2cccc(O)c21 ZINC000553245123 291737167 /nfs/dbraw/zinc/73/71/67/291737167.db2.gz MRZQFQUWRLOVFR-OAHLLOKOSA-N 1 2 321.380 2.429 10 0 DEAELO O=C(NCc1cnn2ccccc12)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000554267945 291757518 /nfs/dbraw/zinc/75/75/18/291757518.db2.gz JBXNFYDHNCXEAY-UHFFFAOYSA-N 1 2 324.388 2.147 10 0 DEAELO CC[NH2+][C@H](CC)c1cccc(S(=O)(=O)Nc2ncc[nH]2)c1 ZINC000110538502 194337914 /nfs/dbraw/zinc/33/79/14/194337914.db2.gz JVWQRMAJHHTTMU-CYBMUJFWSA-N 1 2 308.407 2.271 10 0 DEAELO CCOC(=O)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000110821595 194360990 /nfs/dbraw/zinc/36/09/90/194360990.db2.gz YMAKLWAPJDNZST-ZDUSSCGKSA-N 1 2 312.207 2.459 10 0 DEAELO CC(C)(C)S(=O)(=O)Nc1nc(-c2ccc(C[NH3+])o2)cs1 ZINC000111072786 194388346 /nfs/dbraw/zinc/38/83/46/194388346.db2.gz NNRYOUQQHOSNDU-UHFFFAOYSA-N 1 2 315.420 2.402 10 0 DEAELO CC(C)n1cc(NS(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)cn1 ZINC000061683961 184182465 /nfs/dbraw/zinc/18/24/65/184182465.db2.gz GCUBXDCFKPLTSM-LLVKDONJSA-N 1 2 308.407 2.285 10 0 DEAELO CC(C)[NH2+][C@@]1(c2nc(C(C)C)cs2)CCS(=O)(=O)C1 ZINC000062963298 184262982 /nfs/dbraw/zinc/26/29/82/184262982.db2.gz HVKOZZQUNFRUDK-ZDUSSCGKSA-N 1 2 302.465 2.278 10 0 DEAELO CCC[NH2+][C@H](c1c(Br)cnn1C)c1ncccn1 ZINC000158816469 197303223 /nfs/dbraw/zinc/30/32/23/197303223.db2.gz SOUWHRIOGNMWOH-SNVBAGLBSA-N 1 2 310.199 2.062 10 0 DEAELO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000119858768 195049662 /nfs/dbraw/zinc/04/96/62/195049662.db2.gz GGSUNPQGJPCUBS-GFCCVEGCSA-N 1 2 321.808 2.190 10 0 DEAELO Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000119858768 195049664 /nfs/dbraw/zinc/04/96/64/195049664.db2.gz GGSUNPQGJPCUBS-GFCCVEGCSA-N 1 2 321.808 2.190 10 0 DEAELO Cc1ccc2[nH+]cc(CN3Cc4ccccc4C[C@H]3C(N)=O)n2c1 ZINC000119876840 195053110 /nfs/dbraw/zinc/05/31/10/195053110.db2.gz QIMVVRONDOHMFN-KRWDZBQOSA-N 1 2 320.396 2.055 10 0 DEAELO C[NH2+][C@H](c1ccco1)c1c(Br)cnn1CCOC ZINC000159265157 197340918 /nfs/dbraw/zinc/34/09/18/197340918.db2.gz VWBCEWWWSXJDKO-LLVKDONJSA-N 1 2 314.183 2.194 10 0 DEAELO CC[NH2+][C@H](c1c(Br)cnn1CC)c1cnccn1 ZINC000158796108 197301938 /nfs/dbraw/zinc/30/19/38/197301938.db2.gz JTGKKPZUIDNHQO-NSHDSACASA-N 1 2 310.199 2.154 10 0 DEAELO Cc1ccc(-c2noc(N3CCN(Cc4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000540906962 285136009 /nfs/dbraw/zinc/13/60/09/285136009.db2.gz KRYJAFGMGVNCKK-UHFFFAOYSA-N 1 2 324.388 2.090 10 0 DEAELO CC[C@@H]1CN(c2nc(NC)[nH+]c(N(CC)CC)n2)CCS1 ZINC000158510860 197279341 /nfs/dbraw/zinc/27/93/41/197279341.db2.gz WNDIBYHVTVTRLE-LLVKDONJSA-N 1 2 310.471 2.091 10 0 DEAELO CC[C@@H]1CN(c2nc(N(CC)CC)nc(NC)[nH+]2)CCS1 ZINC000158510860 197279342 /nfs/dbraw/zinc/27/93/42/197279342.db2.gz WNDIBYHVTVTRLE-LLVKDONJSA-N 1 2 310.471 2.091 10 0 DEAELO O=C(c1cccc(Cl)c1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000157446980 197187926 /nfs/dbraw/zinc/18/79/26/197187926.db2.gz MOQYCBOMCNHNKJ-LLVKDONJSA-N 1 2 312.772 2.026 10 0 DEAELO CCCNc1nc(N2CCS[C@@H](C)[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000157111664 197162917 /nfs/dbraw/zinc/16/29/17/197162917.db2.gz TXONLLDLLZMYDF-QWRGUYRKSA-N 1 2 310.471 2.090 10 0 DEAELO CCCNc1nc(N(C)C)nc(N2CCS[C@@H](C)[C@@H]2C)[nH+]1 ZINC000157111664 197162918 /nfs/dbraw/zinc/16/29/18/197162918.db2.gz TXONLLDLLZMYDF-QWRGUYRKSA-N 1 2 310.471 2.090 10 0 DEAELO COc1ccc2[nH]c(=S)n(CCCCn3cc[nH+]c3)c2n1 ZINC000157044050 197158146 /nfs/dbraw/zinc/15/81/46/197158146.db2.gz WRLBWFSHPLOMIJ-UHFFFAOYSA-N 1 2 303.391 2.406 10 0 DEAELO CCCNc1nnc(C[NH+]2CCC(C(=O)OCC)CC2)s1 ZINC000157025061 197156486 /nfs/dbraw/zinc/15/64/86/197156486.db2.gz ZSZOLSNBBIVMTP-UHFFFAOYSA-N 1 2 312.439 2.135 10 0 DEAELO CCNc1nc(NC[C@@H]2CCC[C@@H]2O)c(Br)c[nH+]1 ZINC000156596124 197126076 /nfs/dbraw/zinc/12/60/76/197126076.db2.gz QGUHNBWZBOGFRI-WPRPVWTQSA-N 1 2 315.215 2.244 10 0 DEAELO CCCNc1nc(NCC2CC(O)C2)c(Br)c[nH+]1 ZINC000156655861 197131376 /nfs/dbraw/zinc/13/13/76/197131376.db2.gz WYBVONQTBVIRSG-UHFFFAOYSA-N 1 2 315.215 2.244 10 0 DEAELO CNc1nc(NCC2(O)CCCCC2)c(Br)c[nH+]1 ZINC000156432085 197112395 /nfs/dbraw/zinc/11/23/95/197112395.db2.gz SMQXUNRFPABUFW-UHFFFAOYSA-N 1 2 315.215 2.388 10 0 DEAELO CNc1nc(N[C@H](COC)C(C)C)c(Br)c[nH+]1 ZINC000156398413 197110359 /nfs/dbraw/zinc/11/03/59/197110359.db2.gz HUCRTSILTCHZFG-SECBINFHSA-N 1 2 303.204 2.364 10 0 DEAELO CCCNc1nc[nH+]c(N[C@@H](C)CS(C)(=O)=O)c1CCC ZINC000156231834 197096856 /nfs/dbraw/zinc/09/68/56/197096856.db2.gz SIAYMVQMQAMZRP-NSHDSACASA-N 1 2 314.455 2.096 10 0 DEAELO C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccc2c(c1)OCO2 ZINC000156077756 197085376 /nfs/dbraw/zinc/08/53/76/197085376.db2.gz VBWXRBCMPMVYJU-DGCLKSJQSA-N 1 2 313.357 2.052 10 0 DEAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Cl)c(F)c1 ZINC000155108256 197022901 /nfs/dbraw/zinc/02/29/01/197022901.db2.gz MKHDWGLEKJGLAG-GFCCVEGCSA-N 1 2 312.772 2.072 10 0 DEAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(Cl)c(F)c1 ZINC000155108256 197022903 /nfs/dbraw/zinc/02/29/03/197022903.db2.gz MKHDWGLEKJGLAG-GFCCVEGCSA-N 1 2 312.772 2.072 10 0 DEAELO Cc1oc(C(C)C)cc1-c1nc([C@@H]2C[NH+]3CCN2CC3)no1 ZINC000289891251 221295187 /nfs/dbraw/zinc/29/51/87/221295187.db2.gz WAXWQXVAIVXLQZ-ZDUSSCGKSA-N 1 2 302.378 2.434 10 0 DEAELO CC(C)[N@@H+]1C[C@H]2C[NH+](Cc3nccs3)CCC[C@@]2(C(=O)[O-])C1 ZINC000248141478 257108090 /nfs/dbraw/zinc/10/80/90/257108090.db2.gz CAXVTDKKZCOCMI-CZUORRHYSA-N 1 2 323.462 2.150 10 0 DEAELO CC(C)[N@H+]1C[C@H]2C[NH+](Cc3nccs3)CCC[C@@]2(C(=O)[O-])C1 ZINC000248141478 257108092 /nfs/dbraw/zinc/10/80/92/257108092.db2.gz CAXVTDKKZCOCMI-CZUORRHYSA-N 1 2 323.462 2.150 10 0 DEAELO CC(C)[NH+]1C[C@H]2C[N@H+](Cc3nccs3)CCC[C@@]2(C(=O)[O-])C1 ZINC000248141478 257108093 /nfs/dbraw/zinc/10/80/93/257108093.db2.gz CAXVTDKKZCOCMI-CZUORRHYSA-N 1 2 323.462 2.150 10 0 DEAELO CC(C)[NH+]1C[C@H]2C[N@@H+](Cc3nccs3)CCC[C@@]2(C(=O)[O-])C1 ZINC000248141478 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O=C(c1ccc(O)c(Cl)c1)N1CC[NH+](CCCF)CC1 ZINC000402854206 405066803 /nfs/dbraw/zinc/06/68/03/405066803.db2.gz REPPFNDDHSFARB-UHFFFAOYSA-N 1 2 300.761 2.163 10 0 DEAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@H+](C)C[C@@H]2C)c1C(C)C ZINC000407979041 405082079 /nfs/dbraw/zinc/08/20/79/405082079.db2.gz NVCKFEMJWQVCRH-NSHDSACASA-N 1 2 305.422 2.425 10 0 DEAELO CC(=O)c1c(C)[nH]c(C(=O)N2CC[N@@H+](C)C[C@@H]2C)c1C(C)C ZINC000407979041 405082084 /nfs/dbraw/zinc/08/20/84/405082084.db2.gz NVCKFEMJWQVCRH-NSHDSACASA-N 1 2 305.422 2.425 10 0 DEAELO Cc1cc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c(C)o1 ZINC000408020210 405090131 /nfs/dbraw/zinc/09/01/31/405090131.db2.gz CFKNJRPDCHVVAG-APHBMKBZSA-N 1 2 321.421 2.072 10 0 DEAELO Cc1cc([C@H](C)NC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c(C)o1 ZINC000408020210 405090132 /nfs/dbraw/zinc/09/01/32/405090132.db2.gz CFKNJRPDCHVVAG-APHBMKBZSA-N 1 2 321.421 2.072 10 0 DEAELO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc(Cl)c1O ZINC000408169251 405129500 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C[C@H]1C[C@@H](NC(=O)c2cc(F)c(O)c(Cl)c2)CC[N@@H+]1C ZINC000408412369 405200224 /nfs/dbraw/zinc/20/02/24/405200224.db2.gz AKJCRMUNVCYCKC-WPRPVWTQSA-N 1 2 300.761 2.397 10 0 DEAELO C[C@H]1C[C@@H](NC(=O)c2cc(F)c(O)c(Cl)c2)CC[N@H+]1C ZINC000408412369 405200232 /nfs/dbraw/zinc/20/02/32/405200232.db2.gz AKJCRMUNVCYCKC-WPRPVWTQSA-N 1 2 300.761 2.397 10 0 DEAELO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(O)c(Cl)c2)CC[N@@H+]1C ZINC000408412366 405200979 /nfs/dbraw/zinc/20/09/79/405200979.db2.gz AKJCRMUNVCYCKC-PSASIEDQSA-N 1 2 300.761 2.397 10 0 DEAELO C[C@@H]1C[C@H](NC(=O)c2cc(F)c(O)c(Cl)c2)CC[N@H+]1C ZINC000408412366 405200984 /nfs/dbraw/zinc/20/09/84/405200984.db2.gz AKJCRMUNVCYCKC-PSASIEDQSA-N 1 2 300.761 2.397 10 0 DEAELO COCc1n[nH]c([C@@H]2CCCCN2c2cc(C)[nH+]c(C)n2)n1 ZINC000408469813 405214976 /nfs/dbraw/zinc/21/49/76/405214976.db2.gz STBTYVGSJJQKCG-LBPRGKRZSA-N 1 2 302.382 2.090 10 0 DEAELO COCc1nc([C@@H]2CCCCN2c2cc(C)[nH+]c(C)n2)n[nH]1 ZINC000408469813 405214978 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CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(Cl)n2)C1 ZINC000095082953 402024449 /nfs/dbraw/zinc/02/44/49/402024449.db2.gz UCILZBCEORRTRT-LLVKDONJSA-N 1 2 312.801 2.229 10 0 DEAELO CC(C)c1nc(C2([NH2+]C[C@H](O)C(F)(F)F)CCCC2)no1 ZINC000121392023 402032571 /nfs/dbraw/zinc/03/25/71/402032571.db2.gz VPQCMSTZWWHGSR-VIFPVBQESA-N 1 2 307.316 2.475 10 0 DEAELO CC(C)CCN1CC[NH+]([C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000095992444 402044347 /nfs/dbraw/zinc/04/43/47/402044347.db2.gz YKYVMSBWEJSVHG-JKSUJKDBSA-N 1 2 316.511 2.006 10 0 DEAELO O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1[nH]nc2ccccc21 ZINC000054628220 402069850 /nfs/dbraw/zinc/06/98/50/402069850.db2.gz UVRWGZDYRRDFID-UHFFFAOYSA-N 1 2 318.340 2.074 10 0 DEAELO O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccc(-n2cc[nH+]c2)nc1 ZINC000152220980 402082607 /nfs/dbraw/zinc/08/26/07/402082607.db2.gz TUXSISQYAHDUTD-CGTJXYLNSA-N 1 2 316.364 2.335 10 0 DEAELO C[C@H](CNC(=O)[C@@H](c1ccccc1)C1CC1)[NH+]1CCOCC1 ZINC000122833488 402096956 /nfs/dbraw/zinc/09/69/56/402096956.db2.gz UYNVTVBZXJVNFF-PBHICJAKSA-N 1 2 302.418 2.017 10 0 DEAELO Cc1cc(C)n(Cc2ccc(C(=O)NCCn3cc[nH+]c3)cc2)n1 ZINC000061132264 402106854 /nfs/dbraw/zinc/10/68/54/402106854.db2.gz UXEVPUQJTBBIFY-UHFFFAOYSA-N 1 2 323.400 2.175 10 0 DEAELO CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)CCN1CC(F)F ZINC000153370962 402141666 /nfs/dbraw/zinc/14/16/66/402141666.db2.gz DTYJXFYXUIGUNC-QWHCGFSZSA-N 1 2 319.440 2.341 10 0 DEAELO CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)CCN1CC(F)F ZINC000153370962 402141667 /nfs/dbraw/zinc/14/16/67/402141667.db2.gz DTYJXFYXUIGUNC-QWHCGFSZSA-N 1 2 319.440 2.341 10 0 DEAELO CC(C)(C)OC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000067227724 402154870 /nfs/dbraw/zinc/15/48/70/402154870.db2.gz XIRBGUHUYUHDAT-BBRMVZONSA-N 1 2 311.397 2.375 10 0 DEAELO CC(C)(C)OC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000067227724 402154871 /nfs/dbraw/zinc/15/48/71/402154871.db2.gz XIRBGUHUYUHDAT-BBRMVZONSA-N 1 2 311.397 2.375 10 0 DEAELO COCCc1noc(C[NH+]2CCC(c3nc(C)cs3)CC2)n1 ZINC000103472841 402190837 /nfs/dbraw/zinc/19/08/37/402190837.db2.gz OSOZPJWHVSVRBY-UHFFFAOYSA-N 1 2 322.434 2.403 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000124851477 402200611 /nfs/dbraw/zinc/20/06/11/402200611.db2.gz OYBUARMYSGDDHQ-LSDHHAIUSA-N 1 2 320.437 2.296 10 0 DEAELO CC(=O)CCC(C)(C)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154509574 402215670 /nfs/dbraw/zinc/21/56/70/402215670.db2.gz WPKMBILRCAQKPK-OAHLLOKOSA-N 1 2 304.390 2.457 10 0 DEAELO Cc1csc(=O)n1CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125178579 402217578 /nfs/dbraw/zinc/21/75/78/402217578.db2.gz QTCIGVGBDKMDNE-CYBMUJFWSA-N 1 2 310.444 2.353 10 0 DEAELO Cc1csc(=O)n1CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125178579 402217581 /nfs/dbraw/zinc/21/75/81/402217581.db2.gz QTCIGVGBDKMDNE-CYBMUJFWSA-N 1 2 310.444 2.353 10 0 DEAELO CC(C)[C@@H](O)CC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000154775978 402230987 /nfs/dbraw/zinc/23/09/87/402230987.db2.gz CMIWXVXJPHCWSY-GOEBONIOSA-N 1 2 319.380 2.172 10 0 DEAELO CC(=O)c1c(F)cccc1N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000108952225 402265032 /nfs/dbraw/zinc/26/50/32/402265032.db2.gz BPUVDGUXNCWHCH-UHFFFAOYSA-N 1 2 316.380 2.084 10 0 DEAELO CCc1cc(N[C@H]2CCc3ncnn3C2)nc(-c2ccncc2)[nH+]1 ZINC000109320551 402271182 /nfs/dbraw/zinc/27/11/82/402271182.db2.gz OGLNKHJOFWVCQD-AWEZNQCLSA-N 1 2 321.388 2.119 10 0 DEAELO COC(=O)c1coc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1 ZINC000184696749 402292497 /nfs/dbraw/zinc/29/24/97/402292497.db2.gz WYYWOPKXESCUMA-UHFFFAOYSA-N 1 2 314.341 2.158 10 0 DEAELO COC(=O)c1coc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1 ZINC000184696749 402292500 /nfs/dbraw/zinc/29/25/00/402292500.db2.gz WYYWOPKXESCUMA-UHFFFAOYSA-N 1 2 314.341 2.158 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)CCc1nnc(C(C)C)o1 ZINC000176898552 402348214 /nfs/dbraw/zinc/34/82/14/402348214.db2.gz QBEMEWKLHISORD-UHFFFAOYSA-N 1 2 319.409 2.295 10 0 DEAELO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000185492730 402356462 /nfs/dbraw/zinc/35/64/62/402356462.db2.gz AMZCXHVGPDYZAL-SNVBAGLBSA-N 1 2 320.817 2.242 10 0 DEAELO CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2Cl)C1 ZINC000185492730 402356463 /nfs/dbraw/zinc/35/64/63/402356463.db2.gz AMZCXHVGPDYZAL-SNVBAGLBSA-N 1 2 320.817 2.242 10 0 DEAELO CCN(C(=O)[C@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1)C1CCCCC1 ZINC000185142209 402328018 /nfs/dbraw/zinc/32/80/18/402328018.db2.gz GNFYRHRZRJBWRI-MAUKXSAKSA-N 1 2 324.465 2.047 10 0 DEAELO CCN(C(=O)[C@H](C)[N@H+]1CCO[C@]2(CCOC2)C1)C1CCCCC1 ZINC000185142209 402328020 /nfs/dbraw/zinc/32/80/20/402328020.db2.gz GNFYRHRZRJBWRI-MAUKXSAKSA-N 1 2 324.465 2.047 10 0 DEAELO CN(C)c1[nH+]cccc1N(C)C(=O)CSC[C@H]1CCCCO1 ZINC000176799963 402338380 /nfs/dbraw/zinc/33/83/80/402338380.db2.gz ZWWDMIMMXMBVIZ-CYBMUJFWSA-N 1 2 323.462 2.413 10 0 DEAELO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1nccs1 ZINC000177501730 402409962 /nfs/dbraw/zinc/40/99/62/402409962.db2.gz HIRUXOQFYQOXEM-NWDGAFQWSA-N 1 2 305.407 2.275 10 0 DEAELO CCn1c(C)nnc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177600241 402419497 /nfs/dbraw/zinc/41/94/97/402419497.db2.gz HYEHQERIZSWPKX-INIZCTEOSA-N 1 2 322.453 2.157 10 0 DEAELO O=C(c1cc(Cl)ccn1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186402083 402428631 /nfs/dbraw/zinc/42/86/31/402428631.db2.gz URYXZWKCUBSWNJ-UHFFFAOYSA-N 1 2 316.792 2.483 10 0 DEAELO C[C@H](CC1CC1)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186480063 402434550 /nfs/dbraw/zinc/43/45/50/402434550.db2.gz QEHUZYRHUILXMJ-CQSZACIVSA-N 1 2 302.422 2.492 10 0 DEAELO C[C@@]1(C(N)=O)CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000185918926 402389393 /nfs/dbraw/zinc/38/93/93/402389393.db2.gz MMJBCVPUIUKAMN-INIZCTEOSA-N 1 2 318.352 2.106 10 0 DEAELO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000185918926 402389397 /nfs/dbraw/zinc/38/93/97/402389397.db2.gz MMJBCVPUIUKAMN-INIZCTEOSA-N 1 2 318.352 2.106 10 0 DEAELO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000178069219 402457193 /nfs/dbraw/zinc/45/71/93/402457193.db2.gz YNYQYTZNUCGBON-MELADBBJSA-N 1 2 315.421 2.221 10 0 DEAELO C[C@@H]1CCCC[C@H]1OCCNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000245427646 402459744 /nfs/dbraw/zinc/45/97/44/402459744.db2.gz WESBRKATUPPOLT-QLFBSQMISA-N 1 2 305.422 2.472 10 0 DEAELO CCCn1cc(C[N@@H+]2CCN(CC(F)F)[C@@H](CC)C2)cn1 ZINC000245691966 402479729 /nfs/dbraw/zinc/47/97/29/402479729.db2.gz BNEZKVRUUBGTTJ-AWEZNQCLSA-N 1 2 300.397 2.454 10 0 DEAELO CCCn1cc(C[N@H+]2CCN(CC(F)F)[C@@H](CC)C2)cn1 ZINC000245691966 402479733 /nfs/dbraw/zinc/47/97/33/402479733.db2.gz BNEZKVRUUBGTTJ-AWEZNQCLSA-N 1 2 300.397 2.454 10 0 DEAELO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH]n1 ZINC000245722352 402482173 /nfs/dbraw/zinc/48/21/73/402482173.db2.gz WJQIXXQFHRMBRF-HIFRSBDPSA-N 1 2 320.343 2.172 10 0 DEAELO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)[nH]n1 ZINC000245722352 402482174 /nfs/dbraw/zinc/48/21/74/402482174.db2.gz WJQIXXQFHRMBRF-HIFRSBDPSA-N 1 2 320.343 2.172 10 0 DEAELO COCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245733274 402484274 /nfs/dbraw/zinc/48/42/74/402484274.db2.gz ZIZCZMSGOUERKN-GDBMZVCRSA-N 1 2 312.360 2.253 10 0 DEAELO COCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245733274 402484276 /nfs/dbraw/zinc/48/42/76/402484276.db2.gz ZIZCZMSGOUERKN-GDBMZVCRSA-N 1 2 312.360 2.253 10 0 DEAELO Cc1ccc([C@H](CNC(=O)NCC2CC2)[NH+]2CCOCC2)s1 ZINC000178498583 402504893 /nfs/dbraw/zinc/50/48/93/402504893.db2.gz AZUUZVNDVQTPKM-AWEZNQCLSA-N 1 2 323.462 2.139 10 0 DEAELO CC(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000170924763 402542014 /nfs/dbraw/zinc/54/20/14/402542014.db2.gz IGTGNBCCWJAVRQ-QGZVFWFLSA-N 1 2 319.449 2.282 10 0 DEAELO CC(C)c1ccc(CN(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000170924763 402542015 /nfs/dbraw/zinc/54/20/15/402542015.db2.gz IGTGNBCCWJAVRQ-QGZVFWFLSA-N 1 2 319.449 2.282 10 0 DEAELO CCc1nnc(C[N@H+](Cc2ccccc2)C[C@@H](O)CC)n1C ZINC000179101389 402572567 /nfs/dbraw/zinc/57/25/67/402572567.db2.gz AMHXDOSVEBMOQN-HNNXBMFYSA-N 1 2 302.422 2.151 10 0 DEAELO CCc1nnc(C[N@@H+](Cc2ccccc2)C[C@@H](O)CC)n1C ZINC000179101389 402572568 /nfs/dbraw/zinc/57/25/68/402572568.db2.gz AMHXDOSVEBMOQN-HNNXBMFYSA-N 1 2 302.422 2.151 10 0 DEAELO CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCc2cn[nH]c2C)[C@@H](C)C1 ZINC000246212131 402518512 /nfs/dbraw/zinc/51/85/12/402518512.db2.gz ANPBPHMCPOKDRK-BBRMVZONSA-N 1 2 321.469 2.022 10 0 DEAELO CC[N@H+]1CC[C@H](N(C)C(=O)NCCCc2cn[nH]c2C)[C@@H](C)C1 ZINC000246212131 402518513 /nfs/dbraw/zinc/51/85/13/402518513.db2.gz ANPBPHMCPOKDRK-BBRMVZONSA-N 1 2 321.469 2.022 10 0 DEAELO C[C@@H](COCc1ccccc1)Nc1[nH+]cnc(-n2cccn2)c1N ZINC000178631670 402519572 /nfs/dbraw/zinc/51/95/72/402519572.db2.gz YKPDUDRKPUKFDW-ZDUSSCGKSA-N 1 2 324.388 2.262 10 0 DEAELO CCC[C@H](C)NC(=O)[C@@H](C)[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000246341005 402525921 /nfs/dbraw/zinc/52/59/21/402525921.db2.gz FGQNUQMSTDSVEL-OSRJUQGESA-N 1 2 313.467 2.406 10 0 DEAELO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3nc(C(C)C)no3)C2)n1 ZINC000171604127 402600106 /nfs/dbraw/zinc/60/01/06/402600106.db2.gz NUQSXLJLOUQFDW-CQSZACIVSA-N 1 2 318.425 2.314 10 0 DEAELO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3nc(C(C)C)no3)C2)n1 ZINC000171604127 402600108 /nfs/dbraw/zinc/60/01/08/402600108.db2.gz NUQSXLJLOUQFDW-CQSZACIVSA-N 1 2 318.425 2.314 10 0 DEAELO CCN(CC)C(=O)[C@H]1CCCN1C(=O)Nc1cc[nH+]c(C)c1 ZINC000179796868 402600779 /nfs/dbraw/zinc/60/07/79/402600779.db2.gz POHXDRCBLRKONA-CQSZACIVSA-N 1 2 304.394 2.255 10 0 DEAELO CCn1cnnc1C1CC[NH+](Cc2nc(C(C)C)no2)CC1 ZINC000171644601 402605294 /nfs/dbraw/zinc/60/52/94/402605294.db2.gz YCICKYJDBRJVJP-UHFFFAOYSA-N 1 2 304.398 2.184 10 0 DEAELO Cc1ccc(C(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1O ZINC000180657422 402622603 /nfs/dbraw/zinc/62/26/03/402622603.db2.gz DMSNORQWAZHBRI-UHFFFAOYSA-N 1 2 311.385 2.494 10 0 DEAELO Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1O ZINC000180769569 402625739 /nfs/dbraw/zinc/62/57/39/402625739.db2.gz FGDMHGUHIPSZRT-INIZCTEOSA-N 1 2 318.417 2.028 10 0 DEAELO C[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1ccc(F)c(F)c1 ZINC000191025041 402637173 /nfs/dbraw/zinc/63/71/73/402637173.db2.gz FADBUHLDQFEAEN-SSDOTTSWSA-N 1 2 321.253 2.364 10 0 DEAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(F)cn2)C1 ZINC000181863189 402658960 /nfs/dbraw/zinc/65/89/60/402658960.db2.gz VZYQPSHIBNTICH-LBPRGKRZSA-N 1 2 317.368 2.441 10 0 DEAELO Cn1cc[nH+]c1-c1cccc(NC(=O)N[C@@H]2CCCOC2)c1 ZINC000172415013 402655118 /nfs/dbraw/zinc/65/51/18/402655118.db2.gz VCXRAVVHPOWLNF-CQSZACIVSA-N 1 2 300.362 2.388 10 0 DEAELO Cc1cc(F)ccc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173778497 402712375 /nfs/dbraw/zinc/71/23/75/402712375.db2.gz UOVAHHDOEZIQQS-CQSZACIVSA-N 1 2 307.369 2.073 10 0 DEAELO C[C@@H]1CN(C(=O)c2ccccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000173812534 402714264 /nfs/dbraw/zinc/71/42/64/402714264.db2.gz TXVSJDCBBCLBAQ-DOMZBBRYSA-N 1 2 308.809 2.133 10 0 DEAELO C[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccccc1F ZINC000173833051 402714709 /nfs/dbraw/zinc/71/47/09/402714709.db2.gz ZADIQGPOAPWBPK-ZQIUZPCESA-N 1 2 320.408 2.108 10 0 DEAELO CCC(CC)c1cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)on1 ZINC000172751877 402673637 /nfs/dbraw/zinc/67/36/37/402673637.db2.gz APWHGVHHMBAEDB-CQSZACIVSA-N 1 2 321.421 2.125 10 0 DEAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc2c1OCO2 ZINC000191677127 402686075 /nfs/dbraw/zinc/68/60/75/402686075.db2.gz HJFKEVUNNAIJDZ-ZLDLUXBVSA-N 1 2 303.358 2.189 10 0 DEAELO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cccc2c1OCO2 ZINC000191677127 402686079 /nfs/dbraw/zinc/68/60/79/402686079.db2.gz HJFKEVUNNAIJDZ-ZLDLUXBVSA-N 1 2 303.358 2.189 10 0 DEAELO CCn1cc([C@@H]2C[N@H+](Cc3cnn(C(C)(C)C)c3)CCO2)cn1 ZINC000191712275 402687946 /nfs/dbraw/zinc/68/79/46/402687946.db2.gz YIRXYMSIXBDIIP-INIZCTEOSA-N 1 2 317.437 2.428 10 0 DEAELO CCn1cc([C@@H]2C[N@@H+](Cc3cnn(C(C)(C)C)c3)CCO2)cn1 ZINC000191712275 402687948 /nfs/dbraw/zinc/68/79/48/402687948.db2.gz YIRXYMSIXBDIIP-INIZCTEOSA-N 1 2 317.437 2.428 10 0 DEAELO COCC[NH+](CCOC)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000173468590 402699159 /nfs/dbraw/zinc/69/91/59/402699159.db2.gz 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/nfs/dbraw/zinc/41/95/24/402419524.db2.gz HYEHQERIZSWPKX-MRXNPFEDSA-N 1 2 322.453 2.157 10 0 DEAELO Cc1cc(S(=O)(=O)NCc2ccn3cc[nH+]c3c2)c(C)s1 ZINC000177727685 402430528 /nfs/dbraw/zinc/43/05/28/402430528.db2.gz ROLWVJRBBHCVSC-UHFFFAOYSA-N 1 2 321.427 2.491 10 0 DEAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000185955069 402393132 /nfs/dbraw/zinc/39/31/32/402393132.db2.gz PGLFEBBRHCNGBR-CQSZACIVSA-N 1 2 306.391 2.028 10 0 DEAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000185955069 402393134 /nfs/dbraw/zinc/39/31/34/402393134.db2.gz PGLFEBBRHCNGBR-CQSZACIVSA-N 1 2 306.391 2.028 10 0 DEAELO CC[N@H+](CC(=O)[O-])C1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000186689030 402455907 /nfs/dbraw/zinc/45/59/07/402455907.db2.gz SELRJEMOHKVQEO-UHFFFAOYSA-N 1 2 324.396 2.075 10 0 DEAELO CC[N@@H+](CC(=O)[O-])C1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000186689030 402455910 /nfs/dbraw/zinc/45/59/10/402455910.db2.gz SELRJEMOHKVQEO-UHFFFAOYSA-N 1 2 324.396 2.075 10 0 DEAELO O=S(=O)(/C=C/c1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245422180 402458671 /nfs/dbraw/zinc/45/86/71/402458671.db2.gz PEFLUHWEAFGQDH-RCLKMUNOSA-N 1 2 324.421 2.296 10 0 DEAELO O=S(=O)(/C=C/c1ccc(F)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245422180 402458672 /nfs/dbraw/zinc/45/86/72/402458672.db2.gz PEFLUHWEAFGQDH-RCLKMUNOSA-N 1 2 324.421 2.296 10 0 DEAELO c1nc(N2CCOCC2)sc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245541425 402469380 /nfs/dbraw/zinc/46/93/80/402469380.db2.gz OFEGGGJKMIWRKH-CABCVRRESA-N 1 2 323.462 2.123 10 0 DEAELO c1nc(N2CCOCC2)sc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245541425 402469382 /nfs/dbraw/zinc/46/93/82/402469382.db2.gz OFEGGGJKMIWRKH-CABCVRRESA-N 1 2 323.462 2.123 10 0 DEAELO Cc1cc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)n[nH]1 ZINC000187262350 402490422 /nfs/dbraw/zinc/49/04/22/402490422.db2.gz FYCWVLRRMLJNPN-OAHLLOKOSA-N 1 2 320.824 2.227 10 0 DEAELO C[C@@H]1CN(C(=O)[C@@H]2CCCC(C)(C)C2)C[C@H]1[NH+]1CCOCC1 ZINC000178970402 402560475 /nfs/dbraw/zinc/56/04/75/402560475.db2.gz BFLWHJCFCDPCFW-BZUAXINKSA-N 1 2 308.466 2.382 10 0 DEAELO O=C(c1ccc2[nH+]ccn2c1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000178610974 402517188 /nfs/dbraw/zinc/51/71/88/402517188.db2.gz VHXWALWDBPNBTO-MRXNPFEDSA-N 1 2 323.352 2.254 10 0 DEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(C(N)=O)cs1 ZINC000246245531 402519828 /nfs/dbraw/zinc/51/98/28/402519828.db2.gz UKDPMUMTJGYVMC-HONMWMINSA-N 1 2 322.430 2.153 10 0 DEAELO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C(N)=O)cs1 ZINC000246245531 402519832 /nfs/dbraw/zinc/51/98/32/402519832.db2.gz UKDPMUMTJGYVMC-HONMWMINSA-N 1 2 322.430 2.153 10 0 DEAELO c1csc([C@H]2CN(Cc3cn4ccccc4[nH+]3)CCO2)n1 ZINC000170836457 402531312 /nfs/dbraw/zinc/53/13/12/402531312.db2.gz OSDMSMZJPHFOFB-CYBMUJFWSA-N 1 2 300.387 2.364 10 0 DEAELO O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H](c1ncc[nH]1)c1ccncc1 ZINC000189125438 402531331 /nfs/dbraw/zinc/53/13/31/402531331.db2.gz FHIUYIBFPCUGQC-YESZJQIVSA-N 1 2 306.369 2.142 10 0 DEAELO COCc1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190149876 402579362 /nfs/dbraw/zinc/57/93/62/402579362.db2.gz JXLNUELCNWGDSR-HZPDHXFCSA-N 1 2 317.389 2.486 10 0 DEAELO COCc1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190149876 402579364 /nfs/dbraw/zinc/57/93/64/402579364.db2.gz JXLNUELCNWGDSR-HZPDHXFCSA-N 1 2 317.389 2.486 10 0 DEAELO CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)COC)CC2)cc1 ZINC000171523874 402591090 /nfs/dbraw/zinc/59/10/90/402591090.db2.gz WXKMCGWJHOQERB-OAHLLOKOSA-N 1 2 320.433 2.012 10 0 DEAELO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000248524406 402594382 /nfs/dbraw/zinc/59/43/82/402594382.db2.gz TUVRLDZVFGHWCE-GZMMTYOYSA-N 1 2 316.323 2.268 10 0 DEAELO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000248524406 402594384 /nfs/dbraw/zinc/59/43/84/402594384.db2.gz TUVRLDZVFGHWCE-GZMMTYOYSA-N 1 2 316.323 2.268 10 0 DEAELO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C(C)(C)OC)CC2)c1 ZINC000171604931 402600867 /nfs/dbraw/zinc/60/08/67/402600867.db2.gz NAAROOVENXMIKY-CQSZACIVSA-N 1 2 320.433 2.325 10 0 DEAELO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)n1C ZINC000171612885 402601322 /nfs/dbraw/zinc/60/13/22/402601322.db2.gz YMGBLDYFDHDGQY-CYBMUJFWSA-N 1 2 302.426 2.065 10 0 DEAELO CCc1nnc(C[N@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)n1C ZINC000171612885 402601326 /nfs/dbraw/zinc/60/13/26/402601326.db2.gz YMGBLDYFDHDGQY-CYBMUJFWSA-N 1 2 302.426 2.065 10 0 DEAELO c1ncn([C@@H]2CCC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)n1 ZINC000171615595 402602199 /nfs/dbraw/zinc/60/21/99/402602199.db2.gz FVGVSAULVINCEH-CQSZACIVSA-N 1 2 310.361 2.165 10 0 DEAELO c1ncn([C@@H]2CCC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)n1 ZINC000171615595 402602201 /nfs/dbraw/zinc/60/22/01/402602201.db2.gz FVGVSAULVINCEH-CQSZACIVSA-N 1 2 310.361 2.165 10 0 DEAELO O=C(Nc1cnc(C2CC2)nc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180466404 402617448 /nfs/dbraw/zinc/61/74/48/402617448.db2.gz PGJGERFZOHGCRQ-CQSZACIVSA-N 1 2 312.377 2.247 10 0 DEAELO Cc1noc([C@@H]2CCC[N@@H+](Cc3nnc(C4CCC4)n3C)C2)n1 ZINC000181136849 402636492 /nfs/dbraw/zinc/63/64/92/402636492.db2.gz JWFILQSCYJKJQO-CYBMUJFWSA-N 1 2 316.409 2.154 10 0 DEAELO Cc1noc([C@@H]2CCC[N@H+](Cc3nnc(C4CCC4)n3C)C2)n1 ZINC000181136849 402636495 /nfs/dbraw/zinc/63/64/95/402636495.db2.gz JWFILQSCYJKJQO-CYBMUJFWSA-N 1 2 316.409 2.154 10 0 DEAELO C[C@@H]1CCc2sc(C(=O)N3CC[N@H+](CCO)[C@@H](C)C3)cc2C1 ZINC000250107025 402645069 /nfs/dbraw/zinc/64/50/69/402645069.db2.gz SEXVBYDXMGEYES-OLZOCXBDSA-N 1 2 322.474 2.012 10 0 DEAELO C[C@@H]1CCc2sc(C(=O)N3CC[N@@H+](CCO)[C@@H](C)C3)cc2C1 ZINC000250107025 402645071 /nfs/dbraw/zinc/64/50/71/402645071.db2.gz SEXVBYDXMGEYES-OLZOCXBDSA-N 1 2 322.474 2.012 10 0 DEAELO CC(C)n1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)n1 ZINC000172332462 402650597 /nfs/dbraw/zinc/65/05/97/402650597.db2.gz XIQIWTCSGHMLCA-UHFFFAOYSA-N 1 2 300.406 2.492 10 0 DEAELO Cc1ccccc1C(C)(C)C(=O)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000172354086 402652040 /nfs/dbraw/zinc/65/20/40/402652040.db2.gz PGUJOOSWJLLHTA-INIZCTEOSA-N 1 2 316.445 2.252 10 0 DEAELO Cc1ccccc1C(C)(C)C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000172354086 402652044 /nfs/dbraw/zinc/65/20/44/402652044.db2.gz PGUJOOSWJLLHTA-INIZCTEOSA-N 1 2 316.445 2.252 10 0 DEAELO Cc1nnc([C@@H]2C[N@H+](CCSc3ccc(F)cc3)CCO2)[nH]1 ZINC000173759839 402711265 /nfs/dbraw/zinc/71/12/65/402711265.db2.gz ZNKSAHSZNWAEOX-AWEZNQCLSA-N 1 2 322.409 2.418 10 0 DEAELO Cc1nnc([C@@H]2C[N@@H+](CCSc3ccc(F)cc3)CCO2)[nH]1 ZINC000173759839 402711268 /nfs/dbraw/zinc/71/12/68/402711268.db2.gz ZNKSAHSZNWAEOX-AWEZNQCLSA-N 1 2 322.409 2.418 10 0 DEAELO CCc1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1CC ZINC000182732422 402712161 /nfs/dbraw/zinc/71/21/61/402712161.db2.gz FAWFXCUYUAMLBL-MRXNPFEDSA-N 1 2 305.422 2.264 10 0 DEAELO CCc1ccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1CC ZINC000182732422 402712164 /nfs/dbraw/zinc/71/21/64/402712164.db2.gz FAWFXCUYUAMLBL-MRXNPFEDSA-N 1 2 305.422 2.264 10 0 DEAELO CS[C@@H](C(=O)NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1 ZINC000172551129 402662374 /nfs/dbraw/zinc/66/23/74/402662374.db2.gz CVLZLLPSNNAIRC-HZPDHXFCSA-N 1 2 320.458 2.070 10 0 DEAELO CS[C@@H](C(=O)NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000172551129 402662377 /nfs/dbraw/zinc/66/23/77/402662377.db2.gz CVLZLLPSNNAIRC-HZPDHXFCSA-N 1 2 320.458 2.070 10 0 DEAELO O=C(/C=C/c1ccc(Cl)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172755415 402673612 /nfs/dbraw/zinc/67/36/12/402673612.db2.gz XNRREWJHLXJWRL-GIZXNFQBSA-N 1 2 320.820 2.286 10 0 DEAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cccc2c1OCO2 ZINC000191677095 402685933 /nfs/dbraw/zinc/68/59/33/402685933.db2.gz HJFKEVUNNAIJDZ-KYOSRNDESA-N 1 2 303.358 2.189 10 0 DEAELO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cccc2c1OCO2 ZINC000191677095 402685936 /nfs/dbraw/zinc/68/59/36/402685936.db2.gz HJFKEVUNNAIJDZ-KYOSRNDESA-N 1 2 303.358 2.189 10 0 DEAELO CCCCc1nc(C[N@@H+]2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173931713 402720082 /nfs/dbraw/zinc/72/00/82/402720082.db2.gz YKHWATMWIRSRRU-OAHLLOKOSA-N 1 2 309.479 2.392 10 0 DEAELO CCCCc1nc(C[N@H+]2CC[C@@H](N3CCOCC3)C2)cs1 ZINC000173931713 402720083 /nfs/dbraw/zinc/72/00/83/402720083.db2.gz YKHWATMWIRSRRU-OAHLLOKOSA-N 1 2 309.479 2.392 10 0 DEAELO CCCCc1nc(CN2CC[C@@H]([NH+]3CCOCC3)C2)cs1 ZINC000173931713 402720085 /nfs/dbraw/zinc/72/00/85/402720085.db2.gz YKHWATMWIRSRRU-OAHLLOKOSA-N 1 2 309.479 2.392 10 0 DEAELO CCC[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173423298 402697397 /nfs/dbraw/zinc/69/73/97/402697397.db2.gz PGQUJZVPRNKFLT-OLZOCXBDSA-N 1 2 305.426 2.040 10 0 DEAELO CCC[C@@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173423298 402697400 /nfs/dbraw/zinc/69/74/00/402697400.db2.gz PGQUJZVPRNKFLT-OLZOCXBDSA-N 1 2 305.426 2.040 10 0 DEAELO CC[C@H]1CN(C(=O)NCc2[nH+]ccn2CC(C)C)C[C@@H](C)O1 ZINC000173455040 402698497 /nfs/dbraw/zinc/69/84/97/402698497.db2.gz HYWGXRLNTSAMFU-KGLIPLIRSA-N 1 2 308.426 2.248 10 0 DEAELO CCc1nc(C2([NH2+]C[C@H](O)COCC(C)C)CCCC2)no1 ZINC000174235734 402733398 /nfs/dbraw/zinc/73/33/98/402733398.db2.gz 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Fc1ccc(-c2nc([C@@H]3C[N@H+]4CCCC[C@@H]4CO3)no2)nc1 ZINC000329636157 539925243 /nfs/dbraw/zinc/92/52/43/539925243.db2.gz YCNFTVWFLDNFPR-YPMHNXCESA-N 1 2 304.325 2.197 10 0 DEAELO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000072897422 191249464 /nfs/dbraw/zinc/24/94/64/191249464.db2.gz MPTMHBAESHJDIC-CHWSQXEVSA-N 1 2 324.446 2.149 10 0 DEAELO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C1 ZINC000072897422 191249467 /nfs/dbraw/zinc/24/94/67/191249467.db2.gz MPTMHBAESHJDIC-CHWSQXEVSA-N 1 2 324.446 2.149 10 0 DEAELO CNc1nc(N2CC[C@]3(O)CCCC[C@H]3C2)[nH+]c2ccccc21 ZINC000333607457 539965054 /nfs/dbraw/zinc/96/50/54/539965054.db2.gz WCGQDSGIXNSIEP-SCLBCKFNSA-N 1 2 312.417 2.803 10 0 DEAELO COCCOCCC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173919939 198269898 /nfs/dbraw/zinc/26/98/98/198269898.db2.gz YEWQNPABZQRDJO-AWEZNQCLSA-N 1 2 317.389 2.103 10 0 DEAELO C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C)CC2)c1cccnc1 ZINC000174173041 198301660 /nfs/dbraw/zinc/30/16/60/198301660.db2.gz QFEHBTUSKPUNEC-SNVBAGLBSA-N 1 2 302.403 2.268 10 0 DEAELO C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2)c1cccnc1 ZINC000174173041 198301661 /nfs/dbraw/zinc/30/16/61/198301661.db2.gz QFEHBTUSKPUNEC-SNVBAGLBSA-N 1 2 302.403 2.268 10 0 DEAELO CC(C)(C)SCC(=O)NCc1ccc[nH+]c1N1CCOCC1 ZINC000031329150 354134862 /nfs/dbraw/zinc/13/48/62/354134862.db2.gz VVGIIEYUFCUNSA-UHFFFAOYSA-N 1 2 323.462 2.066 10 0 DEAELO C[C@@H]1COCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043500084 354222188 /nfs/dbraw/zinc/22/21/88/354222188.db2.gz ZIALTCKXEVXXAD-GFCCVEGCSA-N 1 2 324.450 2.382 10 0 DEAELO Cc1ncsc1CN(C)C(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000066598797 354723855 /nfs/dbraw/zinc/72/38/55/354723855.db2.gz WWZPQBKQAVGLGD-UHFFFAOYSA-N 1 2 319.434 2.326 10 0 DEAELO COc1cc(C)c(C(=O)NCC[NH+]2CCOCC2)cc1C(C)C ZINC000074948320 191393209 /nfs/dbraw/zinc/39/32/09/191393209.db2.gz SUGFQELEVYRPOV-UHFFFAOYSA-N 1 2 320.433 2.189 10 0 DEAELO C([C@@H]1CCCCN1c1nc(C2CC2)ns1)[NH+]1CCOCC1 ZINC000092652975 355643024 /nfs/dbraw/zinc/64/30/24/355643024.db2.gz WVGQSDIIFYKGGT-ZDUSSCGKSA-N 1 2 308.451 2.107 10 0 DEAELO COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)NCc1cccnc1 ZINC000179898074 356036351 /nfs/dbraw/zinc/03/63/51/356036351.db2.gz BRDCXYGXIQWTMY-LBPRGKRZSA-N 1 2 317.364 2.196 10 0 DEAELO CNc1[nH+]cnc2c1cnn2CC(=O)Nc1cccc(Cl)c1 ZINC000181834491 356097439 /nfs/dbraw/zinc/09/74/39/356097439.db2.gz TYCCMLLIOLCROJ-UHFFFAOYSA-N 1 2 316.752 2.160 10 0 DEAELO C[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(F)cc1 ZINC000182953211 356153300 /nfs/dbraw/zinc/15/33/00/356153300.db2.gz CXAYVROFJTXBKK-UHFFFAOYSA-N 1 2 311.364 2.493 10 0 DEAELO C[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(F)cc1 ZINC000182953211 356153303 /nfs/dbraw/zinc/15/33/03/356153303.db2.gz CXAYVROFJTXBKK-UHFFFAOYSA-N 1 2 311.364 2.493 10 0 DEAELO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000185473453 356206736 /nfs/dbraw/zinc/20/67/36/356206736.db2.gz DIPFXOKYWDSRAL-CYBMUJFWSA-N 1 2 315.421 2.223 10 0 DEAELO COC(=O)c1ccsc1NC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220615395 356274355 /nfs/dbraw/zinc/27/43/55/356274355.db2.gz PPMTWAPTNQZXNO-SECBINFHSA-N 1 2 319.386 2.310 10 0 DEAELO COC(=O)c1ccsc1NC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220615395 356274357 /nfs/dbraw/zinc/27/43/57/356274357.db2.gz PPMTWAPTNQZXNO-SECBINFHSA-N 1 2 319.386 2.310 10 0 DEAELO CN1CCN(C(=O)c2cccc3cc[nH]c32)C[C@H]1c1[nH]cc[nH+]1 ZINC000328621512 356461446 /nfs/dbraw/zinc/46/14/46/356461446.db2.gz HTUUYEFJFKTPOY-AWEZNQCLSA-N 1 2 309.373 2.020 10 0 DEAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1ccncc1Cl ZINC000328625651 356463024 /nfs/dbraw/zinc/46/30/24/356463024.db2.gz KWVNJIQHWMUPIC-LLVKDONJSA-N 1 2 304.781 2.266 10 0 DEAELO CC(C)c1nsc(N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)n1 ZINC000328641815 356466111 /nfs/dbraw/zinc/46/61/11/356466111.db2.gz YAJMNTVEGNVTIS-ZYHUDNBSSA-N 1 2 307.423 2.149 10 0 DEAELO CNc1ncc(S(=O)(=O)Nc2cc[nH+]cc2C)cc1Cl ZINC000081695782 192313877 /nfs/dbraw/zinc/31/38/77/192313877.db2.gz KANFIXQRXFWNQT-UHFFFAOYSA-N 1 2 312.782 2.281 10 0 DEAELO COCCN1CCC[N@H+](C/C=C\c2ccc(F)cc2)CC1=O ZINC000588561209 540258288 /nfs/dbraw/zinc/25/82/88/540258288.db2.gz JHZLVCNQRCGVFG-RQOWECAXSA-N 1 2 306.381 2.020 10 0 DEAELO COCCN1CCC[N@@H+](C/C=C\c2ccc(F)cc2)CC1=O ZINC000588561209 540258292 /nfs/dbraw/zinc/25/82/92/540258292.db2.gz JHZLVCNQRCGVFG-RQOWECAXSA-N 1 2 306.381 2.020 10 0 DEAELO c1c(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)nnn1-c1ccccc1 ZINC000588670679 357416340 /nfs/dbraw/zinc/41/63/40/357416340.db2.gz OJDFUROOEVQJEF-OAHLLOKOSA-N 1 2 320.400 2.437 10 0 DEAELO c1c(C[N@H+]2CCC[C@@H](c3ccncn3)C2)nnn1-c1ccccc1 ZINC000588670679 357416342 /nfs/dbraw/zinc/41/63/42/357416342.db2.gz OJDFUROOEVQJEF-OAHLLOKOSA-N 1 2 320.400 2.437 10 0 DEAELO CN(Cc1ccc(Br)s1)C[C@@H]1C[N@H+](C)CCO1 ZINC000590000602 357511670 /nfs/dbraw/zinc/51/16/70/357511670.db2.gz VEBXRINIVXPRTE-JTQLQIEISA-N 1 2 319.268 2.273 10 0 DEAELO CN(Cc1ccc(Br)s1)C[C@@H]1C[N@@H+](C)CCO1 ZINC000590000602 357511676 /nfs/dbraw/zinc/51/16/76/357511676.db2.gz VEBXRINIVXPRTE-JTQLQIEISA-N 1 2 319.268 2.273 10 0 DEAELO C[C@@H]1COCC[N@@H+]1CCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000591230250 357692159 /nfs/dbraw/zinc/69/21/59/357692159.db2.gz OIPMUNVPCVJFGT-LLVKDONJSA-N 1 2 321.808 2.272 10 0 DEAELO C[C@@H]1COCC[N@H+]1CCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000591230250 357692161 /nfs/dbraw/zinc/69/21/61/357692161.db2.gz OIPMUNVPCVJFGT-LLVKDONJSA-N 1 2 321.808 2.272 10 0 DEAELO Cc1cc(C[NH+]2CCN(c3cccc(F)c3F)CC2)ncn1 ZINC000292358932 223018260 /nfs/dbraw/zinc/01/82/60/223018260.db2.gz FKSIJHAURHFNTN-UHFFFAOYSA-N 1 2 304.344 2.385 10 0 DEAELO C[C@H](CCCc1ccccc1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000179769958 199078011 /nfs/dbraw/zinc/07/80/11/199078011.db2.gz PFNCRZFNLPQHNP-IAGOWNOFSA-N 1 2 318.461 2.482 10 0 DEAELO C[C@H](CC(=O)NC[C@H]1C[N@H+](C)CCO1)Cc1ccc(Cl)cc1 ZINC000179882363 199091058 /nfs/dbraw/zinc/09/10/58/199091058.db2.gz SDCVJJKQUGDTDL-BBRMVZONSA-N 1 2 324.852 2.356 10 0 DEAELO C[C@H](CC(=O)NC[C@H]1C[N@@H+](C)CCO1)Cc1ccc(Cl)cc1 ZINC000179882363 199091059 /nfs/dbraw/zinc/09/10/59/199091059.db2.gz SDCVJJKQUGDTDL-BBRMVZONSA-N 1 2 324.852 2.356 10 0 DEAELO CC[C@@H]1C[C@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000180056258 199112585 /nfs/dbraw/zinc/11/25/85/199112585.db2.gz IBXZDFHBQYHDGQ-UKRRQHHQSA-N 1 2 314.389 2.089 10 0 DEAELO C[N@@H+]1CCO[C@H](CNCc2c(F)cccc2Br)C1 ZINC000180483027 199165272 /nfs/dbraw/zinc/16/52/72/199165272.db2.gz OPKFLWRUAWEXNL-SNVBAGLBSA-N 1 2 317.202 2.008 10 0 DEAELO C[N@H+]1CCO[C@H](CNCc2c(F)cccc2Br)C1 ZINC000180483027 199165273 /nfs/dbraw/zinc/16/52/73/199165273.db2.gz OPKFLWRUAWEXNL-SNVBAGLBSA-N 1 2 317.202 2.008 10 0 DEAELO CC[C@H]1C[N@H+](Cc2cccc3nccn32)CCN1CC(F)F ZINC000180543151 199173597 /nfs/dbraw/zinc/17/35/97/199173597.db2.gz YVXKAIMQTUHAQJ-ZDUSSCGKSA-N 1 2 308.376 2.496 10 0 DEAELO CC[C@H]1C[N@@H+](Cc2cccc3nccn32)CCN1CC(F)F ZINC000180543151 199173602 /nfs/dbraw/zinc/17/36/02/199173602.db2.gz YVXKAIMQTUHAQJ-ZDUSSCGKSA-N 1 2 308.376 2.496 10 0 DEAELO CC[C@]1(CO)CCCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000187266482 200086164 /nfs/dbraw/zinc/08/61/64/200086164.db2.gz JSLBNXRDKBBHJC-KRWDZBQOSA-N 1 2 322.453 2.233 10 0 DEAELO Cc1ncc(C[NH+]2CCN(C(=O)/C=C/c3ccc[nH]3)CC2)s1 ZINC000187859006 200167450 /nfs/dbraw/zinc/16/74/50/200167450.db2.gz KFSRVZFYKMRMGI-SNAWJCMRSA-N 1 2 316.430 2.137 10 0 DEAELO CC(C)NC(=O)c1ccccc1NC(=O)CCc1c[nH+]cn1C ZINC000188607723 200273785 /nfs/dbraw/zinc/27/37/85/200273785.db2.gz PNKPONVYNFQPBA-UHFFFAOYSA-N 1 2 314.389 2.130 10 0 DEAELO CO[C@H]1C[N@H+](CC(=O)Nc2cccc(C(C)=O)c2)CC[C@@H]1C ZINC000189272830 200373894 /nfs/dbraw/zinc/37/38/94/200373894.db2.gz MIAXQUOGWRPOHM-LRDDRELGSA-N 1 2 304.390 2.185 10 0 DEAELO CO[C@H]1C[N@@H+](CC(=O)Nc2cccc(C(C)=O)c2)CC[C@@H]1C ZINC000189272830 200373897 /nfs/dbraw/zinc/37/38/97/200373897.db2.gz MIAXQUOGWRPOHM-LRDDRELGSA-N 1 2 304.390 2.185 10 0 DEAELO CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603884212 360869628 /nfs/dbraw/zinc/86/96/28/360869628.db2.gz BPMPLVQSDQAPFR-CYBMUJFWSA-N 1 2 314.389 2.310 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(N2CCOCC2)cc1 ZINC000603786602 360859023 /nfs/dbraw/zinc/85/90/23/360859023.db2.gz ZVOQNRQNAYPRHZ-UHFFFAOYSA-N 1 2 322.368 2.423 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)N1CCC2(C1)CCOCC2 ZINC000608313810 361196453 /nfs/dbraw/zinc/19/64/53/361196453.db2.gz NZEBOHZXIJUHAF-UHFFFAOYSA-N 1 2 300.362 2.369 10 0 DEAELO CCCC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C(=O)OC(C)(C)C ZINC000193823303 201129588 /nfs/dbraw/zinc/12/95/88/201129588.db2.gz QBWHOZCYHLGIEU-CYBMUJFWSA-N 1 2 309.410 2.359 10 0 DEAELO CCCC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C(=O)OC(C)(C)C ZINC000193823303 201129591 /nfs/dbraw/zinc/12/95/91/201129591.db2.gz QBWHOZCYHLGIEU-CYBMUJFWSA-N 1 2 309.410 2.359 10 0 DEAELO CC1(C)COCC[N@@H+]1CCNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194333854 201205508 /nfs/dbraw/zinc/20/55/08/201205508.db2.gz HIOLDGWXPUXNPD-UHFFFAOYSA-N 1 2 316.405 2.400 10 0 DEAELO CC1(C)COCC[N@H+]1CCNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194333854 201205509 /nfs/dbraw/zinc/20/55/09/201205509.db2.gz HIOLDGWXPUXNPD-UHFFFAOYSA-N 1 2 316.405 2.400 10 0 DEAELO c1ccc(OCc2n[nH]c(C[NH2+]C[C@@H]3CCC=CO3)n2)cc1 ZINC000194714247 201277322 /nfs/dbraw/zinc/27/73/22/201277322.db2.gz QENBVOLMOCCQAH-AWEZNQCLSA-N 1 2 300.362 2.166 10 0 DEAELO c1ccc(OCc2nnc(C[NH2+]C[C@@H]3CCC=CO3)[nH]2)cc1 ZINC000194714247 201277325 /nfs/dbraw/zinc/27/73/25/201277325.db2.gz QENBVOLMOCCQAH-AWEZNQCLSA-N 1 2 300.362 2.166 10 0 DEAELO CCCCOC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000195174631 201353754 /nfs/dbraw/zinc/35/37/54/201353754.db2.gz QSLSYFCORUMIRH-YOEHRIQHSA-N 1 2 311.397 2.377 10 0 DEAELO CCCCOC[C@@H](O)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000195174631 201353757 /nfs/dbraw/zinc/35/37/57/201353757.db2.gz QSLSYFCORUMIRH-YOEHRIQHSA-N 1 2 311.397 2.377 10 0 DEAELO C[C@@H](C[NH+]1CCOCC1)N1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000091581809 193075404 /nfs/dbraw/zinc/07/54/04/193075404.db2.gz MTGMAHJFTBHOPI-HDMKZQKVSA-N 1 2 322.424 2.308 10 0 DEAELO C[C@H]1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)[C@@H]1CO ZINC000624146989 365307224 /nfs/dbraw/zinc/30/72/24/365307224.db2.gz PRAOJMHGCAPKQW-XJKSGUPXSA-N 1 2 310.401 2.204 10 0 DEAELO C[N@@H+]1CCO[C@H](C(=O)Cc2ccc(Br)cc2F)C1 ZINC000091688444 193092143 /nfs/dbraw/zinc/09/21/43/193092143.db2.gz YLMKURGQSDSUNR-ZDUSSCGKSA-N 1 2 316.170 2.030 10 0 DEAELO C[N@H+]1CCO[C@H](C(=O)Cc2ccc(Br)cc2F)C1 ZINC000091688444 193092145 /nfs/dbraw/zinc/09/21/45/193092145.db2.gz YLMKURGQSDSUNR-ZDUSSCGKSA-N 1 2 316.170 2.030 10 0 DEAELO COC[C@H]([NH2+]Cc1nc(C(=O)OC)cs1)c1ccccc1 ZINC000450668998 242080398 /nfs/dbraw/zinc/08/03/98/242080398.db2.gz RKLCDIYAGDYXQN-LBPRGKRZSA-N 1 2 306.387 2.407 10 0 DEAELO CCO[C@H]1C[C@]([NH2+]CC2CC(F)(F)C2)(C(=O)OC)C1(C)C ZINC000450818270 242267988 /nfs/dbraw/zinc/26/79/88/242267988.db2.gz HSFTZVMUFNZYTA-NHYWBVRUSA-N 1 2 305.365 2.368 10 0 DEAELO COC(=O)c1ccccc1C[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000092095189 193155887 /nfs/dbraw/zinc/15/58/87/193155887.db2.gz KSVYFVVCXOZYEP-USXIJHARSA-N 1 2 319.401 2.242 10 0 DEAELO COC(=O)c1ccccc1C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000092095189 193155888 /nfs/dbraw/zinc/15/58/88/193155888.db2.gz KSVYFVVCXOZYEP-USXIJHARSA-N 1 2 319.401 2.242 10 0 DEAELO c1cn(C[C@@H]2CCCN(c3[nH+]c(C4CC4)nc4[nH]ccc43)C2)nn1 ZINC000631179908 368064019 /nfs/dbraw/zinc/06/40/19/368064019.db2.gz ZEJZYMYDPIZCFV-GFCCVEGCSA-N 1 2 323.404 2.343 10 0 DEAELO c1cn(-c2cccc(NCc3cn(C[C@H]4CCOC4)nn3)c2)c[nH+]1 ZINC000631094147 368013519 /nfs/dbraw/zinc/01/35/19/368013519.db2.gz LBZAFPBZQOIIGJ-CQSZACIVSA-N 1 2 324.388 2.112 10 0 DEAELO C[N@H+](CC(=O)c1ccccc1Br)CC(C)(C)O ZINC000092970167 193190579 /nfs/dbraw/zinc/19/05/79/193190579.db2.gz ZMGSPIAJLPXZBC-UHFFFAOYSA-N 1 2 300.196 2.335 10 0 DEAELO C[N@@H+](CC(=O)c1ccccc1Br)CC(C)(C)O ZINC000092970167 193190582 /nfs/dbraw/zinc/19/05/82/193190582.db2.gz ZMGSPIAJLPXZBC-UHFFFAOYSA-N 1 2 300.196 2.335 10 0 DEAELO CCOc1cc(C[N@@H+]2CCNC(=O)CC2)cc(Cl)c1OC ZINC000093101448 193203121 /nfs/dbraw/zinc/20/31/21/193203121.db2.gz VXAKNYYVYBSURA-UHFFFAOYSA-N 1 2 312.797 2.069 10 0 DEAELO CCOc1cc(C[N@H+]2CCNC(=O)CC2)cc(Cl)c1OC ZINC000093101448 193203123 /nfs/dbraw/zinc/20/31/23/193203123.db2.gz VXAKNYYVYBSURA-UHFFFAOYSA-N 1 2 312.797 2.069 10 0 DEAELO Cc1ccc(C(=O)NCCc2c[nH+]c[nH]2)cc1Br ZINC000093220690 193218307 /nfs/dbraw/zinc/21/83/07/193218307.db2.gz PYTRPAYZPAKUPO-UHFFFAOYSA-N 1 2 308.179 2.453 10 0 DEAELO Cc1ccc(C(=O)NCCc2c[nH]c[nH+]2)cc1Br ZINC000093220690 193218309 /nfs/dbraw/zinc/21/83/09/193218309.db2.gz PYTRPAYZPAKUPO-UHFFFAOYSA-N 1 2 308.179 2.453 10 0 DEAELO COc1c(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(C)nn1C ZINC000093457893 193255139 /nfs/dbraw/zinc/25/51/39/193255139.db2.gz FDVRFAFXCXQSQK-MRXNPFEDSA-N 1 2 317.389 2.016 10 0 DEAELO COc1c(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)c(C)nn1C ZINC000093457893 193255140 /nfs/dbraw/zinc/25/51/40/193255140.db2.gz FDVRFAFXCXQSQK-MRXNPFEDSA-N 1 2 317.389 2.016 10 0 DEAELO Cc1n[nH]cc1C[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000093385965 193241810 /nfs/dbraw/zinc/24/18/10/193241810.db2.gz SNKFLOQQFJEVAB-UHFFFAOYSA-N 1 2 304.419 2.128 10 0 DEAELO Cc1n[nH]cc1C[N@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000093385965 193241811 /nfs/dbraw/zinc/24/18/11/193241811.db2.gz SNKFLOQQFJEVAB-UHFFFAOYSA-N 1 2 304.419 2.128 10 0 DEAELO COC(=O)[C@]1([NH2+]C(C)C)CCC[C@@H](N(C)CC(F)(F)F)C1 ZINC000093750972 193299195 /nfs/dbraw/zinc/29/91/95/193299195.db2.gz SPRQJBVXKJIDHI-YPMHNXCESA-N 1 2 310.360 2.333 10 0 DEAELO CCOC(=O)[C@]1([NH2+]C2CC2)CCC[C@H](S[C@@H](C)CCO)C1 ZINC000093780688 193307835 /nfs/dbraw/zinc/30/78/35/193307835.db2.gz QVDXGMYCQUJMPO-NOLJZWGESA-N 1 2 315.479 2.487 10 0 DEAELO COC(=O)[C@]1([NH2+]C(C)C)CC[C@@H](Sc2nncs2)C1 ZINC000093850980 193318991 /nfs/dbraw/zinc/31/89/91/193318991.db2.gz IVEBTMKLSVQJNS-SKDRFNHKSA-N 1 2 301.437 2.093 10 0 DEAELO CC[N@@H+]1CCO[C@H](c2noc(-c3ccc(O)c(Cl)c3)n2)C1 ZINC000093916486 193328366 /nfs/dbraw/zinc/32/83/66/193328366.db2.gz 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C[C@H](COCc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000178826278 402544053 /nfs/dbraw/zinc/54/40/53/402544053.db2.gz IVXVETFOGCECCH-ZBFHGGJFSA-N 1 2 313.401 2.167 10 0 DEAELO C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1CCCc2ccccc21 ZINC000170978048 402546582 /nfs/dbraw/zinc/54/65/82/402546582.db2.gz XPIFUSRZLMEGOQ-DOTOQJQBSA-N 1 2 316.445 2.334 10 0 DEAELO Cc1cnn(CCNc2cc(N3CCC[C@H](C)C3)nc[nH+]2)c1 ZINC000170999829 402548268 /nfs/dbraw/zinc/54/82/68/402548268.db2.gz DQDLKRRIHKVWPU-ZDUSSCGKSA-N 1 2 300.410 2.330 10 0 DEAELO Cc1cnn(CCNc2cc(N3CCC[C@H](C)C3)[nH+]cn2)c1 ZINC000170999829 402548269 /nfs/dbraw/zinc/54/82/69/402548269.db2.gz DQDLKRRIHKVWPU-ZDUSSCGKSA-N 1 2 300.410 2.330 10 0 DEAELO Cn1cc(Cl)cc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000171027164 402550980 /nfs/dbraw/zinc/55/09/80/402550980.db2.gz WEJACHNRXKKJGJ-UHFFFAOYSA-N 1 2 318.808 2.426 10 0 DEAELO CC(C)NC(=O)C[N@H+](C)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000178978264 402561322 /nfs/dbraw/zinc/56/13/22/402561322.db2.gz 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CS[C@@H](C(=O)NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1 ZINC000172551139 402662274 /nfs/dbraw/zinc/66/22/74/402662274.db2.gz CVLZLLPSNNAIRC-JKSUJKDBSA-N 1 2 320.458 2.070 10 0 DEAELO O=C(c1cc2ccccc2s1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172742062 402672901 /nfs/dbraw/zinc/67/29/01/402672901.db2.gz UJGIPEVYJXHEJY-CQSZACIVSA-N 1 2 316.426 2.448 10 0 DEAELO C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000191977893 402702083 /nfs/dbraw/zinc/70/20/83/402702083.db2.gz NWXDVKPTHSAYFG-MNOVXSKESA-N 1 2 304.423 2.405 10 0 DEAELO C[C@H](c1nnnn1C1CC1)[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000191977893 402702086 /nfs/dbraw/zinc/70/20/86/402702086.db2.gz NWXDVKPTHSAYFG-MNOVXSKESA-N 1 2 304.423 2.405 10 0 DEAELO COc1ccccc1[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263252760 402750633 /nfs/dbraw/zinc/75/06/33/402750633.db2.gz QDXPJDKYBZQPLN-WCQYABFASA-N 1 2 310.344 2.008 10 0 DEAELO COc1ccc([C@@H]2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cc1 ZINC000263306697 402756984 /nfs/dbraw/zinc/75/69/84/402756984.db2.gz 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CESYFCQEEKVGRR-HOTGVXAUSA-N 1 2 311.422 2.467 10 0 DEAELO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[N@@H+]1CCO ZINC000190236985 684398819 /nfs/dbraw/zinc/39/88/19/684398819.db2.gz LNZZKHIWNPBCIM-SNVBAGLBSA-N 1 2 319.232 2.197 10 0 DEAELO C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CC[N@H+]1CCO ZINC000190236985 684398825 /nfs/dbraw/zinc/39/88/25/684398825.db2.gz LNZZKHIWNPBCIM-SNVBAGLBSA-N 1 2 319.232 2.197 10 0 DEAELO CCC1(CC)C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC[S@@]1=O ZINC000192192698 684444163 /nfs/dbraw/zinc/44/41/63/684444163.db2.gz KJAMHTCROZOUFC-ZSEKCTLFSA-N 1 2 313.463 2.095 10 0 DEAELO CCC1(CC)C[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC[S@@]1=O ZINC000192192698 684444166 /nfs/dbraw/zinc/44/41/66/684444166.db2.gz KJAMHTCROZOUFC-ZSEKCTLFSA-N 1 2 313.463 2.095 10 0 DEAELO CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248873185 685170049 /nfs/dbraw/zinc/17/00/49/685170049.db2.gz VKIFOHYPDCKBRA-MPTYRVRUSA-N 1 2 324.465 2.345 10 0 DEAELO CCCCC[C@H](C)NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248873185 685170051 /nfs/dbraw/zinc/17/00/51/685170051.db2.gz VKIFOHYPDCKBRA-MPTYRVRUSA-N 1 2 324.465 2.345 10 0 DEAELO [NH3+][C@H](CC(=O)NCc1ccc(Br)cc1)C(F)F ZINC000724765878 777471828 /nfs/dbraw/zinc/47/18/28/777471828.db2.gz HDQPAGWYJJIIRF-SECBINFHSA-N 1 2 307.138 2.048 10 0 DEAELO CCC[C@H](C)[C@@H]1CCCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000137073687 282093286 /nfs/dbraw/zinc/09/32/86/282093286.db2.gz MMCIALHELJBSAG-XHSDSOJGSA-N 1 2 311.470 2.317 10 0 DEAELO c1ccc2c(c1)CC[C@H](Nc1cc(N3CCOCC3)nc[nH+]1)C2 ZINC000278390425 214136302 /nfs/dbraw/zinc/13/63/02/214136302.db2.gz NUUIQNUUQYZPMU-INIZCTEOSA-N 1 2 310.401 2.283 10 0 DEAELO c1ccc2c(c1)CC[C@H](Nc1cc(N3CCOCC3)[nH+]cn1)C2 ZINC000278390425 214136304 /nfs/dbraw/zinc/13/63/04/214136304.db2.gz NUUIQNUUQYZPMU-INIZCTEOSA-N 1 2 310.401 2.283 10 0 DEAELO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3noc(C)n3)C2)c1 ZINC000083403073 185222014 /nfs/dbraw/zinc/22/20/14/185222014.db2.gz ZJZIFAPVUFXYQR-LBPRGKRZSA-N 1 2 303.362 2.385 10 0 DEAELO COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3noc(C)n3)C2)c1 ZINC000083403073 185222015 /nfs/dbraw/zinc/22/20/15/185222015.db2.gz ZJZIFAPVUFXYQR-LBPRGKRZSA-N 1 2 303.362 2.385 10 0 DEAELO O=C([C@@H]1CCNC(=O)C1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000328705179 231315391 /nfs/dbraw/zinc/31/53/91/231315391.db2.gz YPIHCRVOJFTFRM-OCCSQVGLSA-N 1 2 321.808 2.179 10 0 DEAELO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(OC)c(C(N)=S)c1 ZINC000087832501 185232563 /nfs/dbraw/zinc/23/25/63/185232563.db2.gz QKWIMIQJHLZDCW-DGCLKSJQSA-N 1 2 308.447 2.329 10 0 DEAELO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OC)c(C(N)=S)c1 ZINC000087832501 185232564 /nfs/dbraw/zinc/23/25/64/185232564.db2.gz QKWIMIQJHLZDCW-DGCLKSJQSA-N 1 2 308.447 2.329 10 0 DEAELO CC[C@H](NCC[N@@H+]1CCc2c(Cl)cccc2C1)C(=O)OC ZINC000192866059 529602519 /nfs/dbraw/zinc/60/25/19/529602519.db2.gz VSGUPXADJZRHOH-HNNXBMFYSA-N 1 2 310.825 2.239 10 0 DEAELO CC[C@H](NCC[N@H+]1CCc2c(Cl)cccc2C1)C(=O)OC ZINC000192866059 529602522 /nfs/dbraw/zinc/60/25/22/529602522.db2.gz VSGUPXADJZRHOH-HNNXBMFYSA-N 1 2 310.825 2.239 10 0 DEAELO CC[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)C(=O)OC ZINC000192866059 529602523 /nfs/dbraw/zinc/60/25/23/529602523.db2.gz VSGUPXADJZRHOH-HNNXBMFYSA-N 1 2 310.825 2.239 10 0 DEAELO C[C@@H]([NH2+][C@@H]1C=CS(=O)(=O)C1)c1ccccc1OC(F)F ZINC000088855583 185267076 /nfs/dbraw/zinc/26/70/76/185267076.db2.gz CHSCIKBLHNLHMS-NXEZZACHSA-N 1 2 303.330 2.249 10 0 DEAELO CCOC(=O)[C@H]([NH3+])[C@H](O)c1ccc(SC(F)(F)F)cc1 ZINC000090301713 185290209 /nfs/dbraw/zinc/29/02/09/185290209.db2.gz UTAUKNIJUDQVIO-NXEZZACHSA-N 1 2 309.309 2.222 10 0 DEAELO C[C@H](CN1C(=O)C2(CCCC2)[NH2+][C@H]1C1CCCC1)[S@](C)=O ZINC000166701549 197696730 /nfs/dbraw/zinc/69/67/30/197696730.db2.gz VVVXHSDVBZHGPD-MTNMJMNLSA-N 1 2 312.479 2.014 10 0 DEAELO Cc1nc(C(=O)Nc2cccc(-c3[nH]cc[nH+]3)c2)c(=O)[nH]c1C ZINC000092410571 185316947 /nfs/dbraw/zinc/31/69/47/185316947.db2.gz CHFGOCGNVUIBPI-UHFFFAOYSA-N 1 2 309.329 2.029 10 0 DEAELO CCn1nc(C)c2[nH]c(=S)n([C@@H](C)C[NH+]3CCOCC3)c21 ZINC000092590293 185327425 /nfs/dbraw/zinc/32/74/25/185327425.db2.gz IOKXRFPCDRVYNH-JTQLQIEISA-N 1 2 309.439 2.117 10 0 DEAELO CCC1(CC)C[N@H+](CCOCC(F)(F)F)CC[S@]1=O ZINC000185254045 282261613 /nfs/dbraw/zinc/26/16/13/282261613.db2.gz XCRXOJRYTVGZSP-LJQANCHMSA-N 1 2 301.374 2.188 10 0 DEAELO CCC1(CC)C[N@@H+](CCOCC(F)(F)F)CC[S@]1=O ZINC000185254045 282261614 /nfs/dbraw/zinc/26/16/14/282261614.db2.gz XCRXOJRYTVGZSP-LJQANCHMSA-N 1 2 301.374 2.188 10 0 DEAELO C[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CCS1 ZINC000192230315 282339179 /nfs/dbraw/zinc/33/91/79/282339179.db2.gz CLJWORJQZBAWAH-LBPRGKRZSA-N 1 2 308.451 2.185 10 0 DEAELO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2nc(C)c(C)o2)c1 ZINC000181939435 199365767 /nfs/dbraw/zinc/36/57/67/199365767.db2.gz BSZXIGMWMRLYHH-LLVKDONJSA-N 1 2 323.418 2.050 10 0 DEAELO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2nc(C)c(C)o2)c1 ZINC000181939413 199366504 /nfs/dbraw/zinc/36/65/04/199366504.db2.gz BSZXIGMWMRLYHH-NSHDSACASA-N 1 2 323.418 2.050 10 0 DEAELO C[C@@H](C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C1CCOCC1 ZINC000161611755 539592601 /nfs/dbraw/zinc/59/26/01/539592601.db2.gz IELUSGPTLVDJPB-CQSZACIVSA-N 1 2 317.433 2.361 10 0 DEAELO Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172742748 539617737 /nfs/dbraw/zinc/61/77/37/539617737.db2.gz KJPMUKVIXPMMHY-RYQLBKOJSA-N 1 2 314.429 2.032 10 0 DEAELO CC(C)(C)OC(=O)NCC[N@@H+]1CCCO[C@H](C(F)(F)F)C1 ZINC000616678584 362908616 /nfs/dbraw/zinc/90/86/16/362908616.db2.gz JWKZIDGCRSZQFO-JTQLQIEISA-N 1 2 312.332 2.164 10 0 DEAELO CC(C)(C)OC(=O)NCC[N@H+]1CCCO[C@H](C(F)(F)F)C1 ZINC000616678584 362908621 /nfs/dbraw/zinc/90/86/21/362908621.db2.gz JWKZIDGCRSZQFO-JTQLQIEISA-N 1 2 312.332 2.164 10 0 DEAELO FC(F)(F)Cn1ccnc1CN1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177100860 539629499 /nfs/dbraw/zinc/62/94/99/539629499.db2.gz LORMAZRBGKLHCV-LBPRGKRZSA-N 1 2 313.327 2.307 10 0 DEAELO CNC(=O)[C@H]([NH2+]Cc1ncc(-c2ccc(OC)cc2)o1)C(C)C ZINC000183642094 539663915 /nfs/dbraw/zinc/66/39/15/539663915.db2.gz GCTNKAVNZNMJAI-MRXNPFEDSA-N 1 2 317.389 2.210 10 0 DEAELO Cc1noc2ncnc(N3CCc4c([nH+]c(C(C)C)n4C)C3)c12 ZINC000193394854 539712683 /nfs/dbraw/zinc/71/26/83/539712683.db2.gz PRFQKWPWTLODDY-UHFFFAOYSA-N 1 2 312.377 2.346 10 0 DEAELO CS(=O)(=O)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000225330956 539730175 /nfs/dbraw/zinc/73/01/75/539730175.db2.gz MNUJLWPBZMOWTA-UHFFFAOYSA-N 1 2 316.835 2.490 10 0 DEAELO C[NH2+]Cc1cc(F)c(F)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000138591130 186017781 /nfs/dbraw/zinc/01/77/81/186017781.db2.gz LYJANXFQJWEFSO-UHFFFAOYSA-N 1 2 312.341 2.485 10 0 DEAELO C[C@H](NC(=O)c1ccc(Br)cc1N)c1[nH]cc[nH+]1 ZINC000139538157 186022769 /nfs/dbraw/zinc/02/27/69/186022769.db2.gz HHZQPWXGCXSHQD-ZETCQYMHSA-N 1 2 309.167 2.245 10 0 DEAELO C[C@@H]1C[C@H]1C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000246972999 539767841 /nfs/dbraw/zinc/76/78/41/539767841.db2.gz QAYXQJLKJGWETA-MGPQQGTHSA-N 1 2 308.447 2.236 10 0 DEAELO C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1[nH]cc[nH+]1 ZINC000141415465 186030114 /nfs/dbraw/zinc/03/01/14/186030114.db2.gz SYGJSVRYAMDYJA-ZETCQYMHSA-N 1 2 303.746 2.242 10 0 DEAELO CCc1nc([C@]2([NH3+])CCS(=O)(=O)c3ccccc32)sc1C ZINC000147742120 186041442 /nfs/dbraw/zinc/04/14/42/186041442.db2.gz SRZNZFRLVLNTIP-HNNXBMFYSA-N 1 2 322.455 2.394 10 0 DEAELO O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[N@@H+](C2CC2)CC1 ZINC000149113116 186047767 /nfs/dbraw/zinc/04/77/67/186047767.db2.gz XFAXGUOSVYLOLI-UHFFFAOYSA-N 1 2 310.401 2.387 10 0 DEAELO O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[N@H+](C2CC2)CC1 ZINC000149113116 186047769 /nfs/dbraw/zinc/04/77/69/186047769.db2.gz XFAXGUOSVYLOLI-UHFFFAOYSA-N 1 2 310.401 2.387 10 0 DEAELO CNc1nc(-n2ccnc2)nc(N[C@H](C)c2ccsc2)[nH+]1 ZINC000149272844 186048289 /nfs/dbraw/zinc/04/82/89/186048289.db2.gz FKBGSIOGBAPXRH-SECBINFHSA-N 1 2 301.379 2.334 10 0 DEAELO O=C(c1cccs1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000155793880 186113453 /nfs/dbraw/zinc/11/34/53/186113453.db2.gz ZPTCDSUOEOPZFV-UHFFFAOYSA-N 1 2 301.415 2.491 10 0 DEAELO O=C(c1cccs1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000155793880 186113455 /nfs/dbraw/zinc/11/34/55/186113455.db2.gz ZPTCDSUOEOPZFV-UHFFFAOYSA-N 1 2 301.415 2.491 10 0 DEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000163953108 186143695 /nfs/dbraw/zinc/14/36/95/186143695.db2.gz VLQCGDPUEWBDKG-LLVKDONJSA-N 1 2 313.357 2.233 10 0 DEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000163953108 186143696 /nfs/dbraw/zinc/14/36/96/186143696.db2.gz VLQCGDPUEWBDKG-LLVKDONJSA-N 1 2 313.357 2.233 10 0 DEAELO CCCC[C@@H]1[NH2+][C@@H](CC(C)C)N(C2CCS(=O)CC2)C1=O ZINC000159625379 186131620 /nfs/dbraw/zinc/13/16/20/186131620.db2.gz QBECRMOWYFAFCO-IYOTWJRTSA-N 1 2 314.495 2.260 10 0 DEAELO Fc1ccc2[nH]c3c(c2c1)C[N@H+](CCCN1CCOCC1)CC3 ZINC000173330882 186177303 /nfs/dbraw/zinc/17/73/03/186177303.db2.gz JZTRXOVNPSEVET-UHFFFAOYSA-N 1 2 317.408 2.387 10 0 DEAELO Fc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCN1CCOCC1)CC3 ZINC000173330882 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O[C@]1(c2cn[nH]n2)CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000583617502 405774009 /nfs/dbraw/zinc/77/40/09/405774009.db2.gz FUZBFBNCFVUBMO-CQSZACIVSA-N 1 2 310.760 2.081 10 0 DEAELO O[C@]1(c2c[nH]nn2)CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000583617502 405774015 /nfs/dbraw/zinc/77/40/15/405774015.db2.gz FUZBFBNCFVUBMO-CQSZACIVSA-N 1 2 310.760 2.081 10 0 DEAELO O[C@]1(c2c[nH]nn2)CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000583617502 405774022 /nfs/dbraw/zinc/77/40/22/405774022.db2.gz FUZBFBNCFVUBMO-CQSZACIVSA-N 1 2 310.760 2.081 10 0 DEAELO C[C@@H](c1ccco1)N(C)C(=O)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000560988792 405883416 /nfs/dbraw/zinc/88/34/16/405883416.db2.gz CNELFTFTALLHMH-NSHDSACASA-N 1 2 312.329 2.085 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)C(=O)N1CC[C@H]1c1ccccc1 ZINC000561332130 405920616 /nfs/dbraw/zinc/92/06/16/405920616.db2.gz IFNYLARCCFDFFD-HNNXBMFYSA-N 1 2 320.352 2.246 10 0 DEAELO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)[nH]1 ZINC000459687954 406007561 /nfs/dbraw/zinc/00/75/61/406007561.db2.gz XXTVODQGCPZZAI-UHFFFAOYSA-N 1 2 300.366 2.375 10 0 DEAELO Cc1cccn2cc(CC(=O)NC[C@@H](CO)c3ccccc3)[nH+]c12 ZINC000532673544 406092591 /nfs/dbraw/zinc/09/25/91/406092591.db2.gz BJVRQPAKKVAUKQ-INIZCTEOSA-N 1 2 323.396 2.078 10 0 DEAELO Cc1ccc(-c2noc(C[N@@H+]3CCSC[C@@H]3CCO)n2)cc1 ZINC000532351831 406068986 /nfs/dbraw/zinc/06/89/86/406068986.db2.gz QRPZFDLDJRFYSD-AWEZNQCLSA-N 1 2 319.430 2.345 10 0 DEAELO Cc1ccc(-c2noc(C[N@H+]3CCSC[C@@H]3CCO)n2)cc1 ZINC000532351831 406068989 /nfs/dbraw/zinc/06/89/89/406068989.db2.gz QRPZFDLDJRFYSD-AWEZNQCLSA-N 1 2 319.430 2.345 10 0 DEAELO CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000569336619 406239945 /nfs/dbraw/zinc/23/99/45/406239945.db2.gz FUGOWMRGDOPUKA-KRWDZBQOSA-N 1 2 321.442 2.476 10 0 DEAELO CC(=O)c1ccccc1OCC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000569336619 406239951 /nfs/dbraw/zinc/23/99/51/406239951.db2.gz FUGOWMRGDOPUKA-KRWDZBQOSA-N 1 2 321.442 2.476 10 0 DEAELO Cn1ccc([C@@H]([NH2+]C[C@@H](O)C(F)F)c2ccc(Cl)cc2)n1 ZINC000570606653 406415132 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Cn1cc([C@@H]([NH3+])c2nc(-c3ccc(F)cc3Cl)no2)cn1 ZINC000131007017 196132245 /nfs/dbraw/zinc/13/22/45/196132245.db2.gz VBBVTLBBVTYCFS-LLVKDONJSA-N 1 2 307.716 2.311 10 0 DEAELO COc1ccc(Br)cc1Nc1cc(N)[nH+]c(N)n1 ZINC000131235321 196152044 /nfs/dbraw/zinc/15/20/44/196152044.db2.gz MAQNYQVUZLXHMN-UHFFFAOYSA-N 1 2 310.155 2.156 10 0 DEAELO Cc1ncsc1CN(C)c1nc(N)[nH+]cc1Br ZINC000133728509 196332450 /nfs/dbraw/zinc/33/24/50/196332450.db2.gz UKZYMZOYFKXFTJ-UHFFFAOYSA-N 1 2 314.212 2.223 10 0 DEAELO Cn1ncc(Br)c1C(=O)C(C)(C)[NH+]1CCCC1 ZINC000134086553 196360184 /nfs/dbraw/zinc/36/01/84/196360184.db2.gz AEXINYFALGBABG-UHFFFAOYSA-N 1 2 300.200 2.240 10 0 DEAELO Cc1cnc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)s1 ZINC000189701947 225062116 /nfs/dbraw/zinc/06/21/16/225062116.db2.gz ZBUVOZVIHBEFGM-UHFFFAOYSA-N 1 2 303.435 2.374 10 0 DEAELO C[C@@H]1COCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000194055534 225173581 /nfs/dbraw/zinc/17/35/81/225173581.db2.gz UQWCWBARAQVGMM-GDBMZVCRSA-N 1 2 317.433 2.361 10 0 DEAELO Cn1ccc(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)n1 ZINC000572055696 292592143 /nfs/dbraw/zinc/59/21/43/292592143.db2.gz MFEZXMZCQHFALA-UHFFFAOYSA-N 1 2 306.329 2.247 10 0 DEAELO c1c(CCNc2nccn3c2nnc3C2CC2)[nH+]c2ccccn12 ZINC000302224445 230181293 /nfs/dbraw/zinc/18/12/93/230181293.db2.gz UQQOOWRLHMSMSM-UHFFFAOYSA-N 1 2 319.372 2.304 10 0 DEAELO C[NH+](C)C[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1ccccc1 ZINC000126741894 424856189 /nfs/dbraw/zinc/85/61/89/424856189.db2.gz LWIZGNQSWPUYJK-MRXNPFEDSA-N 1 2 312.417 2.321 10 0 DEAELO Cc1cc(NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)nc(C2CC2)[nH+]1 ZINC000374635110 424890770 /nfs/dbraw/zinc/89/07/70/424890770.db2.gz GIANLMDLAWHYDG-GOEBONIOSA-N 1 2 317.433 2.642 10 0 DEAELO C[C@H](COCc1ccccc1)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000657379551 425319441 /nfs/dbraw/zinc/31/94/41/425319441.db2.gz ZTYJVIQKBKKNHM-CYBMUJFWSA-N 1 2 303.410 2.123 10 0 DEAELO CCn1cc[nH+]c1CSCCN1C(=O)c2ccccc2C1=O ZINC000083631569 267379732 /nfs/dbraw/zinc/37/97/32/267379732.db2.gz GKVDOUMBPLPYDG-UHFFFAOYSA-N 1 2 315.398 2.432 10 0 DEAELO COc1cccc(C2=CC[N@H+](CCCS(C)(=O)=O)CC2)c1 ZINC000363475892 269065479 /nfs/dbraw/zinc/06/54/79/269065479.db2.gz RKNMDRLIPQUIQE-UHFFFAOYSA-N 1 2 309.431 2.219 10 0 DEAELO COc1cccc(C2=CC[N@@H+](CCCS(C)(=O)=O)CC2)c1 ZINC000363475892 269065482 /nfs/dbraw/zinc/06/54/82/269065482.db2.gz RKNMDRLIPQUIQE-UHFFFAOYSA-N 1 2 309.431 2.219 10 0 DEAELO CC(C)(C)c1nnsc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000189263220 277280418 /nfs/dbraw/zinc/28/04/18/277280418.db2.gz DSAFRMXAFSRUCQ-NSHDSACASA-N 1 2 308.451 2.146 10 0 DEAELO CC(C)(C)c1nnsc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000189263220 277280419 /nfs/dbraw/zinc/28/04/19/277280419.db2.gz DSAFRMXAFSRUCQ-NSHDSACASA-N 1 2 308.451 2.146 10 0 DEAELO C[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)C3)C[C@H]1n1cc[nH+]c1 ZINC000188658109 277747889 /nfs/dbraw/zinc/74/78/89/277747889.db2.gz GGFBLWOATLVYBF-MLGOLLRUSA-N 1 2 324.384 2.101 10 0 DEAELO CCn1cc[nH+]c1CS(=O)(=O)Cc1csc(C2CC2)n1 ZINC000134576438 282046194 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DEAELO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21)C1CC1 ZINC000249733431 298250678 /nfs/dbraw/zinc/25/06/78/298250678.db2.gz CANQRHOOADKKOA-KBRIMQKVSA-N 1 2 306.450 2.419 10 0 DEAELO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000183618624 300314123 /nfs/dbraw/zinc/31/41/23/300314123.db2.gz CHLASWDSYVOBME-DTWKUNHWSA-N 1 2 314.307 2.118 10 0 DEAELO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000183618624 300314125 /nfs/dbraw/zinc/31/41/25/300314125.db2.gz CHLASWDSYVOBME-DTWKUNHWSA-N 1 2 314.307 2.118 10 0 DEAELO C[C@H]1C[C@H](C(=O)NC2CCN(c3cccc[nH+]3)CC2)CCC1=O ZINC000332755409 325761830 /nfs/dbraw/zinc/76/18/30/325761830.db2.gz IYIJYTONWOPHCG-UONOGXRCSA-N 1 2 315.417 2.172 10 0 DEAELO c1ccc(-c2nnc([C@H]3CCC[N@H+]3C[C@@H]3COCCO3)[nH]2)cc1 ZINC000574898180 326198198 /nfs/dbraw/zinc/19/81/98/326198198.db2.gz IIUQZRCJSRBZNM-HUUCEWRRSA-N 1 2 314.389 2.024 10 0 DEAELO c1ccc(-c2nnc([C@H]3CCC[N@@H+]3C[C@@H]3COCCO3)[nH]2)cc1 ZINC000574898180 326198201 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DEAELO CCCn1cc(Br)cc1C(=O)NCc1[nH]cc[nH+]1 ZINC000080588158 192170421 /nfs/dbraw/zinc/17/04/21/192170421.db2.gz DLYUVSBNDQACMP-UHFFFAOYSA-N 1 2 311.183 2.314 10 0 DEAELO Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1ccc(F)cc1F)C2 ZINC000220614043 539727724 /nfs/dbraw/zinc/72/77/24/539727724.db2.gz CFAPFHCFBWMLBQ-SNVBAGLBSA-N 1 2 305.328 2.418 10 0 DEAELO Cc1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1ccc(F)cc1F)CC2 ZINC000220614043 539727728 /nfs/dbraw/zinc/72/77/28/539727728.db2.gz CFAPFHCFBWMLBQ-SNVBAGLBSA-N 1 2 305.328 2.418 10 0 DEAELO COc1ccc(OC)c(NC(=O)[C@@H]2CCc3[nH+]c(C)[nH]c3C2)c1 ZINC000220600429 539728030 /nfs/dbraw/zinc/72/80/30/539728030.db2.gz FOGFPVWRTAOWSD-LLVKDONJSA-N 1 2 315.373 2.479 10 0 DEAELO COc1ccc(OC)c(NC(=O)[C@@H]2CCc3[nH]c(C)[nH+]c3C2)c1 ZINC000220600429 539728033 /nfs/dbraw/zinc/72/80/33/539728033.db2.gz FOGFPVWRTAOWSD-LLVKDONJSA-N 1 2 315.373 2.479 10 0 DEAELO COC(=O)C1CC[NH+](Cc2nc3cc(F)c(F)cc3[nH]2)CC1 ZINC000071675635 191006031 /nfs/dbraw/zinc/00/60/31/191006031.db2.gz PIRUREJYSNPBRF-UHFFFAOYSA-N 1 2 309.316 2.226 10 0 DEAELO C[NH2+][C@@H](c1cc(C)cnc1N)c1ncccc1Br ZINC000140397876 186027049 /nfs/dbraw/zinc/02/70/49/186027049.db2.gz SZLFOSXINWEJHG-NSHDSACASA-N 1 2 307.195 2.439 10 0 DEAELO Cc1cc(NC(=O)[C@@H]2CC[C@H](C)O2)n(-c2cc(C)[nH+]c(C)n2)n1 ZINC000150695795 186057315 /nfs/dbraw/zinc/05/73/15/186057315.db2.gz QYUIBVURPJODKE-AAEUAGOBSA-N 1 2 315.377 2.094 10 0 DEAELO C[C@H]1CN(c2ccc(CNC(=O)N(C)C3CCC3)c[nH+]2)CCO1 ZINC000073624101 290893010 /nfs/dbraw/zinc/89/30/10/290893010.db2.gz HXVLJSMGGDOPST-ZDUSSCGKSA-N 1 2 318.421 2.001 10 0 DEAELO CC(C)C[C@H]1[NH2+]C2(CCCC2)C(=O)N1C1CCS(=O)CC1 ZINC000159630965 186132008 /nfs/dbraw/zinc/13/20/08/186132008.db2.gz IKJMYMFJWAYEHX-GJGORFQUSA-N 1 2 312.479 2.014 10 0 DEAELO CC(C)c1cc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)nn1C ZINC000173412668 186181173 /nfs/dbraw/zinc/18/11/73/186181173.db2.gz IMAPDVCXYQPWDZ-UHFFFAOYSA-N 1 2 324.388 2.054 10 0 DEAELO CC1(C)C[N@H+](CCNC(=O)Nc2ccc3cc[nH]c3c2)CCO1 ZINC000194251306 186273256 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CO[C@H](C)[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000526963848 269508753 /nfs/dbraw/zinc/50/87/53/269508753.db2.gz YQICFMUEFSZGMS-GUTXKFCHSA-N 1 2 316.405 2.232 10 0 DEAELO C[C@@H](c1ccccn1)[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000177129499 274278398 /nfs/dbraw/zinc/27/83/98/274278398.db2.gz CLNNRVQSOHFHFI-QFBILLFUSA-N 1 2 311.429 2.494 10 0 DEAELO CC(C)c1nnc2n1CC[N@@H+](Cc1c[nH]c3nccnc13)[C@H]2C ZINC000367955335 276077306 /nfs/dbraw/zinc/07/73/06/276077306.db2.gz HSVWZQQJJWIYHI-NSHDSACASA-N 1 2 311.393 2.201 10 0 DEAELO CC(C)c1nnc2n1CC[N@H+](Cc1c[nH]c3nccnc13)[C@H]2C ZINC000367955335 276077307 /nfs/dbraw/zinc/07/73/07/276077307.db2.gz HSVWZQQJJWIYHI-NSHDSACASA-N 1 2 311.393 2.201 10 0 DEAELO CC(C)n1nnnc1C[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000177396536 278155507 /nfs/dbraw/zinc/15/55/07/278155507.db2.gz PBSRLVGBTARLOE-ZDUSSCGKSA-N 1 2 300.410 2.095 10 0 DEAELO CC(C)n1nnnc1C[N@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000177396536 278155509 /nfs/dbraw/zinc/15/55/09/278155509.db2.gz 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CC1(C)C(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)C1(C)C ZINC000073551783 280877481 /nfs/dbraw/zinc/87/74/81/280877481.db2.gz LFOZNPCZTOOONH-CQSZACIVSA-N 1 2 308.466 2.382 10 0 DEAELO Cc1ccccc1[C@H](C)CC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000172752161 281378911 /nfs/dbraw/zinc/37/89/11/281378911.db2.gz ZAZWJKQFWIDGTL-SJORKVTESA-N 1 2 316.445 2.422 10 0 DEAELO CC[C@H](O)C[N@H+](Cc1nnnn1C(C)C)Cc1ccccc1 ZINC000134492416 282043166 /nfs/dbraw/zinc/04/31/66/282043166.db2.gz OLXODBKGNUQLDF-HNNXBMFYSA-N 1 2 303.410 2.027 10 0 DEAELO CC[C@H](O)C[N@@H+](Cc1nnnn1C(C)C)Cc1ccccc1 ZINC000134492416 282043169 /nfs/dbraw/zinc/04/31/69/282043169.db2.gz OLXODBKGNUQLDF-HNNXBMFYSA-N 1 2 303.410 2.027 10 0 DEAELO Cn1cccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245700794 294379940 /nfs/dbraw/zinc/37/99/40/294379940.db2.gz QSAKGUKTAPWVGB-HOCLYGCPSA-N 1 2 319.355 2.479 10 0 DEAELO Cn1cccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245700794 294379944 /nfs/dbraw/zinc/37/99/44/294379944.db2.gz 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C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCC2)C(=O)Nc1ccccc1 ZINC000173622096 287053005 /nfs/dbraw/zinc/05/30/05/287053005.db2.gz WHOTYBWAQYJTIS-QWHCGFSZSA-N 1 2 313.405 2.292 10 0 DEAELO Cc1nc(=O)n(Cc2c[nH+]cn2C2CC2)c(C)c1Br ZINC000129216305 196030228 /nfs/dbraw/zinc/03/02/28/196030228.db2.gz UVIBVHRUQABIRW-UHFFFAOYSA-N 1 2 323.194 2.202 10 0 DEAELO C[C@H]([NH2+]Cc1cccc(Br)n1)c1nnc2n1CCC2 ZINC000131084767 196138639 /nfs/dbraw/zinc/13/86/39/196138639.db2.gz JCQPMJABSWMTFK-VIFPVBQESA-N 1 2 322.210 2.233 10 0 DEAELO COc1cc(OC)cc(C(=O)NCc2[nH+]ccn2CC(C)C)c1 ZINC000131173239 196146617 /nfs/dbraw/zinc/14/66/17/196146617.db2.gz LLKJDEOHQKGSKE-UHFFFAOYSA-N 1 2 317.389 2.486 10 0 DEAELO CCNc1nc(-n2ccnc2)nc(NCC[C@H](C)SC)[nH+]1 ZINC000131651950 196187976 /nfs/dbraw/zinc/18/79/76/196187976.db2.gz HEIYVHALXNLXMB-JTQLQIEISA-N 1 2 307.427 2.043 10 0 DEAELO CCN(c1nc(NC)[nH+]cc1Br)[C@@H](C)COC ZINC000131761060 196196909 /nfs/dbraw/zinc/19/69/09/196196909.db2.gz ADBLJOMXEVQSDR-QMMMGPOBSA-N 1 2 303.204 2.142 10 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ODVJQAZFFIBIQQ-AWEZNQCLSA-N 1 2 313.398 2.497 10 0 DEAELO CC(=O)c1csc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000291180526 222200663 /nfs/dbraw/zinc/20/06/63/222200663.db2.gz ODVJQAZFFIBIQQ-AWEZNQCLSA-N 1 2 313.398 2.497 10 0 DEAELO Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000194858885 424878417 /nfs/dbraw/zinc/87/84/17/424878417.db2.gz HQYOYNPOIBAZMX-JTQLQIEISA-N 1 2 302.378 2.172 10 0 DEAELO CCn1nccc1[C@@H]1OCC[C@H]1CNc1cc[nH+]c(C(C)C)n1 ZINC000328626473 424901608 /nfs/dbraw/zinc/90/16/08/424901608.db2.gz LSYKUKFPQNNXEG-XJKSGUPXSA-N 1 2 315.421 3.006 10 0 DEAELO CCn1cc([C@H]2OCCC[C@@H]2Nc2cc[nH+]c(C3CC3)n2)cn1 ZINC000328631252 424901822 /nfs/dbraw/zinc/90/18/22/424901822.db2.gz QRPBTIPVRNMXJR-GOEBONIOSA-N 1 2 313.405 2.903 10 0 DEAELO CO[C@@H](C)[C@H](C)Nc1nc(N[C@@H](C)[C@H](C)OC)c(Cl)c[nH+]1 ZINC000467011040 425107708 /nfs/dbraw/zinc/10/77/08/425107708.db2.gz QSQZZOPEPMPOLS-NAKRPEOUSA-N 1 2 316.833 2.801 10 0 DEAELO Cc1nc(N2CC(n3cccn3)C2)c(Br)c(C)[nH+]1 ZINC000663570582 425188828 /nfs/dbraw/zinc/18/88/28/425188828.db2.gz LOFBHFVWDSRERL-UHFFFAOYSA-N 1 2 308.183 2.114 10 0 DEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1CCCO[C@@H]1C)C2 ZINC000191642666 278074693 /nfs/dbraw/zinc/07/46/93/278074693.db2.gz XUIMILBFMUMFGF-OLZOCXBDSA-N 1 2 305.422 2.243 10 0 DEAELO CC(C)c1nnc(CN2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1C ZINC000245724683 278099422 /nfs/dbraw/zinc/09/94/22/278099422.db2.gz VCRGXMATTBINCB-ZIAGYGMSSA-N 1 2 302.426 2.218 10 0 DEAELO O=C(Nc1nc2c(cccc2Cl)[nH]1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263164754 280056491 /nfs/dbraw/zinc/05/64/91/280056491.db2.gz FBPIBVCJDNLEGR-MRVPVSSYSA-N 1 2 300.696 2.152 10 0 DEAELO Cc1[nH+]c2ccccc2n1CCNC(=O)NCc1cscn1 ZINC000051674078 281470765 /nfs/dbraw/zinc/47/07/65/281470765.db2.gz ICMOZBURHKUJJD-UHFFFAOYSA-N 1 2 315.402 2.301 10 0 DEAELO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000248640225 297099964 /nfs/dbraw/zinc/09/99/64/297099964.db2.gz NJWHHGSWAVVXRK-KOLCDFICSA-N 1 2 312.772 2.493 10 0 DEAELO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000248640225 297099966 /nfs/dbraw/zinc/09/99/66/297099966.db2.gz NJWHHGSWAVVXRK-KOLCDFICSA-N 1 2 312.772 2.493 10 0 DEAELO C[C@H]1CCN(C(=O)NCCOCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000573859644 326098888 /nfs/dbraw/zinc/09/88/88/326098888.db2.gz BQMYXKJFTVMVAA-GOEBONIOSA-N 1 2 320.437 2.292 10 0 DEAELO O=C(Cc1ccc2c[nH]nc2c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000583102008 337240836 /nfs/dbraw/zinc/24/08/36/337240836.db2.gz JWYBIHBAAVJJNT-UHFFFAOYSA-N 1 2 309.373 2.235 10 0 DEAELO O=C1[C@@H]2C[C@@H]2[C@@H]2CC[C@@H](c3[nH+]cc4c(Cl)nccn43)CN12 ZINC000584626728 337376073 /nfs/dbraw/zinc/37/60/73/337376073.db2.gz YBPJLLULPWLPPM-YTWAJWBKSA-N 1 2 302.765 2.107 10 0 DEAELO C[C@H]1COCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000194055551 534042746 /nfs/dbraw/zinc/04/27/46/534042746.db2.gz UQWCWBARAQVGMM-GOEBONIOSA-N 1 2 317.433 2.361 10 0 DEAELO CC(C)CC1(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)CCC1 ZINC000157225582 519629868 /nfs/dbraw/zinc/62/98/68/519629868.db2.gz GNCBAVCVTHRNMW-OAHLLOKOSA-N 1 2 311.470 2.223 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC(C)(C)CCO)C2 ZINC000365096587 519868975 /nfs/dbraw/zinc/86/89/75/519868975.db2.gz BZOIMZHZBBTVDZ-GFCCVEGCSA-N 1 2 307.438 2.163 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC(C)(C)CCO)CC2 ZINC000365096587 519868976 /nfs/dbraw/zinc/86/89/76/519868976.db2.gz BZOIMZHZBBTVDZ-GFCCVEGCSA-N 1 2 307.438 2.163 10 0 DEAELO C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000246034712 526172893 /nfs/dbraw/zinc/17/28/93/526172893.db2.gz USLSSQDIAVGBRB-VXGBXAGGSA-N 1 2 317.418 2.140 10 0 DEAELO C[C@H](C(=O)Nc1ncccn1)[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000246034712 526172899 /nfs/dbraw/zinc/17/28/99/526172899.db2.gz USLSSQDIAVGBRB-VXGBXAGGSA-N 1 2 317.418 2.140 10 0 DEAELO O=C(Cc1ccc(O)cc1Cl)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000156734629 527241057 /nfs/dbraw/zinc/24/10/57/527241057.db2.gz NBHYNROYZSCXGX-CYBMUJFWSA-N 1 2 319.792 2.476 10 0 DEAELO CCC[C@](C)(O)C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189413142 528471385 /nfs/dbraw/zinc/47/13/85/528471385.db2.gz NJJSNNUXQBEBMP-KRWDZBQOSA-N 1 2 324.852 2.365 10 0 DEAELO CCC[C@](C)(O)C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189413142 528471389 /nfs/dbraw/zinc/47/13/89/528471389.db2.gz NJJSNNUXQBEBMP-KRWDZBQOSA-N 1 2 324.852 2.365 10 0 DEAELO CCCCOC[C@H](O)C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000195180009 528626494 /nfs/dbraw/zinc/62/64/94/528626494.db2.gz LRGWVBRUKHPPFU-CQSZACIVSA-N 1 2 323.437 2.484 10 0 DEAELO CCCC[C@@H](C(=O)OC)[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189701402 528748737 /nfs/dbraw/zinc/74/87/37/528748737.db2.gz TWQGKLXTONROJT-HNNXBMFYSA-N 1 2 320.437 2.141 10 0 DEAELO CC(C)n1cnc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000366966103 535099427 /nfs/dbraw/zinc/09/94/27/535099427.db2.gz LAIRFJVGTOHNQL-AWEZNQCLSA-N 1 2 315.421 2.292 10 0 DEAELO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190662717 535331045 /nfs/dbraw/zinc/33/10/45/535331045.db2.gz PFJJJIRFRJEPHF-CHWSQXEVSA-N 1 2 321.469 2.240 10 0 DEAELO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000190662717 535331052 /nfs/dbraw/zinc/33/10/52/535331052.db2.gz PFJJJIRFRJEPHF-CHWSQXEVSA-N 1 2 321.469 2.240 10 0 DEAELO CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000190662717 535331056 /nfs/dbraw/zinc/33/10/56/535331056.db2.gz PFJJJIRFRJEPHF-CHWSQXEVSA-N 1 2 321.469 2.240 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC1(C)CCOCC1)C2 ZINC000372403860 535382490 /nfs/dbraw/zinc/38/24/90/535382490.db2.gz IMKUMWYBAJUTGX-GFCCVEGCSA-N 1 2 305.422 2.323 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC1(C)CCOCC1)CC2 ZINC000372403860 535382491 /nfs/dbraw/zinc/38/24/91/535382491.db2.gz IMKUMWYBAJUTGX-GFCCVEGCSA-N 1 2 305.422 2.323 10 0 DEAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc4c(C)cccn34)[C@@H]2C1 ZINC000246491084 536701016 /nfs/dbraw/zinc/70/10/16/536701016.db2.gz PFHXZNDTFJJLQM-ZACQAIPSSA-N 1 2 315.417 2.411 10 0 DEAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc4c(C)cccn34)[C@@H]2C1 ZINC000246491084 536701020 /nfs/dbraw/zinc/70/10/20/536701020.db2.gz PFHXZNDTFJJLQM-ZACQAIPSSA-N 1 2 315.417 2.411 10 0 DEAELO CO[C@@H]1CC[C@@H]2OCCN(Cc3c[nH+]c4c(C)cccn34)[C@@H]2C1 ZINC000246491084 536701025 /nfs/dbraw/zinc/70/10/25/536701025.db2.gz PFHXZNDTFJJLQM-ZACQAIPSSA-N 1 2 315.417 2.411 10 0 DEAELO Cn1ncc(C[NH2+]Cc2ccc(NC(=O)OC(C)(C)C)cc2)n1 ZINC000309725044 625543162 /nfs/dbraw/zinc/54/31/62/625543162.db2.gz PHKBAYABQABHNK-UHFFFAOYSA-N 1 2 317.393 2.452 10 0 DEAELO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cn1c2ccccc2oc1=O ZINC000176072095 624612908 /nfs/dbraw/zinc/61/29/08/624612908.db2.gz LYOSHAOGCVVJSR-AWEZNQCLSA-N 1 2 312.373 2.222 10 0 DEAELO Cc1nccn1C[C@@H]1CCC[N@H+]1Cn1c2ccccc2oc1=O ZINC000176072095 624612909 /nfs/dbraw/zinc/61/29/09/624612909.db2.gz LYOSHAOGCVVJSR-AWEZNQCLSA-N 1 2 312.373 2.222 10 0 DEAELO O=C(NC[C@]1(O)CCc2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000752253980 639166688 /nfs/dbraw/zinc/16/66/88/639166688.db2.gz UXXVUDIEEOKEGG-GOSISDBHSA-N 1 2 322.368 2.290 10 0 DEAELO O=C(N[C@H]1Cc2ccc(Cl)cc2C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000800579954 645289649 /nfs/dbraw/zinc/28/96/49/645289649.db2.gz UTZJWJIYRAWQAC-DOMZBBRYSA-N 1 2 315.804 2.383 10 0 DEAELO CN(CCC[N@@H+]1CCO[C@@H](C(F)F)C1)C(=O)OC(C)(C)C ZINC000801563378 645416100 /nfs/dbraw/zinc/41/61/00/645416100.db2.gz OZHFIXZVTCRGAG-LLVKDONJSA-N 1 2 308.369 2.209 10 0 DEAELO CN(CCC[N@H+]1CCO[C@@H](C(F)F)C1)C(=O)OC(C)(C)C ZINC000801563378 645416106 /nfs/dbraw/zinc/41/61/06/645416106.db2.gz OZHFIXZVTCRGAG-LLVKDONJSA-N 1 2 308.369 2.209 10 0 DEAELO COc1ccc(COCC[N@@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801568532 645417928 /nfs/dbraw/zinc/41/79/28/645417928.db2.gz ZZEMHWOKTXASDS-CQSZACIVSA-N 1 2 301.333 2.178 10 0 DEAELO COc1ccc(COCC[N@H+]2CCO[C@@H](C(F)F)C2)cc1 ZINC000801568532 645417932 /nfs/dbraw/zinc/41/79/32/645417932.db2.gz ZZEMHWOKTXASDS-CQSZACIVSA-N 1 2 301.333 2.178 10 0 DEAELO CC(=O)CC[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000806658498 645859197 /nfs/dbraw/zinc/85/91/97/645859197.db2.gz UJLNUSNPJUKJFC-UHFFFAOYSA-N 1 2 318.461 2.326 10 0 DEAELO Cc1nnc(C[NH+]2CCC(O)(c3ccccc3)CC2)n1C1CC1 ZINC000185499000 649532641 /nfs/dbraw/zinc/53/26/41/649532641.db2.gz MMSKAXKCRXXKNU-UHFFFAOYSA-N 1 2 312.417 2.405 10 0 DEAELO CC[N@@H+]1CCCC[C@@H]1C(=O)Oc1cc(C(=O)N(C)C)ccc1C ZINC000123786379 684128288 /nfs/dbraw/zinc/12/82/88/684128288.db2.gz LLVJFQHJTMCYTM-OAHLLOKOSA-N 1 2 318.417 2.477 10 0 DEAELO CC[N@H+]1CCCC[C@@H]1C(=O)Oc1cc(C(=O)N(C)C)ccc1C ZINC000123786379 684128290 /nfs/dbraw/zinc/12/82/90/684128290.db2.gz LLVJFQHJTMCYTM-OAHLLOKOSA-N 1 2 318.417 2.477 10 0 DEAELO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188084688 684349432 /nfs/dbraw/zinc/34/94/32/684349432.db2.gz FACMUOBLUGBWPI-QGZVFWFLSA-N 1 2 309.369 2.384 10 0 DEAELO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000188084688 684349436 /nfs/dbraw/zinc/34/94/36/684349436.db2.gz FACMUOBLUGBWPI-QGZVFWFLSA-N 1 2 309.369 2.384 10 0 DEAELO C[C@@H]1C[N@H+](C)C[C@H](c2nc(-c3cc(C4CC4)ccn3)no2)O1 ZINC000886082603 692000137 /nfs/dbraw/zinc/00/01/37/692000137.db2.gz UXSQLZBCWHVHGA-QMTHXVAHSA-N 1 2 300.362 2.401 10 0 DEAELO C[C@@H]1C[N@@H+](C)C[C@H](c2nc(-c3cc(C4CC4)ccn3)no2)O1 ZINC000886082603 692000140 /nfs/dbraw/zinc/00/01/40/692000140.db2.gz UXSQLZBCWHVHGA-QMTHXVAHSA-N 1 2 300.362 2.401 10 0 DEAELO C[NH+](C)Cc1csc(CNC(=O)c2csc(Cl)n2)n1 ZINC000722404249 778708594 /nfs/dbraw/zinc/70/85/94/778708594.db2.gz KQDYWUDUFLSMDS-UHFFFAOYSA-N 1 2 316.839 2.245 10 0 DEAELO COc1ccc(-c2nc(N)sc2C[NH+]2CCOCC2)cc1 ZINC000095628473 185382943 /nfs/dbraw/zinc/38/29/43/185382943.db2.gz OKACHJDUARTYMF-UHFFFAOYSA-N 1 2 305.403 2.233 10 0 DEAELO Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1[nH]cc[nH+]1 ZINC000096767319 185386798 /nfs/dbraw/zinc/38/67/98/185386798.db2.gz FJPFSPHAUPKCRR-UHFFFAOYSA-N 1 2 307.419 2.494 10 0 DEAELO CCc1oc(C(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)cc1C ZINC000328634312 231271477 /nfs/dbraw/zinc/27/14/77/231271477.db2.gz MOIAVSNALGLWBW-HNNXBMFYSA-N 1 2 320.433 2.333 10 0 DEAELO CCc1oc(C(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)cc1C ZINC000328634312 231271481 /nfs/dbraw/zinc/27/14/81/231271481.db2.gz MOIAVSNALGLWBW-HNNXBMFYSA-N 1 2 320.433 2.333 10 0 DEAELO CCc1ocnc1C(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000328642364 231279563 /nfs/dbraw/zinc/27/95/63/231279563.db2.gz DTEZIWOVLPBDMX-CYBMUJFWSA-N 1 2 303.337 2.163 10 0 DEAELO C[C@@](O)(CC(=O)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000328682794 231304948 /nfs/dbraw/zinc/30/49/48/231304948.db2.gz OXESIHOMNOETEZ-DOTOQJQBSA-N 1 2 322.836 2.364 10 0 DEAELO Nc1nc(CC2CC2)[nH+]c(C2CC2)c1I ZINC000087583591 185228991 /nfs/dbraw/zinc/22/89/91/185228991.db2.gz SNXJIWJRMOTBLH-UHFFFAOYSA-N 1 2 315.158 2.493 10 0 DEAELO CNc1[nH+]cnc2c1cnn2-c1ccc(Br)cn1 ZINC000087847123 185233429 /nfs/dbraw/zinc/23/34/29/185233429.db2.gz JEJZOUZHCQRKAV-UHFFFAOYSA-N 1 2 305.139 2.015 10 0 DEAELO CCn1c[nH+]cc1[C@@H](Nc1ccc(Br)cc1)C(N)=O ZINC000090175437 185284881 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CCOC(=O)C[NH+]1CCC(N2c3ccccc3C[C@@H]2C)CC1 ZINC000610212914 361368135 /nfs/dbraw/zinc/36/81/35/361368135.db2.gz ANLLYVUMCQKHFS-AWEZNQCLSA-N 1 2 302.418 2.465 10 0 DEAELO c1ccc(OCc2n[nH]c(C[NH2+]C[C@H]3CCC=CO3)n2)cc1 ZINC000194714269 201276496 /nfs/dbraw/zinc/27/64/96/201276496.db2.gz QENBVOLMOCCQAH-CQSZACIVSA-N 1 2 300.362 2.166 10 0 DEAELO c1ccc(OCc2nnc(C[NH2+]C[C@H]3CCC=CO3)[nH]2)cc1 ZINC000194714269 201276499 /nfs/dbraw/zinc/27/64/99/201276499.db2.gz QENBVOLMOCCQAH-CQSZACIVSA-N 1 2 300.362 2.166 10 0 DEAELO CCN1C[C@H](C[N@H+](C)[C@@H](C(=O)OC)C2CC2)Oc2ccccc21 ZINC000611660055 361653818 /nfs/dbraw/zinc/65/38/18/361653818.db2.gz MTWAISFDNPXVME-WMLDXEAASA-N 1 2 318.417 2.157 10 0 DEAELO CCN1C[C@H](C[N@@H+](C)[C@@H](C(=O)OC)C2CC2)Oc2ccccc21 ZINC000611660055 361653821 /nfs/dbraw/zinc/65/38/21/361653821.db2.gz MTWAISFDNPXVME-WMLDXEAASA-N 1 2 318.417 2.157 10 0 DEAELO c1ccc2c(c1)CN(c1cc[nH+]c(N3C[C@H]4CC[C@@H](C3)O4)n1)C2 ZINC000624010138 365252592 /nfs/dbraw/zinc/25/25/92/365252592.db2.gz 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CC[NH2+][C@]1(C(=O)OCC)CC[C@H](Sc2cc(C)nn2C)C1 ZINC000093852429 193318754 /nfs/dbraw/zinc/31/87/54/193318754.db2.gz FSLCWIRLUZMWNK-SWLSCSKDSA-N 1 2 311.451 2.285 10 0 DEAELO COC(=O)[C@@]1([NH2+]C2CC2)CC[C@@H](Sc2ncc(C)cn2)C1 ZINC000093852041 193319082 /nfs/dbraw/zinc/31/90/82/193319082.db2.gz ZNZOBTFMPHFLSX-IUODEOHRSA-N 1 2 307.419 2.093 10 0 DEAELO Cc1nc([C@H]2C[N@@H+](C)CCN2C)nc(Cl)c1Br ZINC000093893112 193324033 /nfs/dbraw/zinc/32/40/33/193324033.db2.gz KTYZJXNTFHAZRZ-MRVPVSSYSA-N 1 2 319.634 2.119 10 0 DEAELO Cc1nc([C@H]2C[N@H+](C)CCN2C)nc(Cl)c1Br ZINC000093893112 193324035 /nfs/dbraw/zinc/32/40/35/193324035.db2.gz KTYZJXNTFHAZRZ-MRVPVSSYSA-N 1 2 319.634 2.119 10 0 DEAELO CCC[N@@H+]1CCO[C@@H](c2ncc(Br)c(NC)n2)C1 ZINC000093921964 193328731 /nfs/dbraw/zinc/32/87/31/193328731.db2.gz UVXCMWFSBLKUGT-SNVBAGLBSA-N 1 2 315.215 2.064 10 0 DEAELO CCC[N@H+]1CCO[C@@H](c2ncc(Br)c(NC)n2)C1 ZINC000093921964 193328733 /nfs/dbraw/zinc/32/87/33/193328733.db2.gz UVXCMWFSBLKUGT-SNVBAGLBSA-N 1 2 315.215 2.064 10 0 DEAELO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cn(C(C)(C)C)nn1 ZINC000453606358 245215693 /nfs/dbraw/zinc/21/56/93/245215693.db2.gz DOGHZELYZICNAU-UHFFFAOYSA-N 1 2 304.442 2.425 10 0 DEAELO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cn(C(C)(C)C)nn1 ZINC000453606358 245215705 /nfs/dbraw/zinc/21/57/05/245215705.db2.gz DOGHZELYZICNAU-UHFFFAOYSA-N 1 2 304.442 2.425 10 0 DEAELO Cc1cc(C[NH+]2CCN(c3nc(CC(C)C)ns3)CC2)on1 ZINC000274577262 211730039 /nfs/dbraw/zinc/73/00/39/211730039.db2.gz GCKFNZZIRHGXKD-UHFFFAOYSA-N 1 2 321.450 2.355 10 0 DEAELO C[C@@H](C(=O)Nc1ccc(N(C)C)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022130998 182310065 /nfs/dbraw/zinc/31/00/65/182310065.db2.gz QJMMNDHFVCQSEI-MCIONIFRSA-N 1 2 305.422 2.189 10 0 DEAELO Cn1cc[nH+]c1CCNC(=O)c1ccc(Br)s1 ZINC000040639938 183113387 /nfs/dbraw/zinc/11/33/87/183113387.db2.gz BOAWHFDRROUDMA-UHFFFAOYSA-N 1 2 314.208 2.217 10 0 DEAELO CCCNc1[nH+]cnc(N(C)c2ccccc2C(=O)OC)c1N ZINC000040707940 183120465 /nfs/dbraw/zinc/12/04/65/183120465.db2.gz 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309.479 2.174 10 0 DEAELO C[C@@H]1C[N@@H+](CCN(C)Cc2nc3c(s2)CCCC3)CCO1 ZINC000191525155 145060355 /nfs/dbraw/zinc/06/03/55/145060355.db2.gz HDIAVEMLHKOSLA-CYBMUJFWSA-N 1 2 309.479 2.174 10 0 DEAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3nc4ccccc4n3C)[C@@H]2C1 ZINC000246473163 145103574 /nfs/dbraw/zinc/10/35/74/145103574.db2.gz JMRWHLCMHIBLNW-KBRIMQKVSA-N 1 2 315.417 2.342 10 0 DEAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3nc4ccccc4n3C)[C@@H]2C1 ZINC000246473163 145103576 /nfs/dbraw/zinc/10/35/76/145103576.db2.gz JMRWHLCMHIBLNW-KBRIMQKVSA-N 1 2 315.417 2.342 10 0 DEAELO C[C@H](C[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1)CS(C)(=O)=O ZINC000246708251 145111281 /nfs/dbraw/zinc/11/12/81/145111281.db2.gz ZYJWHCCHQINQED-YCPHGPKFSA-N 1 2 311.447 2.129 10 0 DEAELO C[C@H](C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1)CS(C)(=O)=O ZINC000246708251 145111283 /nfs/dbraw/zinc/11/12/83/145111283.db2.gz ZYJWHCCHQINQED-YCPHGPKFSA-N 1 2 311.447 2.129 10 0 DEAELO C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1[C@H](C)COC[C@H]1C ZINC000246819614 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Cc1cc(NC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)cc[nH+]1 ZINC000366933649 404873656 /nfs/dbraw/zinc/87/36/56/404873656.db2.gz LRWRFUPUBVFTOI-GFCCVEGCSA-N 1 2 313.361 2.094 10 0 DEAELO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377911445 404851279 /nfs/dbraw/zinc/85/12/79/404851279.db2.gz KLTQWRPKHMVFFT-XHSDSOJGSA-N 1 2 304.390 2.276 10 0 DEAELO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000377911445 404851283 /nfs/dbraw/zinc/85/12/83/404851283.db2.gz KLTQWRPKHMVFFT-XHSDSOJGSA-N 1 2 304.390 2.276 10 0 DEAELO Cc1csc(NC(=O)C[N@@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000436253898 405063965 /nfs/dbraw/zinc/06/39/65/405063965.db2.gz RDABPPAETTYODO-CYBMUJFWSA-N 1 2 305.403 2.055 10 0 DEAELO Cc1csc(NC(=O)C[N@H+](C)[C@H](CO)c2ccccc2)n1 ZINC000436253898 405063967 /nfs/dbraw/zinc/06/39/67/405063967.db2.gz RDABPPAETTYODO-CYBMUJFWSA-N 1 2 305.403 2.055 10 0 DEAELO CC(C)c1nc(N2CCC[C@]3(CCCOC3)C2)nc(N(C)C)[nH+]1 ZINC000408058692 405101562 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CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@]1(C)CCOC1)C2 ZINC000408197665 405135250 /nfs/dbraw/zinc/13/52/50/405135250.db2.gz JHSUBTXAIKQDMM-SJCJKPOMSA-N 1 2 305.422 2.038 10 0 DEAELO C[C@H]1C[C@H](NC(=O)c2cc(F)c(O)c(Cl)c2)CC[N@@H+]1C ZINC000408412368 405200512 /nfs/dbraw/zinc/20/05/12/405200512.db2.gz AKJCRMUNVCYCKC-WCBMZHEXSA-N 1 2 300.761 2.397 10 0 DEAELO C[C@H]1C[C@H](NC(=O)c2cc(F)c(O)c(Cl)c2)CC[N@H+]1C ZINC000408412368 405200519 /nfs/dbraw/zinc/20/05/19/405200519.db2.gz AKJCRMUNVCYCKC-WCBMZHEXSA-N 1 2 300.761 2.397 10 0 DEAELO CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@]1(C)CCCO1)C2 ZINC000408444088 405208801 /nfs/dbraw/zinc/20/88/01/405208801.db2.gz SUILPMAUVZRYPI-SJCJKPOMSA-N 1 2 305.422 2.181 10 0 DEAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000420991152 405422207 /nfs/dbraw/zinc/42/22/07/405422207.db2.gz HWZJDGHKSXSSQM-MRXNPFEDSA-N 1 2 316.401 2.207 10 0 DEAELO CC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000420991152 405422209 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ZINC000459335713 405860992 /nfs/dbraw/zinc/86/09/92/405860992.db2.gz IFPMJJRMKAMGAQ-UHFFFAOYSA-N 1 2 315.421 2.022 10 0 DEAELO CCn1nncc1C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000459335713 405860998 /nfs/dbraw/zinc/86/09/98/405860998.db2.gz IFPMJJRMKAMGAQ-UHFFFAOYSA-N 1 2 315.421 2.022 10 0 DEAELO CCn1nncc1C[N@H+](CCc1ccccn1)Cc1cccnc1 ZINC000459442671 405904366 /nfs/dbraw/zinc/90/43/66/405904366.db2.gz MMOJKAVQAMLFAH-UHFFFAOYSA-N 1 2 322.416 2.333 10 0 DEAELO CCn1nncc1C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000459442671 405904376 /nfs/dbraw/zinc/90/43/76/405904376.db2.gz MMOJKAVQAMLFAH-UHFFFAOYSA-N 1 2 322.416 2.333 10 0 DEAELO Cn1ccc(C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 ZINC000535784464 406238271 /nfs/dbraw/zinc/23/82/71/406238271.db2.gz RJUDCQCSYDVXFE-UHFFFAOYSA-N 1 2 324.428 2.477 10 0 DEAELO Cn1ccc(C[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)n1 ZINC000535784464 406238275 /nfs/dbraw/zinc/23/82/75/406238275.db2.gz RJUDCQCSYDVXFE-UHFFFAOYSA-N 1 2 324.428 2.477 10 0 DEAELO 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COc1ccc(CN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cc1C ZINC000571214164 292534617 /nfs/dbraw/zinc/53/46/17/292534617.db2.gz VPLPQUIEHWUQAC-HNNXBMFYSA-N 1 2 313.401 2.421 10 0 DEAELO c1nn(-c2ncccn2)c2nc[nH+]c(NC[C@@H]3C[C@H]3C3CC3)c12 ZINC000571384170 292546001 /nfs/dbraw/zinc/54/60/01/292546001.db2.gz LJAGMEQUZDAOLR-RYUDHWBXSA-N 1 2 307.361 2.064 10 0 DEAELO CCCNc1nc(N[C@H](CC)CO)c(Br)c[nH+]1 ZINC000129180249 196026525 /nfs/dbraw/zinc/02/65/25/196026525.db2.gz CUAWVSYHEXSLOO-MRVPVSSYSA-N 1 2 303.204 2.244 10 0 DEAELO Brc1cnc(C[NH2+]C2COC2)c(Br)c1 ZINC000129856737 196080586 /nfs/dbraw/zinc/08/05/86/196080586.db2.gz JBKWDRZXZFPODY-UHFFFAOYSA-N 1 2 322.000 2.095 10 0 DEAELO CCOC(=O)C[N@H+](CC(=O)N1CCCC[C@H]1CC)C(C)(C)C ZINC000130761207 196108314 /nfs/dbraw/zinc/10/83/14/196108314.db2.gz NOEKSXLIRGVCAU-CQSZACIVSA-N 1 2 312.454 2.441 10 0 DEAELO CCOC(=O)C[N@@H+](CC(=O)N1CCCC[C@H]1CC)C(C)(C)C ZINC000130761207 196108316 /nfs/dbraw/zinc/10/83/16/196108316.db2.gz NOEKSXLIRGVCAU-CQSZACIVSA-N 1 2 312.454 2.441 10 0 DEAELO C[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@@H]1c1ccc(Cl)cc1 ZINC000130765778 196108614 /nfs/dbraw/zinc/10/86/14/196108614.db2.gz AGGHTVSBMICLNE-AAEUAGOBSA-N 1 2 322.821 2.367 10 0 DEAELO C[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@@H]1c1ccc(Cl)cc1 ZINC000130765778 196108617 /nfs/dbraw/zinc/10/86/17/196108617.db2.gz AGGHTVSBMICLNE-AAEUAGOBSA-N 1 2 322.821 2.367 10 0 DEAELO CC[NH2+][C@@](CSc1nc(CC)ns1)(C(=O)OC)C1CC1 ZINC000131015775 196132458 /nfs/dbraw/zinc/13/24/58/196132458.db2.gz LAZIKLMJJRCACQ-CYBMUJFWSA-N 1 2 315.464 2.124 10 0 DEAELO FC(F)(F)CCCNc1nc(Cl)nc(-n2cc[nH+]c2)n1 ZINC000131024820 196133884 /nfs/dbraw/zinc/13/38/84/196133884.db2.gz DQTBEJUVPRTTBT-UHFFFAOYSA-N 1 2 306.679 2.465 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(F)cc2[nH]cnc21 ZINC000131117061 196141551 /nfs/dbraw/zinc/14/15/51/196141551.db2.gz SFDVQWQIJUKRGT-UHFFFAOYSA-N 1 2 315.352 2.485 10 0 DEAELO CCOC(=O)[C@]([NH3+])(CSc1ncns1)c1ccccc1 ZINC000131124230 196141657 /nfs/dbraw/zinc/14/16/57/196141657.db2.gz 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/nfs/dbraw/zinc/58/32/16/402583216.db2.gz DFUPXMNSEUJLAD-UHFFFAOYSA-N 1 2 313.386 2.271 10 0 DEAELO c1cc(-c2noc(C[N@@H+]3CCC[C@H](n4cncn4)C3)n2)cs1 ZINC000171617433 402602034 /nfs/dbraw/zinc/60/20/34/402602034.db2.gz AIYZAJDIZTUXML-LBPRGKRZSA-N 1 2 316.390 2.227 10 0 DEAELO c1cc(-c2noc(C[N@H+]3CCC[C@H](n4cncn4)C3)n2)cs1 ZINC000171617433 402602035 /nfs/dbraw/zinc/60/20/35/402602035.db2.gz AIYZAJDIZTUXML-LBPRGKRZSA-N 1 2 316.390 2.227 10 0 DEAELO Cc1cccc(-c2noc(C[N@@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000171705739 402612588 /nfs/dbraw/zinc/61/25/88/402612588.db2.gz PAWGBLCOZMQODX-OAHLLOKOSA-N 1 2 324.388 2.474 10 0 DEAELO Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](n4cncn4)C3)n2)c1 ZINC000171705739 402612591 /nfs/dbraw/zinc/61/25/91/402612591.db2.gz PAWGBLCOZMQODX-OAHLLOKOSA-N 1 2 324.388 2.474 10 0 DEAELO CCn1cc([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)cn1 ZINC000190799837 402623799 /nfs/dbraw/zinc/62/37/99/402623799.db2.gz OQHWUXOBDIGQOM-KRWDZBQOSA-N 1 2 301.390 2.355 10 0 DEAELO CCn1cc([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)cn1 ZINC000190799837 402623802 /nfs/dbraw/zinc/62/38/02/402623802.db2.gz OQHWUXOBDIGQOM-KRWDZBQOSA-N 1 2 301.390 2.355 10 0 DEAELO CSCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000171870902 402630380 /nfs/dbraw/zinc/63/03/80/402630380.db2.gz HKMFEVJSAJXPMW-NSHDSACASA-N 1 2 314.401 2.408 10 0 DEAELO CSCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000171870902 402630384 /nfs/dbraw/zinc/63/03/84/402630384.db2.gz HKMFEVJSAJXPMW-NSHDSACASA-N 1 2 314.401 2.408 10 0 DEAELO C[C@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(C2CC2)cc1 ZINC000191007319 402636064 /nfs/dbraw/zinc/63/60/64/402636064.db2.gz MONMHGMZJVTXSS-CQSZACIVSA-N 1 2 317.433 2.084 10 0 DEAELO CC(=O)c1cccc(NC(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000191252016 402654483 /nfs/dbraw/zinc/65/44/83/402654483.db2.gz LLLNBAQUXUCWMK-RYUDHWBXSA-N 1 2 304.390 2.061 10 0 DEAELO CN1C(=O)C[C@@H]([NH2+]Cc2csnn2)[C@H]1c1ccc(Cl)cc1 ZINC000182665296 402706918 /nfs/dbraw/zinc/70/69/18/402706918.db2.gz ZOBMDEXGGQYHGB-TZMCWYRMSA-N 1 2 322.821 2.253 10 0 DEAELO COc1cccc(CCC[N@@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000173667056 402707248 /nfs/dbraw/zinc/70/72/48/402707248.db2.gz NZESGGVKSYTBAD-MRXNPFEDSA-N 1 2 316.405 2.128 10 0 DEAELO COc1cccc(CCC[N@H+]2CCO[C@@H](c3nnc(C)[nH]3)C2)c1 ZINC000173667056 402707252 /nfs/dbraw/zinc/70/72/52/402707252.db2.gz NZESGGVKSYTBAD-MRXNPFEDSA-N 1 2 316.405 2.128 10 0 DEAELO COc1cccc(CCC[N@@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173667056 402707254 /nfs/dbraw/zinc/70/72/54/402707254.db2.gz NZESGGVKSYTBAD-MRXNPFEDSA-N 1 2 316.405 2.128 10 0 DEAELO COc1cccc(CCC[N@H+]2CCO[C@@H](c3n[nH]c(C)n3)C2)c1 ZINC000173667056 402707257 /nfs/dbraw/zinc/70/72/57/402707257.db2.gz NZESGGVKSYTBAD-MRXNPFEDSA-N 1 2 316.405 2.128 10 0 DEAELO COc1cccc(CCC[N@@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000173667042 402707312 /nfs/dbraw/zinc/70/73/12/402707312.db2.gz NZESGGVKSYTBAD-INIZCTEOSA-N 1 2 316.405 2.128 10 0 DEAELO COc1cccc(CCC[N@H+]2CCO[C@H](c3nnc(C)[nH]3)C2)c1 ZINC000173667042 402707316 /nfs/dbraw/zinc/70/73/16/402707316.db2.gz NZESGGVKSYTBAD-INIZCTEOSA-N 1 2 316.405 2.128 10 0 DEAELO COc1cccc(CCC[N@@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173667042 402707320 /nfs/dbraw/zinc/70/73/20/402707320.db2.gz NZESGGVKSYTBAD-INIZCTEOSA-N 1 2 316.405 2.128 10 0 DEAELO COc1cccc(CCC[N@H+]2CCO[C@H](c3n[nH]c(C)n3)C2)c1 ZINC000173667042 402707325 /nfs/dbraw/zinc/70/73/25/402707325.db2.gz NZESGGVKSYTBAD-INIZCTEOSA-N 1 2 316.405 2.128 10 0 DEAELO Cc1nnc([C@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CCO2)[nH]1 ZINC000173676450 402708526 /nfs/dbraw/zinc/70/85/26/402708526.db2.gz MKTBGAGGWSWGRG-CYBMUJFWSA-N 1 2 324.331 2.288 10 0 DEAELO Cc1nnc([C@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CCO2)[nH]1 ZINC000173676450 402708528 /nfs/dbraw/zinc/70/85/28/402708528.db2.gz MKTBGAGGWSWGRG-CYBMUJFWSA-N 1 2 324.331 2.288 10 0 DEAELO CSc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173873989 402716192 /nfs/dbraw/zinc/71/61/92/402716192.db2.gz DCZAFKGXQKXGBY-CJNGLKHVSA-N 1 2 320.458 2.201 10 0 DEAELO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1nc(=O)c2sccc2[nH]1 ZINC000253542840 402667777 /nfs/dbraw/zinc/66/77/77/402667777.db2.gz BLZYUCJMPGFVBG-MNOVXSKESA-N 1 2 304.419 2.065 10 0 DEAELO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1nc(=O)c2sccc2[nH]1 ZINC000253542840 402667779 /nfs/dbraw/zinc/66/77/79/402667779.db2.gz BLZYUCJMPGFVBG-MNOVXSKESA-N 1 2 304.419 2.065 10 0 DEAELO O=C(NCC[C@@H]1CCCCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000182196159 402671343 /nfs/dbraw/zinc/67/13/43/402671343.db2.gz JERJVVXMOZFZQE-CABCVRRESA-N 1 2 306.410 2.016 10 0 DEAELO C[C@@H](CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000172749353 402673425 /nfs/dbraw/zinc/67/34/25/402673425.db2.gz QTRJSHKQELRMTH-WMLDXEAASA-N 1 2 320.408 2.252 10 0 DEAELO CC1(C)COCC[N@@H+]1CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172900234 402679305 /nfs/dbraw/zinc/67/93/05/402679305.db2.gz MMMZKUSTMSTICB-HZPDHXFCSA-N 1 2 308.466 2.430 10 0 DEAELO CC1(C)COCC[N@H+]1CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172900234 402679308 /nfs/dbraw/zinc/67/93/08/402679308.db2.gz MMMZKUSTMSTICB-HZPDHXFCSA-N 1 2 308.466 2.430 10 0 DEAELO COc1ccccc1/C=C\C[N@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000255435120 402687582 /nfs/dbraw/zinc/68/75/82/402687582.db2.gz QFLAXGZUXDVJTM-LEXSJLIMSA-N 1 2 321.442 2.360 10 0 DEAELO COc1ccccc1/C=C\C[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000255435120 402687587 /nfs/dbraw/zinc/68/75/87/402687587.db2.gz QFLAXGZUXDVJTM-LEXSJLIMSA-N 1 2 321.442 2.360 10 0 DEAELO COCc1nc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)no1 ZINC000182521779 402696796 /nfs/dbraw/zinc/69/67/96/402696796.db2.gz SZOVOACRQKHPFG-GJZGRUSLSA-N 1 2 317.389 2.304 10 0 DEAELO COCc1nc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccccc2)no1 ZINC000182521779 402696797 /nfs/dbraw/zinc/69/67/97/402696797.db2.gz SZOVOACRQKHPFG-GJZGRUSLSA-N 1 2 317.389 2.304 10 0 DEAELO CCC(CC)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173421387 402696857 /nfs/dbraw/zinc/69/68/57/402696857.db2.gz LYYKORQLJHBGDR-ZDUSSCGKSA-N 1 2 305.426 2.040 10 0 DEAELO CCC(CC)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173421387 402696860 /nfs/dbraw/zinc/69/68/60/402696860.db2.gz LYYKORQLJHBGDR-ZDUSSCGKSA-N 1 2 305.426 2.040 10 0 DEAELO CCc1cnc(NC(=O)NCc2ccc[nH+]c2N(C)C)s1 ZINC000174232845 402732971 /nfs/dbraw/zinc/73/29/71/402732971.db2.gz RYMHQKNETCVHET-UHFFFAOYSA-N 1 2 305.407 2.488 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C(C)C)nn1C ZINC000174284863 402734849 /nfs/dbraw/zinc/73/48/49/402734849.db2.gz SIZAKAVKKVUJSV-UHFFFAOYSA-N 1 2 303.410 2.326 10 0 DEAELO Cc1ccc(-c2nc(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)co2)cc1 ZINC000263239846 402749072 /nfs/dbraw/zinc/74/90/72/402749072.db2.gz OKSSFHXTVTUTSQ-ZDUSSCGKSA-N 1 2 321.327 2.263 10 0 DEAELO CC(C)(C)c1nc(CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cs1 ZINC000263287597 402754913 /nfs/dbraw/zinc/75/49/13/402754913.db2.gz VGAVEOIXHLVGHW-SNVBAGLBSA-N 1 2 317.405 2.097 10 0 DEAELO COc1ccc([C@H]2CCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)cc1 ZINC000263306687 402756936 /nfs/dbraw/zinc/75/69/36/402756936.db2.gz XYPWULZHQHOLHM-GXTWGEPZSA-N 1 2 310.344 2.008 10 0 DEAELO C[C@@H]1CO[C@@H](c2ccccc2)CN1c1[nH+]cnc2c1cnn2C ZINC000174923208 402763672 /nfs/dbraw/zinc/76/36/72/402763672.db2.gz KQNFEKMNROWSEA-IUODEOHRSA-N 1 2 309.373 2.330 10 0 DEAELO COC(=O)c1coc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)c1 ZINC000183478297 402770710 /nfs/dbraw/zinc/77/07/10/402770710.db2.gz CMCDCQCZCZESAD-NSHDSACASA-N 1 2 303.318 2.157 10 0 DEAELO CNC(=O)[C@H]1CCC[N@@H+]1Cc1sc(C)nc1C(F)(F)F ZINC000183572309 402777325 /nfs/dbraw/zinc/77/73/25/402777325.db2.gz GAZZSHGHBIXQIT-MRVPVSSYSA-N 1 2 307.341 2.181 10 0 DEAELO CNC(=O)[C@H]1CCC[N@H+]1Cc1sc(C)nc1C(F)(F)F ZINC000183572309 402777327 /nfs/dbraw/zinc/77/73/27/402777327.db2.gz GAZZSHGHBIXQIT-MRVPVSSYSA-N 1 2 307.341 2.181 10 0 DEAELO Cn1ncc2c1nc[nH+]c2N1CCC[C@H](c2nccs2)C1 ZINC000195313319 402841889 /nfs/dbraw/zinc/84/18/89/402841889.db2.gz ZWORCHZRFKBEBA-JTQLQIEISA-N 1 2 300.391 2.204 10 0 DEAELO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@@H+](C3CC3)CCO2)CC(C)(C)C1 ZINC000183793323 402798219 /nfs/dbraw/zinc/79/82/19/402798219.db2.gz RIMLTDCNRQDCIM-IJEWVQPXSA-N 1 2 308.466 2.428 10 0 DEAELO C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[N@H+](C3CC3)CCO2)CC(C)(C)C1 ZINC000183793323 402798221 /nfs/dbraw/zinc/79/82/21/402798221.db2.gz RIMLTDCNRQDCIM-IJEWVQPXSA-N 1 2 308.466 2.428 10 0 DEAELO COc1cccc(CNC(=O)Cn2c(C)[nH+]c3ccccc32)n1 ZINC000194610371 402805378 /nfs/dbraw/zinc/80/53/78/402805378.db2.gz MDYCYJYPKQZTDD-UHFFFAOYSA-N 1 2 310.357 2.065 10 0 DEAELO CCCCCOc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000194633571 402806437 /nfs/dbraw/zinc/80/64/37/402806437.db2.gz HVRUNSQUEDXNRO-QGZVFWFLSA-N 1 2 320.433 2.316 10 0 DEAELO CCCCCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000194633571 402806441 /nfs/dbraw/zinc/80/64/41/402806441.db2.gz HVRUNSQUEDXNRO-QGZVFWFLSA-N 1 2 320.433 2.316 10 0 DEAELO CC(C)CC(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000175505060 402812380 /nfs/dbraw/zinc/81/23/80/402812380.db2.gz YRJYVHVRKAVXMA-HNNXBMFYSA-N 1 2 311.470 2.175 10 0 DEAELO CCn1c2ccc(F)cc2[nH+]c1Cn1cnc2c(c1=O)CCC2 ZINC000184065417 402815115 /nfs/dbraw/zinc/81/51/15/402815115.db2.gz GANNKAXEONDHFZ-UHFFFAOYSA-N 1 2 312.348 2.289 10 0 DEAELO CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195358832 402843392 /nfs/dbraw/zinc/84/33/92/402843392.db2.gz COYPFLSQPMWNNF-GFCCVEGCSA-N 1 2 302.465 2.147 10 0 DEAELO CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195358832 402843393 /nfs/dbraw/zinc/84/33/93/402843393.db2.gz COYPFLSQPMWNNF-GFCCVEGCSA-N 1 2 302.465 2.147 10 0 DEAELO CC(C)n1nnnc1C[N@H+](C)CCCOc1ccc(F)cc1 ZINC000195075964 402830235 /nfs/dbraw/zinc/83/02/35/402830235.db2.gz HAUXBCCICSWBNS-UHFFFAOYSA-N 1 2 307.373 2.294 10 0 DEAELO CC(C)n1nnnc1C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000195075964 402830238 /nfs/dbraw/zinc/83/02/38/402830238.db2.gz HAUXBCCICSWBNS-UHFFFAOYSA-N 1 2 307.373 2.294 10 0 DEAELO CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1nncs1 ZINC000184318478 402834879 /nfs/dbraw/zinc/83/48/79/402834879.db2.gz GBZIVSKAIHEFJC-CYBMUJFWSA-N 1 2 302.403 2.166 10 0 DEAELO CN(C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1nncs1 ZINC000184318478 402834881 /nfs/dbraw/zinc/83/48/81/402834881.db2.gz GBZIVSKAIHEFJC-CYBMUJFWSA-N 1 2 302.403 2.166 10 0 DEAELO CNC(=O)[C@@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)C(C)C ZINC000183678954 402788214 /nfs/dbraw/zinc/78/82/14/402788214.db2.gz IQBWXUGSRDIWPT-ZDUSSCGKSA-N 1 2 322.796 2.250 10 0 DEAELO CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195404093 402844874 /nfs/dbraw/zinc/84/48/74/402844874.db2.gz HMELCYKRNKJHMP-ZIAGYGMSSA-N 1 2 311.426 2.363 10 0 DEAELO CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195404093 402844876 /nfs/dbraw/zinc/84/48/76/402844876.db2.gz HMELCYKRNKJHMP-ZIAGYGMSSA-N 1 2 311.426 2.363 10 0 DEAELO CCn1cc(C2CC[NH+](Cc3nnc(C4CC4)n3C)CC2)cn1 ZINC000195500817 402847655 /nfs/dbraw/zinc/84/76/55/402847655.db2.gz TZSFLTIEDBZQKI-UHFFFAOYSA-N 1 2 314.437 2.289 10 0 DEAELO CCn1cc(C2CC[NH+](CC(=O)Nc3nccs3)CC2)cn1 ZINC000195499221 402847661 /nfs/dbraw/zinc/84/76/61/402847661.db2.gz CTVQYPDOJPEXSY-UHFFFAOYSA-N 1 2 319.434 2.178 10 0 DEAELO C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195506566 402848311 /nfs/dbraw/zinc/84/83/11/402848311.db2.gz VOBKRVIODGFNLE-AWEZNQCLSA-N 1 2 312.417 2.294 10 0 DEAELO c1cnn(CC[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000195511447 402848899 /nfs/dbraw/zinc/84/88/99/402848899.db2.gz SGOGVTGUNKUGQD-CQSZACIVSA-N 1 2 300.410 2.038 10 0 DEAELO c1cnn(CC[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)c1 ZINC000195511447 402848901 /nfs/dbraw/zinc/84/89/01/402848901.db2.gz SGOGVTGUNKUGQD-CQSZACIVSA-N 1 2 300.410 2.038 10 0 DEAELO Cc1nc(C[C@H]2CCC[N@H+](Cc3nc(C4CC4)no3)C2)no1 ZINC000195518180 402850333 /nfs/dbraw/zinc/85/03/33/402850333.db2.gz VJBIFGFVYWONHP-LLVKDONJSA-N 1 2 303.366 2.093 10 0 DEAELO Cc1nc(C[C@H]2CCC[N@@H+](Cc3nc(C4CC4)no3)C2)no1 ZINC000195518180 402850334 /nfs/dbraw/zinc/85/03/34/402850334.db2.gz VJBIFGFVYWONHP-LLVKDONJSA-N 1 2 303.366 2.093 10 0 DEAELO CCCc1nc(CS(=O)(=O)Cc2[nH+]ccn2CC)cs1 ZINC000195519918 402850377 /nfs/dbraw/zinc/85/03/77/402850377.db2.gz JJFUPHZAWKITFJ-UHFFFAOYSA-N 1 2 313.448 2.427 10 0 DEAELO O=C1[C@@H]2C[C@@H]3CCCC[C@H]3N2C(=O)N1Cc1cn2ccccc2[nH+]1 ZINC000272295946 402919988 /nfs/dbraw/zinc/91/99/88/402919988.db2.gz VYDAZAPGOFSUSB-CFVMTHIKSA-N 1 2 324.384 2.430 10 0 DEAELO O=C(N[C@@H]1CCOC2(CCC2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272332650 402924627 /nfs/dbraw/zinc/92/46/27/402924627.db2.gz MYEFUNCMWVUJOY-CYBMUJFWSA-N 1 2 312.373 2.099 10 0 DEAELO CC(=O)[C@@H]1C[C@H](CC(=O)NCc2cn3c([nH+]2)CCCC3)C1(C)C ZINC000273590083 403017861 /nfs/dbraw/zinc/01/78/61/403017861.db2.gz JBEGXIFTTZDJNZ-HIFRSBDPSA-N 1 2 317.433 2.477 10 0 DEAELO Cn1c2c([nH+]c1[C@H]1CCCN1c1ncnc3nc[nH]c31)CCCC2 ZINC000281501171 403069992 /nfs/dbraw/zinc/06/99/92/403069992.db2.gz ORRRTCRDVYXGKY-CYBMUJFWSA-N 1 2 323.404 2.307 10 0 DEAELO CN(C)c1[nH+]cccc1O[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000275670052 403114054 /nfs/dbraw/zinc/11/40/54/403114054.db2.gz PJEHGLLKLFVZTD-GJZGRUSLSA-N 1 2 315.417 2.484 10 0 DEAELO 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CCCn1nccc1C[NH2+]Cc1nn(C)cc1Br ZINC000393346177 540137621 /nfs/dbraw/zinc/13/76/21/540137621.db2.gz BPIHDFXKYDUZEQ-UHFFFAOYSA-N 1 2 312.215 2.079 10 0 DEAELO CC(C)CCN(CCC(C)C)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105282932 355720143 /nfs/dbraw/zinc/72/01/43/355720143.db2.gz JDRGAQOXADNJQR-INIZCTEOSA-N 1 2 313.486 2.421 10 0 DEAELO CC(C)CCN(CCC(C)C)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105282932 355720145 /nfs/dbraw/zinc/72/01/45/355720145.db2.gz JDRGAQOXADNJQR-INIZCTEOSA-N 1 2 313.486 2.421 10 0 DEAELO CC(C)(C)OC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(O)cc2)C1 ZINC000113572391 355759876 /nfs/dbraw/zinc/75/98/76/355759876.db2.gz QPFKBFNEZOZWHB-OAHLLOKOSA-N 1 2 307.390 2.497 10 0 DEAELO CC(C)(C)OC(=O)CC[N@H+]1CCO[C@@H](c2ccc(O)cc2)C1 ZINC000113572391 355759880 /nfs/dbraw/zinc/75/98/80/355759880.db2.gz QPFKBFNEZOZWHB-OAHLLOKOSA-N 1 2 307.390 2.497 10 0 DEAELO COc1cc(C(=O)NCCc2c[nH+]c[nH]2)cc(Cl)c1OC ZINC000078723318 191917859 /nfs/dbraw/zinc/91/78/59/191917859.db2.gz SRYCHJGOJCZQRA-UHFFFAOYSA-N 1 2 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c1cc(-c2noc(C[N@@H+]3CC[C@@H](Oc4cccnc4)C3)n2)co1 ZINC000152551911 539539141 /nfs/dbraw/zinc/53/91/41/539539141.db2.gz XKVDVIAQQVYUJE-CQSZACIVSA-N 1 2 312.329 2.378 10 0 DEAELO c1cc(-c2noc(C[N@H+]3CC[C@@H](Oc4cccnc4)C3)n2)co1 ZINC000152551911 539539143 /nfs/dbraw/zinc/53/91/43/539539143.db2.gz XKVDVIAQQVYUJE-CQSZACIVSA-N 1 2 312.329 2.378 10 0 DEAELO CC(C)(C)OC(=O)Nc1ccc([C@H]2CN(C(N)=O)CC[NH2+]2)cc1 ZINC000616655684 362905030 /nfs/dbraw/zinc/90/50/30/362905030.db2.gz XEIVWKMDLSRKEI-CYBMUJFWSA-N 1 2 320.393 2.059 10 0 DEAELO Cc1[nH]ncc1[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000180509804 539645539 /nfs/dbraw/zinc/64/55/39/539645539.db2.gz DCDKUAMMJPMEHN-LRDDRELGSA-N 1 2 300.406 2.068 10 0 DEAELO CC[C@H](NS(=O)(=O)c1c(N)ccc(C)c1C)c1[nH]cc[nH+]1 ZINC000138429056 186017241 /nfs/dbraw/zinc/01/72/41/186017241.db2.gz AAHJAUKULUVQOD-LBPRGKRZSA-N 1 2 308.407 2.038 10 0 DEAELO CCCOc1ccc(S(=O)(=O)N[C@@H](C)c2[nH]cc[nH+]2)cc1 ZINC000141464069 186029791 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C[C@@H]([NH2+]Cc1noc(C2CC2)n1)c1ccc(-n2cncn2)cc1 ZINC000181867007 186212561 /nfs/dbraw/zinc/21/25/61/186212561.db2.gz BZOICMJNRBVBMG-LLVKDONJSA-N 1 2 310.361 2.379 10 0 DEAELO CC(C)[C@@H](C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171976187 198019569 /nfs/dbraw/zinc/01/95/69/198019569.db2.gz QEHBSOFSVUKZQM-WBVHZDCISA-N 1 2 304.434 2.156 10 0 DEAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)N1CCC(C(C)(C)C)CC1 ZINC000172185810 198054256 /nfs/dbraw/zinc/05/42/56/198054256.db2.gz ODQMGIWLAJWSEF-HNNXBMFYSA-N 1 2 324.513 2.090 10 0 DEAELO COC(C)(C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000172229369 198060736 /nfs/dbraw/zinc/06/07/36/198060736.db2.gz PWMXRXUPILAMLK-LBPRGKRZSA-N 1 2 300.349 2.109 10 0 DEAELO CCOc1ccccc1N1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000072553121 191191743 /nfs/dbraw/zinc/19/17/43/191191743.db2.gz QJMKGPOMVKHOPN-UHFFFAOYSA-N 1 2 319.449 2.122 10 0 DEAELO CN1CCN(C(=O)c2ccc3c(c2)CCC3)C[C@@H]1c1[nH]cc[nH+]1 ZINC000328634599 539909263 /nfs/dbraw/zinc/90/92/63/539909263.db2.gz UGEFXDRHQUOMNM-MRXNPFEDSA-N 1 2 310.401 2.027 10 0 DEAELO O=S(=O)([C@H]1C[C@@H]2CC[C@H]1C2)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000333162794 539949779 /nfs/dbraw/zinc/94/97/79/539949779.db2.gz MDRFBYLJLFVXPG-RFGFWPKPSA-N 1 2 309.435 2.455 10 0 DEAELO Cn1cccc1C(=O)C[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173797558 198253147 /nfs/dbraw/zinc/25/31/47/198253147.db2.gz RETXOYVOYSUPGX-ZDUSSCGKSA-N 1 2 321.421 2.197 10 0 DEAELO Cn1cccc1C(=O)C[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000173797558 198253149 /nfs/dbraw/zinc/25/31/49/198253149.db2.gz RETXOYVOYSUPGX-ZDUSSCGKSA-N 1 2 321.421 2.197 10 0 DEAELO C[C@H]1CN(C(=O)c2cccc(C(F)F)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173810367 198254574 /nfs/dbraw/zinc/25/45/74/198254574.db2.gz QELBLIDGEAKBPQ-SWLSCSKDSA-N 1 2 324.371 2.417 10 0 DEAELO Cc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)c1 ZINC000173870313 198263183 /nfs/dbraw/zinc/26/31/83/198263183.db2.gz SZMLCMLZLJTIRM-NVXWUHKLSA-N 1 2 302.418 2.096 10 0 DEAELO CCOC(=O)CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173945478 198272173 /nfs/dbraw/zinc/27/21/73/198272173.db2.gz YFWSGPPLENPYLV-GFCCVEGCSA-N 1 2 301.346 2.003 10 0 DEAELO CC(=O)c1c[nH]c(C(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000047123604 354307027 /nfs/dbraw/zinc/30/70/27/354307027.db2.gz XSKIGMHDMOFTEJ-UHFFFAOYSA-N 1 2 312.373 2.011 10 0 DEAELO CC(C)Cn1cc[nH+]c1CN1C(=O)NC2(CCCCC2)C1=O ZINC000348905380 540026264 /nfs/dbraw/zinc/02/62/64/540026264.db2.gz DCPGWXIJYZXZEE-UHFFFAOYSA-N 1 2 304.394 2.294 10 0 DEAELO CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)Cn2cc[nH+]c2)c1 ZINC000072591386 354908311 /nfs/dbraw/zinc/90/83/11/354908311.db2.gz ANQWEEWRMSOANZ-GFCCVEGCSA-N 1 2 315.377 2.076 10 0 DEAELO Cc1cn2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2[nH+]1 ZINC000074748861 191354546 /nfs/dbraw/zinc/35/45/46/191354546.db2.gz WYAJOQYRYOSAJZ-UHFFFAOYSA-N 1 2 309.325 2.301 10 0 DEAELO COC(=O)c1ccccc1NC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC000074920050 191387599 /nfs/dbraw/zinc/38/75/99/191387599.db2.gz BOJQNRNPWMZCFY-OAHLLOKOSA-N 1 2 313.357 2.110 10 0 DEAELO CO[C@@]1(CO)CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000401768111 540142483 /nfs/dbraw/zinc/14/24/83/540142483.db2.gz HTSHQCWQERIGHP-LBPRGKRZSA-N 1 2 320.252 2.484 10 0 DEAELO CO[C@@]1(CO)CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000401768111 540142488 /nfs/dbraw/zinc/14/24/88/540142488.db2.gz HTSHQCWQERIGHP-LBPRGKRZSA-N 1 2 320.252 2.484 10 0 DEAELO C([C@H]1CCCCN1c1nc(C2CC2)ns1)[NH+]1CCOCC1 ZINC000092652976 355643264 /nfs/dbraw/zinc/64/32/64/355643264.db2.gz WVGQSDIIFYKGGT-CYBMUJFWSA-N 1 2 308.451 2.107 10 0 DEAELO CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H](C)OCC1CC1)C2 ZINC000112665673 355755540 /nfs/dbraw/zinc/75/55/40/355755540.db2.gz CHLHYRATCDRBDJ-LBPRGKRZSA-N 1 2 305.422 2.243 10 0 DEAELO COC(=O)c1cc(Nc2cc(Cl)cn3cc[nH+]c23)nn1C ZINC000118868631 355782187 /nfs/dbraw/zinc/78/21/87/355782187.db2.gz XMYGNZVPVAGKLV-UHFFFAOYSA-N 1 2 305.725 2.251 10 0 DEAELO CNC(=O)Cc1nc(C[NH2+]C2(c3cccc(F)c3)CC2)cs1 ZINC000179684335 356031079 /nfs/dbraw/zinc/03/10/79/356031079.db2.gz PDZDYPYXZRNWTA-UHFFFAOYSA-N 1 2 319.405 2.350 10 0 DEAELO Cc1nnc(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)n1C1CC1 ZINC000183119054 356160791 /nfs/dbraw/zinc/16/07/91/356160791.db2.gz BIIZTZGTALJGDC-NYHFZMIOSA-N 1 2 318.446 2.131 10 0 DEAELO O=C(NCCCn1ccnn1)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000182925627 356151879 /nfs/dbraw/zinc/15/18/79/356151879.db2.gz ZLSZHEJGTIGDRX-UHFFFAOYSA-N 1 2 323.356 2.286 10 0 DEAELO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)c1nccs1 ZINC000080266133 192019501 /nfs/dbraw/zinc/01/95/01/192019501.db2.gz CYMBGMNAZJIEGH-NXEZZACHSA-N 1 2 311.432 2.202 10 0 DEAELO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000193611364 356228059 /nfs/dbraw/zinc/22/80/59/356228059.db2.gz GSJOPPUWCMPHHW-BONVTDFDSA-N 1 2 303.337 2.095 10 0 DEAELO CC[C@H]([NH2+]CC(=O)NCCOc1ccccc1)c1nccs1 ZINC000185104299 356201536 /nfs/dbraw/zinc/20/15/36/356201536.db2.gz QCDNWIWCFLSVJU-AWEZNQCLSA-N 1 2 319.430 2.379 10 0 DEAELO C[C@]1(c2nc(Br)ccc2F)NC(=[NH2+])OCC1(F)F ZINC000215576975 356271931 /nfs/dbraw/zinc/27/19/31/356271931.db2.gz JIMHHEGRTRMWGO-SECBINFHSA-N 1 2 324.100 2.179 10 0 DEAELO CCC[NH2+][C@@H](C)c1csc(NS(=O)(=O)N(C)C(C)C)n1 ZINC000080869776 192197160 /nfs/dbraw/zinc/19/71/60/192197160.db2.gz NZHOLJMYDLPLGS-JTQLQIEISA-N 1 2 320.484 2.201 10 0 DEAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1cccc2cn[nH]c21 ZINC000328615905 356460624 /nfs/dbraw/zinc/46/06/24/356460624.db2.gz BDTNEXPFANVQKK-GFCCVEGCSA-N 1 2 309.373 2.094 10 0 DEAELO CN(C[C@@H]1CCn2cc[nH+]c2C1)C(=O)c1cccc2c[nH]nc21 ZINC000328615905 356460627 /nfs/dbraw/zinc/46/06/27/356460627.db2.gz BDTNEXPFANVQKK-GFCCVEGCSA-N 1 2 309.373 2.094 10 0 DEAELO CCn1cnnc1[C@@H]1C[N@H+](CCO[C@@H]2CCCC[C@H]2C)CCO1 ZINC000328621417 356461618 /nfs/dbraw/zinc/46/16/18/356461618.db2.gz ALBGLEIUYRGSEN-OAGGEKHMSA-N 1 2 322.453 2.267 10 0 DEAELO CCn1cnnc1[C@@H]1C[N@@H+](CCO[C@@H]2CCCC[C@H]2C)CCO1 ZINC000328621417 356461621 /nfs/dbraw/zinc/46/16/21/356461621.db2.gz ALBGLEIUYRGSEN-OAGGEKHMSA-N 1 2 322.453 2.267 10 0 DEAELO CCn1cnnc1[C@@H]1C[N@H+](CCO[C@H]2CCCC[C@H]2C)CCO1 ZINC000328621418 356462013 /nfs/dbraw/zinc/46/20/13/356462013.db2.gz ALBGLEIUYRGSEN-PMPSAXMXSA-N 1 2 322.453 2.267 10 0 DEAELO CCn1cnnc1[C@@H]1C[N@@H+](CCO[C@H]2CCCC[C@H]2C)CCO1 ZINC000328621418 356462017 /nfs/dbraw/zinc/46/20/17/356462017.db2.gz ALBGLEIUYRGSEN-PMPSAXMXSA-N 1 2 322.453 2.267 10 0 DEAELO Cc1cc(CN(C)c2cc(N[C@@H]3CCCOC3)[nH+]cn2)no1 ZINC000328655412 356466817 /nfs/dbraw/zinc/46/68/17/356466817.db2.gz YJQBDEUHQVVZKC-GFCCVEGCSA-N 1 2 303.366 2.000 10 0 DEAELO Cc1cc(CN(C)c2cc(N[C@@H]3CCCOC3)nc[nH+]2)no1 ZINC000328655412 356466821 /nfs/dbraw/zinc/46/68/21/356466821.db2.gz YJQBDEUHQVVZKC-GFCCVEGCSA-N 1 2 303.366 2.000 10 0 DEAELO CCNc1ncc(S(=O)(=O)Nc2cc[nH+]cc2)cc1Cl ZINC000081680993 192313365 /nfs/dbraw/zinc/31/33/65/192313365.db2.gz KZIRRVRCZIFMLN-UHFFFAOYSA-N 1 2 312.782 2.363 10 0 DEAELO Cn1c[nH+]cc1CC(=O)NCCc1ccccc1Br ZINC000578567322 356837306 /nfs/dbraw/zinc/83/73/06/356837306.db2.gz SWVSOEURGPSLGP-UHFFFAOYSA-N 1 2 322.206 2.084 10 0 DEAELO C[C@H](CC(=O)NC[C@@H]1C[N@H+](C)CCO1)Cc1ccc(Cl)cc1 ZINC000179882333 199090445 /nfs/dbraw/zinc/09/04/45/199090445.db2.gz SDCVJJKQUGDTDL-XJKSGUPXSA-N 1 2 324.852 2.356 10 0 DEAELO C[C@H](CC(=O)NC[C@@H]1C[N@@H+](C)CCO1)Cc1ccc(Cl)cc1 ZINC000179882333 199090446 /nfs/dbraw/zinc/09/04/46/199090446.db2.gz SDCVJJKQUGDTDL-XJKSGUPXSA-N 1 2 324.852 2.356 10 0 DEAELO CC[C@@H]1C[C@@H](C(=O)NCc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000180056295 199112798 /nfs/dbraw/zinc/11/27/98/199112798.db2.gz IBXZDFHBQYHDGQ-DZGCQCFKSA-N 1 2 314.389 2.089 10 0 DEAELO C[C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000180107193 199117527 /nfs/dbraw/zinc/11/75/27/199117527.db2.gz DJFGAENQYBSSQO-DOTOQJQBSA-N 1 2 304.434 2.092 10 0 DEAELO C[C@@H](CCCc1ccccc1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000180107193 199117529 /nfs/dbraw/zinc/11/75/29/199117529.db2.gz DJFGAENQYBSSQO-DOTOQJQBSA-N 1 2 304.434 2.092 10 0 DEAELO COc1c(C[NH2+]Cc2nc3cc(C)ccc3n2C)c(C)nn1C ZINC000187575025 200129684 /nfs/dbraw/zinc/12/96/84/200129684.db2.gz PJNDNRGCNXUWNY-UHFFFAOYSA-N 1 2 313.405 2.222 10 0 DEAELO COC(=O)C(C)(C)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000619074340 363695119 /nfs/dbraw/zinc/69/51/19/363695119.db2.gz BDDUAAWEAFBBMO-UHFFFAOYSA-N 1 2 315.417 2.237 10 0 DEAELO O=C(CC1CCCCC1)NCC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000603808945 360859508 /nfs/dbraw/zinc/85/95/08/360859508.db2.gz RHRUBOOVCGMEDB-UHFFFAOYSA-N 1 2 314.389 2.359 10 0 DEAELO CCCC(=O)N1CCC[C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000603809132 360860490 /nfs/dbraw/zinc/86/04/90/360860490.db2.gz OZTULZFDPMLGGJ-CYBMUJFWSA-N 1 2 314.389 2.312 10 0 DEAELO CCn1cc([C@H]2C[N@H+](Cc3ccc(OC)c(O)c3)CCO2)cn1 ZINC000191699865 200745618 /nfs/dbraw/zinc/74/56/18/200745618.db2.gz PWHIUDDAQNLQOX-QGZVFWFLSA-N 1 2 317.389 2.191 10 0 DEAELO CCn1cc([C@H]2C[N@@H+](Cc3ccc(OC)c(O)c3)CCO2)cn1 ZINC000191699865 200745620 /nfs/dbraw/zinc/74/56/20/200745620.db2.gz PWHIUDDAQNLQOX-QGZVFWFLSA-N 1 2 317.389 2.191 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)c1cc(-n2cccn2)ccn1 ZINC000605513599 360974258 /nfs/dbraw/zinc/97/42/58/360974258.db2.gz ILBJWIBQPLVSQS-UHFFFAOYSA-N 1 2 304.313 2.167 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)c1c[nH]nc1-c1ccncc1 ZINC000606533352 361019373 /nfs/dbraw/zinc/01/93/73/361019373.db2.gz WRLFCRCRLOSGNM-UHFFFAOYSA-N 1 2 304.313 2.372 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)c1cn[nH]c1-c1ccncc1 ZINC000606533352 361019376 /nfs/dbraw/zinc/01/93/76/361019376.db2.gz WRLFCRCRLOSGNM-UHFFFAOYSA-N 1 2 304.313 2.372 10 0 DEAELO COc1cc([C@H](C)[NH2+]Cc2cn(C)nn2)ccc1OC(F)F ZINC000608053745 361159928 /nfs/dbraw/zinc/15/99/28/361159928.db2.gz MCGBJQQTNFIWKI-VIFPVBQESA-N 1 2 312.320 2.276 10 0 DEAELO CC(C)c1n[nH]cc1C(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000193702433 201106405 /nfs/dbraw/zinc/10/64/05/201106405.db2.gz RFDBXGRWNLRJSO-TZMCWYRMSA-N 1 2 301.394 2.453 10 0 DEAELO COC(=O)C1(CNC(=O)Nc2ccc3[nH+]ccn3c2)CCCC1 ZINC000610633002 361434454 /nfs/dbraw/zinc/43/44/54/361434454.db2.gz KUTVYULSGAEFGJ-UHFFFAOYSA-N 1 2 316.361 2.189 10 0 DEAELO COc1cc(C[N@@H+]2CCO[C@H](Cn3cccn3)C2)ccc1C ZINC000193913478 201142824 /nfs/dbraw/zinc/14/28/24/201142824.db2.gz YOSIUIOLCCNWGX-INIZCTEOSA-N 1 2 301.390 2.101 10 0 DEAELO COc1cc(C[N@H+]2CCO[C@H](Cn3cccn3)C2)ccc1C ZINC000193913478 201142828 /nfs/dbraw/zinc/14/28/28/201142828.db2.gz YOSIUIOLCCNWGX-INIZCTEOSA-N 1 2 301.390 2.101 10 0 DEAELO C[C@@H](NC(=O)NCCCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000194469578 201232710 /nfs/dbraw/zinc/23/27/10/201232710.db2.gz UIAJZWOQXUALLF-CYBMUJFWSA-N 1 2 302.378 2.005 10 0 DEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194967463 201318751 /nfs/dbraw/zinc/31/87/51/201318751.db2.gz YKADSZJPYDLVQM-GVDBMIGSSA-N 1 2 320.408 2.299 10 0 DEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000194967463 201318754 /nfs/dbraw/zinc/31/87/54/201318754.db2.gz YKADSZJPYDLVQM-GVDBMIGSSA-N 1 2 320.408 2.299 10 0 DEAELO Clc1ncc(Br)c(N2CCn3cc[nH+]c3C2)n1 ZINC000091659058 193086200 /nfs/dbraw/zinc/08/62/00/193086200.db2.gz ALAMGIDWMWIYSD-UHFFFAOYSA-N 1 2 314.574 2.109 10 0 DEAELO c1ccc2c(c1)CN(c1cc[nH+]c(N3CC4(C3)CCCO4)n1)C2 ZINC000624544501 365467680 /nfs/dbraw/zinc/46/76/80/365467680.db2.gz VCGQUUAPLXIQHG-UHFFFAOYSA-N 1 2 308.385 2.366 10 0 DEAELO Cc1cn2c(C[N@@H+]3CCO[C@H]([C@@H]4CCCO4)C3)c(C)nc2s1 ZINC000091928172 193128019 /nfs/dbraw/zinc/12/80/19/193128019.db2.gz PNSKUUYCLBMQLG-GJZGRUSLSA-N 1 2 321.446 2.392 10 0 DEAELO Cc1cn2c(C[N@H+]3CCO[C@H]([C@@H]4CCCO4)C3)c(C)nc2s1 ZINC000091928172 193128020 /nfs/dbraw/zinc/12/80/20/193128020.db2.gz PNSKUUYCLBMQLG-GJZGRUSLSA-N 1 2 321.446 2.392 10 0 DEAELO O=C1CCCN1C1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000528372207 283873698 /nfs/dbraw/zinc/87/36/98/283873698.db2.gz LMXCZFIOSGYXCB-UHFFFAOYSA-N 1 2 306.435 2.002 10 0 DEAELO CCS(=O)(=O)c1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000450744193 242164241 /nfs/dbraw/zinc/16/42/41/242164241.db2.gz LHSRGISKICQXQG-UHFFFAOYSA-N 1 2 323.458 2.483 10 0 DEAELO CCS(=O)(=O)c1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000450744193 242164250 /nfs/dbraw/zinc/16/42/50/242164250.db2.gz LHSRGISKICQXQG-UHFFFAOYSA-N 1 2 323.458 2.483 10 0 DEAELO C[C@@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)c1ccc(F)cc1F ZINC000631033216 367978981 /nfs/dbraw/zinc/97/89/81/367978981.db2.gz XALYQYXIYMADQS-NEPJUHHUSA-N 1 2 322.359 2.444 10 0 DEAELO c1cc2c(o1)CCC[C@H]2[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631040422 367984026 /nfs/dbraw/zinc/98/40/26/367984026.db2.gz RCYPSZMDXRLGGO-SWLSCSKDSA-N 1 2 302.378 2.075 10 0 DEAELO CC(=O)N1CC[C@H]([NH2+]Cc2ncnn2C(C)C)c2ccccc21 ZINC000631102424 368017934 /nfs/dbraw/zinc/01/79/34/368017934.db2.gz REWCUYACCOLWIV-HNNXBMFYSA-N 1 2 313.405 2.447 10 0 DEAELO Cc1nccnc1[C@@H](C)[NH2+]Cc1c(Br)cnn1C ZINC000631684631 368341425 /nfs/dbraw/zinc/34/14/25/368341425.db2.gz NDZABKZGNGBREP-SECBINFHSA-N 1 2 310.199 2.132 10 0 DEAELO CCN(CC(C)(C)O)c1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000092984269 193191955 /nfs/dbraw/zinc/19/19/55/193191955.db2.gz HRIVAVLONQLRCG-UHFFFAOYSA-N 1 2 307.463 2.192 10 0 DEAELO 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/nfs/dbraw/zinc/27/62/44/403276244.db2.gz MNXIIXXUWBQJNK-HUUCEWRRSA-N 1 2 316.401 2.091 10 0 DEAELO Cc1[nH+]c2ccc(C(=O)N(C)[C@@H](CO)CC(C)C)cc2n1C ZINC000331064670 403320366 /nfs/dbraw/zinc/32/03/66/403320366.db2.gz PBYVMFQPVZZONS-CQSZACIVSA-N 1 2 303.406 2.361 10 0 DEAELO CC(C)[C@H](Nc1cc[nH+]c(C(C)(C)C)n1)C(=O)N1CCOCC1 ZINC000301660342 403660731 /nfs/dbraw/zinc/66/07/31/403660731.db2.gz CLBHGWYWMUXLOV-AWEZNQCLSA-N 1 2 320.437 2.069 10 0 DEAELO C[C@@H]1C[C@@H](NS(=O)(=O)C[C@H]2CCCC2(F)F)c2[nH+]ccn21 ZINC000333084946 403662583 /nfs/dbraw/zinc/66/25/83/403662583.db2.gz MUXFPBNBIXQKQM-GMTAPVOTSA-N 1 2 319.377 2.244 10 0 DEAELO CC(C)(C(N)=O)[NH+]1CCN(Cc2nc(C3CCCC3)no2)CC1 ZINC000333093543 403664516 /nfs/dbraw/zinc/66/45/16/403664516.db2.gz DBKMPQCBCWSSSI-UHFFFAOYSA-N 1 2 321.425 2.159 10 0 DEAELO C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)O1 ZINC000333155240 403680132 /nfs/dbraw/zinc/68/01/32/403680132.db2.gz HHQOLIGWGMYKBP-JHJVBQTASA-N 1 2 305.422 2.179 10 0 DEAELO CC[C@]1(CO)CCCN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000333346117 403730652 /nfs/dbraw/zinc/73/06/52/403730652.db2.gz USGVMCVHHXBSII-WMLDXEAASA-N 1 2 320.437 2.015 10 0 DEAELO Cc1ccc(C[C@H](CO)CNc2nc[nH+]c(N)c2Cl)cc1 ZINC000302830450 403731591 /nfs/dbraw/zinc/73/15/91/403731591.db2.gz KLMWYBUIPHUDMI-LBPRGKRZSA-N 1 2 306.797 2.284 10 0 DEAELO Cc1ccc(C[C@H](CO)CNc2[nH+]cnc(N)c2Cl)cc1 ZINC000302830450 403731596 /nfs/dbraw/zinc/73/15/96/403731596.db2.gz KLMWYBUIPHUDMI-LBPRGKRZSA-N 1 2 306.797 2.284 10 0 DEAELO c1nc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)oc1C1CC1 ZINC000363150865 404093905 /nfs/dbraw/zinc/09/39/05/404093905.db2.gz XHYBCLKMCDBHLV-HNNXBMFYSA-N 1 2 305.422 2.239 10 0 DEAELO c1nc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)oc1C1CC1 ZINC000363150865 404093913 /nfs/dbraw/zinc/09/39/13/404093913.db2.gz XHYBCLKMCDBHLV-HNNXBMFYSA-N 1 2 305.422 2.239 10 0 DEAELO c1nc(CN2CCCC[C@H]2C[NH+]2CCOCC2)oc1C1CC1 ZINC000363150865 404093917 /nfs/dbraw/zinc/09/39/17/404093917.db2.gz XHYBCLKMCDBHLV-HNNXBMFYSA-N 1 2 305.422 2.239 10 0 DEAELO Cc1cccc(CC(=O)N(CC2CC2)C[C@@H]2C[N@H+](C)CCO2)c1 ZINC000328623956 404116470 /nfs/dbraw/zinc/11/64/70/404116470.db2.gz CEPOHLLVAMEOSP-SFHVURJKSA-N 1 2 316.445 2.107 10 0 DEAELO Cc1cccc(CC(=O)N(CC2CC2)C[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000328623956 404116479 /nfs/dbraw/zinc/11/64/79/404116479.db2.gz CEPOHLLVAMEOSP-SFHVURJKSA-N 1 2 316.445 2.107 10 0 DEAELO C[C@@H]1C[C@H](c2nc([C@H]3C[N@@H+]4CCC[C@@]4(C)CO3)no2)CCC1=O ZINC000329558041 404375844 /nfs/dbraw/zinc/37/58/44/404375844.db2.gz FGMVKACKDAAYAZ-LGIULTMTSA-N 1 2 319.405 2.468 10 0 DEAELO C[C@@H]1C[C@H](c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)CCC1=O ZINC000329558041 404375855 /nfs/dbraw/zinc/37/58/55/404375855.db2.gz FGMVKACKDAAYAZ-LGIULTMTSA-N 1 2 319.405 2.468 10 0 DEAELO C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000330152534 404567611 /nfs/dbraw/zinc/56/76/11/404567611.db2.gz MDABIGRJZAINET-WFASDCNBSA-N 1 2 323.404 2.366 10 0 DEAELO C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000330152534 404567617 /nfs/dbraw/zinc/56/76/17/404567617.db2.gz MDABIGRJZAINET-WFASDCNBSA-N 1 2 323.404 2.366 10 0 DEAELO CC(=O)[C@H](C)CCCCC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000356595127 404611129 /nfs/dbraw/zinc/61/11/29/404611129.db2.gz JRVYXJXYWACNLL-NVXWUHKLSA-N 1 2 324.465 2.095 10 0 DEAELO C[C@@H]1CSc2ccccc2C[N@@H+]1Cc1nnc2n1CCOC2 ZINC000373898193 404631840 /nfs/dbraw/zinc/63/18/40/404631840.db2.gz DWGHFPVJIGQEEC-GFCCVEGCSA-N 1 2 316.430 2.305 10 0 DEAELO C[C@@H]1CSc2ccccc2C[N@H+]1Cc1nnc2n1CCOC2 ZINC000373898193 404631849 /nfs/dbraw/zinc/63/18/49/404631849.db2.gz DWGHFPVJIGQEEC-GFCCVEGCSA-N 1 2 316.430 2.305 10 0 DEAELO C[C@H](C[NH+]1CCOCC1)N(C)C(=O)N[C@@H]1CCC12CCCC2 ZINC000434420901 404895622 /nfs/dbraw/zinc/89/56/22/404895622.db2.gz JAFVGTYSSMGVMK-HUUCEWRRSA-N 1 2 309.454 2.071 10 0 DEAELO c1cc(-c2ccc(C[NH+]3CCN(Cc4ccccn4)CC3)o2)n[nH]1 ZINC000435128419 404957871 /nfs/dbraw/zinc/95/78/71/404957871.db2.gz HLTFENDHFPXMPF-UHFFFAOYSA-N 1 2 323.400 2.383 10 0 DEAELO c1cc(-c2ccc(CN3CC[NH+](Cc4ccccn4)CC3)o2)n[nH]1 ZINC000435128419 404957873 /nfs/dbraw/zinc/95/78/73/404957873.db2.gz HLTFENDHFPXMPF-UHFFFAOYSA-N 1 2 323.400 2.383 10 0 DEAELO C[C@H]1COCCN(C(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000378261445 404910305 /nfs/dbraw/zinc/91/03/05/404910305.db2.gz TTZGDVZIKJSEHU-NFBGWVBBSA-N 1 2 311.385 2.380 10 0 DEAELO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1NC[C@H](O)C(F)F ZINC000435605272 404994598 /nfs/dbraw/zinc/99/45/98/404994598.db2.gz HJHIYPQZQKKBDY-ZDUSSCGKSA-N 1 2 324.327 2.180 10 0 DEAELO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)O1 ZINC000407961649 405076867 /nfs/dbraw/zinc/07/68/67/405076867.db2.gz JLWOYXFZVZUVTE-RSUWNVLCSA-N 1 2 319.449 2.425 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1nncn1C1CC1)C2 ZINC000367759276 405145643 /nfs/dbraw/zinc/14/56/43/405145643.db2.gz XYHIHBJYOPHBGL-SNVBAGLBSA-N 1 2 314.393 2.203 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1nncn1C1CC1)CC2 ZINC000367759276 405145647 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Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1CCSC[C@@H]1CCO ZINC000438653047 405252915 /nfs/dbraw/zinc/25/29/15/405252915.db2.gz QQOFNJOXCIHCFU-ZDUSSCGKSA-N 1 2 318.442 2.459 10 0 DEAELO CC(=O)c1cccc(OC[C@H](O)C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000446073243 405369209 /nfs/dbraw/zinc/36/92/09/405369209.db2.gz XSANZMVJAXKNNU-YOKBYHGQSA-N 1 2 321.417 2.127 10 0 DEAELO CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000446073243 405369212 /nfs/dbraw/zinc/36/92/12/405369212.db2.gz XSANZMVJAXKNNU-YOKBYHGQSA-N 1 2 321.417 2.127 10 0 DEAELO C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635910238 405598659 /nfs/dbraw/zinc/59/86/59/405598659.db2.gz APIHOTRNSBRONY-VEGMONKWSA-N 1 2 317.433 2.445 10 0 DEAELO C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635910238 405598669 /nfs/dbraw/zinc/59/86/69/405598669.db2.gz APIHOTRNSBRONY-VEGMONKWSA-N 1 2 317.433 2.445 10 0 DEAELO C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 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310.760 2.081 10 0 DEAELO C(c1nnc(C2CC2)s1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000450448177 405903694 /nfs/dbraw/zinc/90/36/94/405903694.db2.gz AVFVRHWRPAYUMP-AWEZNQCLSA-N 1 2 322.478 2.102 10 0 DEAELO C(c1nnc(C2CC2)s1)[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000450448177 405903699 /nfs/dbraw/zinc/90/36/99/405903699.db2.gz AVFVRHWRPAYUMP-AWEZNQCLSA-N 1 2 322.478 2.102 10 0 DEAELO C(c1nnc(C2CC2)s1)[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000450448177 405903703 /nfs/dbraw/zinc/90/37/03/405903703.db2.gz AVFVRHWRPAYUMP-AWEZNQCLSA-N 1 2 322.478 2.102 10 0 DEAELO Cc1ccc(-c2noc(C[N@@H+](C)[C@H](CO)COC(C)C)n2)cc1 ZINC000562413816 406004268 /nfs/dbraw/zinc/00/42/68/406004268.db2.gz FMXVRQLHUIKKEY-OAHLLOKOSA-N 1 2 319.405 2.263 10 0 DEAELO Cc1ccc(-c2noc(C[N@H+](C)[C@H](CO)COC(C)C)n2)cc1 ZINC000562413816 406004270 /nfs/dbraw/zinc/00/42/70/406004270.db2.gz FMXVRQLHUIKKEY-OAHLLOKOSA-N 1 2 319.405 2.263 10 0 DEAELO Cc1ccc(-c2noc(C[N@@H+]3CCSC[C@H]3CCO)n2)cc1 ZINC000532351833 406068763 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319.380 2.450 10 0 DEAELO Cc1scc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c1C ZINC000180295759 199141935 /nfs/dbraw/zinc/14/19/35/199141935.db2.gz WXKAIVVTYKJWOM-ABAIWWIYSA-N 1 2 308.447 2.158 10 0 DEAELO CC(=O)CSCC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000601650682 360100088 /nfs/dbraw/zinc/10/00/88/360100088.db2.gz DJDCBOLEIRLRJJ-UHFFFAOYSA-N 1 2 303.387 2.015 10 0 DEAELO COC(=O)c1csc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000602469817 360389927 /nfs/dbraw/zinc/38/99/27/360389927.db2.gz ADBANPRONPVHDW-NSHDSACASA-N 1 2 309.309 2.034 10 0 DEAELO COC(=O)c1csc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000602469817 360389930 /nfs/dbraw/zinc/38/99/30/360389930.db2.gz ADBANPRONPVHDW-NSHDSACASA-N 1 2 309.309 2.034 10 0 DEAELO COC(=O)c1csc(C[N@@H+]2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000602684168 360497118 /nfs/dbraw/zinc/49/71/18/360497118.db2.gz MCGDXPQGJNJLBH-HXUWFJFHSA-N 1 2 315.460 2.268 10 0 DEAELO COC(=O)c1csc(C[N@H+]2CC[S@@](=O)C(C)(C)CC2)c1 ZINC000602684168 360497121 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C[C@H](NC(=O)NCCCCO)c1cccc(-n2cc[nH+]c2)c1 ZINC000194469564 201232360 /nfs/dbraw/zinc/23/23/60/201232360.db2.gz UIAJZWOQXUALLF-ZDUSSCGKSA-N 1 2 302.378 2.005 10 0 DEAELO OCC[C@@H]1CSCC[N@@H+]1Cc1cnc(C(F)(F)F)s1 ZINC000447734710 239088105 /nfs/dbraw/zinc/08/81/05/239088105.db2.gz YMQOLHABURUPOU-MRVPVSSYSA-N 1 2 312.382 2.462 10 0 DEAELO OCC[C@@H]1CSCC[N@H+]1Cc1cnc(C(F)(F)F)s1 ZINC000447734710 239088118 /nfs/dbraw/zinc/08/81/18/239088118.db2.gz YMQOLHABURUPOU-MRVPVSSYSA-N 1 2 312.382 2.462 10 0 DEAELO COc1cc(F)cc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1 ZINC000449244989 240243838 /nfs/dbraw/zinc/24/38/38/240243838.db2.gz XKZPAMIGWPWACR-UHFFFAOYSA-N 1 2 316.380 2.255 10 0 DEAELO Clc1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)ncc1Br ZINC000091687762 193091581 /nfs/dbraw/zinc/09/15/81/193091581.db2.gz OBASZUMMLSMLTQ-VXNVDRBHSA-N 1 2 318.602 2.428 10 0 DEAELO Clc1nc([C@H]2C[N@H+]3CCC[C@@H]3CO2)ncc1Br ZINC000091687762 193091583 /nfs/dbraw/zinc/09/15/83/193091583.db2.gz OBASZUMMLSMLTQ-VXNVDRBHSA-N 1 2 318.602 2.428 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1 2 307.357 2.155 10 0 DEAELO COc1ccc(C[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1OC ZINC000359060050 536498730 /nfs/dbraw/zinc/49/87/30/536498730.db2.gz MQELYJWCBHIIRS-CYBMUJFWSA-N 1 2 317.389 2.038 10 0 DEAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1nc2ccccc2n1C ZINC000248891250 536551688 /nfs/dbraw/zinc/55/16/88/536551688.db2.gz YZRZWWKJHGAICM-AHIWAGSCSA-N 1 2 313.401 2.347 10 0 DEAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1nc2ccccc2n1C ZINC000248891250 536551693 /nfs/dbraw/zinc/55/16/93/536551693.db2.gz YZRZWWKJHGAICM-AHIWAGSCSA-N 1 2 313.401 2.347 10 0 DEAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccccc3NC(C)=O)[C@@H]2C1 ZINC000247295638 536700248 /nfs/dbraw/zinc/70/02/48/536700248.db2.gz ZKARVTYBDCCKOL-NXHRZFHOSA-N 1 2 318.417 2.413 10 0 DEAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccccc3NC(C)=O)[C@@H]2C1 ZINC000247295638 536700256 /nfs/dbraw/zinc/70/02/56/536700256.db2.gz ZKARVTYBDCCKOL-NXHRZFHOSA-N 1 2 318.417 2.413 10 0 DEAELO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000162434273 625452476 /nfs/dbraw/zinc/45/24/76/625452476.db2.gz ZHVROOCVNUQLSI-RBSFLKMASA-N 1 2 323.433 2.382 10 0 DEAELO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000162434273 625452480 /nfs/dbraw/zinc/45/24/80/625452480.db2.gz ZHVROOCVNUQLSI-RBSFLKMASA-N 1 2 323.433 2.382 10 0 DEAELO CC(C)S(=O)(=O)CC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000312002786 625153771 /nfs/dbraw/zinc/15/37/71/625153771.db2.gz QLZSAGYELRYVRA-UHFFFAOYSA-N 1 2 304.481 2.353 10 0 DEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)C(F)(F)C(F)F ZINC000175992224 625196009 /nfs/dbraw/zinc/19/60/09/625196009.db2.gz IVGWDAYRXMUNAD-UHFFFAOYSA-N 1 2 305.275 2.067 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000733872158 633292108 /nfs/dbraw/zinc/29/21/08/633292108.db2.gz DIBZFFXCPDMYMU-AWEZNQCLSA-N 1 2 307.309 2.055 10 0 DEAELO O=C(Nc1ccc2[nH+]ccn2c1)c1ccc(-n2cccn2)nc1 ZINC000733968470 633306481 /nfs/dbraw/zinc/30/64/81/633306481.db2.gz VTKZEQAGBNJFAY-UHFFFAOYSA-N 1 2 304.313 2.167 10 0 DEAELO CC(C)(C)c1ccc2c(c1)CCN2C[C@@H](O)C[NH+]1CCOCC1 ZINC000178622026 636016876 /nfs/dbraw/zinc/01/68/76/636016876.db2.gz XRDFXQUWJADGOY-KRWDZBQOSA-N 1 2 318.461 2.040 10 0 DEAELO CCC1(CC)C[N@H+](C[C@@H](O)c2ccc(F)cc2)CC[S@@]1=O ZINC000249003963 636228055 /nfs/dbraw/zinc/22/80/55/636228055.db2.gz NNPMFFIFQSJCNI-VFNWGFHPSA-N 1 2 313.438 2.482 10 0 DEAELO CCC1(CC)C[N@@H+](C[C@@H](O)c2ccc(F)cc2)CC[S@@]1=O ZINC000249003963 636228057 /nfs/dbraw/zinc/22/80/57/636228057.db2.gz NNPMFFIFQSJCNI-VFNWGFHPSA-N 1 2 313.438 2.482 10 0 DEAELO O=C(NC[C@H]1CC1(Cl)Cl)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000726702887 636455880 /nfs/dbraw/zinc/45/58/80/636455880.db2.gz MZMVGXVKSKLRDT-SNVBAGLBSA-N 1 2 317.220 2.493 10 0 DEAELO C[C@H](CNC(=O)NC(C)(C)c1ccc(F)cc1)[NH+]1CCOCC1 ZINC000103304907 637770624 /nfs/dbraw/zinc/77/06/24/637770624.db2.gz WWTVDUOFLAQDTN-CYBMUJFWSA-N 1 2 323.412 2.081 10 0 DEAELO CC[N@H+](C/C=C(/C)C(=O)OC)CC(=O)Nc1cccc(OC)c1 ZINC000746499107 638348860 /nfs/dbraw/zinc/34/88/60/638348860.db2.gz FPVPXRCXCPHXTI-LCYFTJDESA-N 1 2 320.389 2.075 10 0 DEAELO CC[N@@H+](C/C=C(/C)C(=O)OC)CC(=O)Nc1cccc(OC)c1 ZINC000746499107 638348866 /nfs/dbraw/zinc/34/88/66/638348866.db2.gz FPVPXRCXCPHXTI-LCYFTJDESA-N 1 2 320.389 2.075 10 0 DEAELO Cc1cn(C(C)(C)C(=O)N[C@@H]2CCN(c3ccccc3)C2)c[nH+]1 ZINC000896214123 638420824 /nfs/dbraw/zinc/42/08/24/638420824.db2.gz GCOLZBPZOSXDSO-OAHLLOKOSA-N 1 2 312.417 2.322 10 0 DEAELO CN(CCC[N@@H+]1CCO[C@H](C(F)F)C1)C(=O)OC(C)(C)C ZINC000801563379 645416180 /nfs/dbraw/zinc/41/61/80/645416180.db2.gz OZHFIXZVTCRGAG-NSHDSACASA-N 1 2 308.369 2.209 10 0 DEAELO CN(CCC[N@H+]1CCO[C@H](C(F)F)C1)C(=O)OC(C)(C)C ZINC000801563379 645416183 /nfs/dbraw/zinc/41/61/83/645416183.db2.gz OZHFIXZVTCRGAG-NSHDSACASA-N 1 2 308.369 2.209 10 0 DEAELO Cc1cc2c(nc(N3CCCC3)[nH+]c2N2C[C@H](C)O[C@@H](C)C2)[nH]1 ZINC000223926470 646506410 /nfs/dbraw/zinc/50/64/10/646506410.db2.gz ASXKHEWIMXBUTE-STQMWFEESA-N 1 2 315.421 2.480 10 0 DEAELO CC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC([C@@H](C)O)CC2)C1 ZINC000173355302 646766967 /nfs/dbraw/zinc/76/69/67/646766967.db2.gz MIBLFQZIVIDARH-OLZOCXBDSA-N 1 2 324.490 2.475 10 0 DEAELO COC(C)(C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000174187887 646796189 /nfs/dbraw/zinc/79/61/89/646796189.db2.gz XDEDZWFOTQNVCB-UHFFFAOYSA-N 1 2 319.449 2.263 10 0 DEAELO CCCC[C@H]1NC(=O)N(C[N@H+](C)CCc2ccc(F)cc2)C1=O ZINC000064383338 648332188 /nfs/dbraw/zinc/33/21/88/648332188.db2.gz QSNURJSDNLIYCB-OAHLLOKOSA-N 1 2 321.396 2.368 10 0 DEAELO CCCC[C@H]1NC(=O)N(C[N@@H+](C)CCc2ccc(F)cc2)C1=O ZINC000064383338 648332191 /nfs/dbraw/zinc/33/21/91/648332191.db2.gz QSNURJSDNLIYCB-OAHLLOKOSA-N 1 2 321.396 2.368 10 0 DEAELO O=C(C[C@H](O)c1cccc(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180132388 648463007 /nfs/dbraw/zinc/46/30/07/648463007.db2.gz RJSBKJULARXFPP-CVEARBPZSA-N 1 2 317.364 2.137 10 0 DEAELO C[C@@H](C[NH+]1CCOCC1)OC(=O)c1cccc2ncccc21 ZINC000181634925 648715430 /nfs/dbraw/zinc/71/54/30/648715430.db2.gz KTTDJZHVUCUAKI-ZDUSSCGKSA-N 1 2 300.358 2.112 10 0 DEAELO COC[C@@]1(C)CC(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000185143624 649454931 /nfs/dbraw/zinc/45/49/31/649454931.db2.gz CWDUTWPTHCCJOU-SFHVURJKSA-N 1 2 314.429 2.376 10 0 DEAELO COC[C@@]1(C)CC(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000185143624 649454938 /nfs/dbraw/zinc/45/49/38/649454938.db2.gz CWDUTWPTHCCJOU-SFHVURJKSA-N 1 2 314.429 2.376 10 0 DEAELO C[C@H]([NH2+]Cc1cnn(C)n1)c1cc(Br)cs1 ZINC000381237337 685400305 /nfs/dbraw/zinc/40/03/05/685400305.db2.gz MFGZUBBXMKOUIW-ZETCQYMHSA-N 1 2 301.213 2.490 10 0 DEAELO CCO[C@H](C)c1nc(C[N@H+](C)CCC2OCCO2)cs1 ZINC000124449548 684135364 /nfs/dbraw/zinc/13/53/64/684135364.db2.gz DJNBDQWZGYDDAJ-LLVKDONJSA-N 1 2 300.424 2.435 10 0 DEAELO CCO[C@H](C)c1nc(C[N@@H+](C)CCC2OCCO2)cs1 ZINC000124449548 684135366 /nfs/dbraw/zinc/13/53/66/684135366.db2.gz DJNBDQWZGYDDAJ-LLVKDONJSA-N 1 2 300.424 2.435 10 0 DEAELO Cc1cnc(=S)n(C[NH+]2CCC(Nc3cccnn3)CC2)c1 ZINC000133186530 684217323 /nfs/dbraw/zinc/21/73/23/684217323.db2.gz IIYMXLFVDOMFQR-UHFFFAOYSA-N 1 2 316.434 2.245 10 0 DEAELO CC[C@@H]1C[N@H+](CN2Cc3ccc(OC)cc3C2=O)CCS1 ZINC000189746779 684387992 /nfs/dbraw/zinc/38/79/92/684387992.db2.gz JYSNDRFYILVZKC-CQSZACIVSA-N 1 2 306.431 2.436 10 0 DEAELO CC[C@@H]1C[N@@H+](CN2Cc3ccc(OC)cc3C2=O)CCS1 ZINC000189746779 684387996 /nfs/dbraw/zinc/38/79/96/684387996.db2.gz JYSNDRFYILVZKC-CQSZACIVSA-N 1 2 306.431 2.436 10 0 DEAELO CC(C)(C)OC(=O)C[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1C[C@H]1C1CC1 ZINC000245801029 685118426 /nfs/dbraw/zinc/11/84/26/685118426.db2.gz ZHVROOCVNUQLSI-ILXRZTDVSA-N 1 2 323.433 2.382 10 0 DEAELO CC(C)(C)OC(=O)C[N@H+]1CCC[C@@H]1COC(=O)[C@H]1C[C@H]1C1CC1 ZINC000245801029 685118430 /nfs/dbraw/zinc/11/84/30/685118430.db2.gz ZHVROOCVNUQLSI-ILXRZTDVSA-N 1 2 323.433 2.382 10 0 DEAELO CCC1(CC)C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@]1=O ZINC000249009325 685172533 /nfs/dbraw/zinc/17/25/33/685172533.db2.gz OJFISXHWQPPBNH-OPAMFIHVSA-N 1 2 320.458 2.215 10 0 DEAELO CCC1(CC)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[S@]1=O ZINC000249009325 685172534 /nfs/dbraw/zinc/17/25/34/685172534.db2.gz OJFISXHWQPPBNH-OPAMFIHVSA-N 1 2 320.458 2.215 10 0 DEAELO CC(=O)N(c1nc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cs1)C1CC1 ZINC000249056135 685173314 /nfs/dbraw/zinc/17/33/14/685173314.db2.gz OYDHHILNOMICLJ-QHBPRCKVSA-N 1 2 323.462 2.392 10 0 DEAELO CC(=O)N(c1nc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)cs1)C1CC1 ZINC000249056135 685173319 /nfs/dbraw/zinc/17/33/19/685173319.db2.gz OYDHHILNOMICLJ-QHBPRCKVSA-N 1 2 323.462 2.392 10 0 DEAELO C[C@@H]1CN(CC[N@@H+]2CCC=C(Br)C2)C[C@@H](C)O1 ZINC000404226591 777417863 /nfs/dbraw/zinc/41/78/63/777417863.db2.gz LQFNWLVIFUWKIO-VXGBXAGGSA-N 1 2 303.244 2.080 10 0 DEAELO C[C@@H]1CN(CC[N@H+]2CCC=C(Br)C2)C[C@@H](C)O1 ZINC000404226591 777417868 /nfs/dbraw/zinc/41/78/68/777417868.db2.gz LQFNWLVIFUWKIO-VXGBXAGGSA-N 1 2 303.244 2.080 10 0 DEAELO CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000724915360 777520034 /nfs/dbraw/zinc/52/00/34/777520034.db2.gz SUSCHUFEVRNYKP-WCQYABFASA-N 1 2 306.410 2.386 10 0 DEAELO C[NH+](C)Cc1csc(CNC(=O)c2cccc(Cl)n2)n1 ZINC000722403829 778708573 /nfs/dbraw/zinc/70/85/73/778708573.db2.gz JUOSTPMDMUIHCX-UHFFFAOYSA-N 1 2 310.810 2.183 10 0 DEAELO C/C(=C/c1ccc(F)cc1)C(=O)OCC[N@@H+]1CCO[C@@H](C)C1 ZINC000800177670 799331190 /nfs/dbraw/zinc/33/11/90/799331190.db2.gz KRZNTTVRBDOXCR-FZDNWWAKSA-N 1 2 307.365 2.493 10 0 DEAELO C/C(=C/c1ccc(F)cc1)C(=O)OCC[N@H+]1CCO[C@@H](C)C1 ZINC000800177670 799331198 /nfs/dbraw/zinc/33/11/98/799331198.db2.gz KRZNTTVRBDOXCR-FZDNWWAKSA-N 1 2 307.365 2.493 10 0 DEAELO Cn1cc(C[NH2+]Cc2cccc(F)c2N)c(Br)n1 ZINC000720685388 1085934185 /nfs/dbraw/zinc/93/41/85/1085934185.db2.gz UARBPPDFBJJIBX-UHFFFAOYSA-N 1 2 313.174 2.194 10 0 DEAELO CC(C)(C)OC(=O)N1CC[C@]2([NH2+]Cc3ccn[nH]3)CCC[C@H]12 ZINC000711619268 1087176662 /nfs/dbraw/zinc/17/66/62/1087176662.db2.gz VEJXMRORJVOARR-XJKSGUPXSA-N 1 2 306.410 2.431 10 0 DEAELO CC[C@@]1(C)C[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000135632219 282078999 /nfs/dbraw/zinc/07/89/99/282078999.db2.gz DFNZVWNMSJXONX-JSGCOSHPSA-N 1 2 322.371 2.288 10 0 DEAELO CC[C@@]1(C)C[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000135632219 282079000 /nfs/dbraw/zinc/07/90/00/282079000.db2.gz DFNZVWNMSJXONX-JSGCOSHPSA-N 1 2 322.371 2.288 10 0 DEAELO O=C(c1ccc(-c2[nH]cc[nH+]2)cc1)N1CCC2(CC1)OCCO2 ZINC000074696196 185010562 /nfs/dbraw/zinc/01/05/62/185010562.db2.gz WDXNMSLNFYRUSB-UHFFFAOYSA-N 1 2 313.357 2.056 10 0 DEAELO Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)C3CC3)CC2)s1 ZINC000074767122 185016373 /nfs/dbraw/zinc/01/63/73/185016373.db2.gz GDOBVXHOXWOLHI-GFCCVEGCSA-N 1 2 314.476 2.161 10 0 DEAELO C/C(=C\c1ccccc1)CN(C)C(=O)NC[C@H]1COCC[N@@H+]1C ZINC000624730001 365527503 /nfs/dbraw/zinc/52/75/03/365527503.db2.gz MCEGUZKOHRPJIX-JMPLCFMRSA-N 1 2 317.433 2.062 10 0 DEAELO C/C(=C\c1ccccc1)CN(C)C(=O)NC[C@H]1COCC[N@H+]1C ZINC000624730001 365527509 /nfs/dbraw/zinc/52/75/09/365527509.db2.gz MCEGUZKOHRPJIX-JMPLCFMRSA-N 1 2 317.433 2.062 10 0 DEAELO C[NH2+][C@@H](CCSc1ncccc1Br)C(=O)OC ZINC000079446891 185171978 /nfs/dbraw/zinc/17/19/78/185171978.db2.gz FOIQQXYSQQPIPG-VIFPVBQESA-N 1 2 319.224 2.087 10 0 DEAELO Cn1cc[nH+]c1[C@H]1CN(C(=O)CC2=CCCCC2)CCN1C ZINC000328618370 231250105 /nfs/dbraw/zinc/25/01/05/231250105.db2.gz DRRRWTMDKQTYIS-OAHLLOKOSA-N 1 2 302.422 2.126 10 0 DEAELO O=C(C[C@H]1CCCCC(=O)N1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000328831808 231361493 /nfs/dbraw/zinc/36/14/93/231361493.db2.gz RIVYNTYGJRVIQB-HIFRSBDPSA-N 1 2 317.389 2.351 10 0 DEAELO Cc1ncsc1CNc1nc(N)[nH+]cc1Br ZINC000087829742 185232432 /nfs/dbraw/zinc/23/24/32/185232432.db2.gz DSUSIVVCIATKJZ-UHFFFAOYSA-N 1 2 300.185 2.198 10 0 DEAELO NNc1ccc(S(=O)(=O)Nc2ccc3sccc3c2)c[nH+]1 ZINC000088129061 185240306 /nfs/dbraw/zinc/24/03/06/185240306.db2.gz LHXNNTRNIZUKJX-UHFFFAOYSA-N 1 2 320.399 2.383 10 0 DEAELO CC[C@H](C(N)=S)S(=O)(=O)Nc1cc(C)[nH+]c2ccccc12 ZINC000088486902 185253087 /nfs/dbraw/zinc/25/30/87/185253087.db2.gz KWZZNCXXHBFNQR-CYBMUJFWSA-N 1 2 323.443 2.350 10 0 DEAELO O=C(NCc1c[nH+]c[nH]1)c1cc(Br)cn1C1CC1 ZINC000088751415 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C[C@H](NC(=O)N[C@H]1CCC[C@@H]1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875814 539355500 /nfs/dbraw/zinc/35/55/00/539355500.db2.gz SKJMERTXKNFADM-RCBQFDQVSA-N 1 2 314.389 2.146 10 0 DEAELO c1cc([C@@H]2CCC[N@H+]2Cc2nnnn2C2CC2)cc2c1OCO2 ZINC000077381873 539362978 /nfs/dbraw/zinc/36/29/78/539362978.db2.gz CBUZEZXTNOKQFE-ZDUSSCGKSA-N 1 2 313.361 2.074 10 0 DEAELO c1cc([C@@H]2CCC[N@@H+]2Cc2nnnn2C2CC2)cc2c1OCO2 ZINC000077381873 539362982 /nfs/dbraw/zinc/36/29/82/539362982.db2.gz CBUZEZXTNOKQFE-ZDUSSCGKSA-N 1 2 313.361 2.074 10 0 DEAELO CC(=O)c1ccccc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091881 362281246 /nfs/dbraw/zinc/28/12/46/362281246.db2.gz BWFJVFZPTSYJSY-CVEARBPZSA-N 1 2 304.365 2.148 10 0 DEAELO [NH3+][C@@H](CC(=O)NCc1cccc(Br)c1)C(F)F ZINC000724767480 787353057 /nfs/dbraw/zinc/35/30/57/787353057.db2.gz UGIUFRXPOZZETP-VIFPVBQESA-N 1 2 307.138 2.048 10 0 DEAELO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CC(CO)C1 ZINC000192181315 282337830 /nfs/dbraw/zinc/33/78/30/282337830.db2.gz 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CN1C[C@]2(CCC[N@@H+](Cc3noc(C(C)(C)C)n3)CC2)OC1=O ZINC000072153333 191058232 /nfs/dbraw/zinc/05/82/32/191058232.db2.gz LOGVNXPONCSHJC-MRXNPFEDSA-N 1 2 322.409 2.174 10 0 DEAELO CC[C@@H](NC(=O)c1cc(Br)cnc1N)c1[nH]cc[nH+]1 ZINC000141754371 186030950 /nfs/dbraw/zinc/03/09/50/186030950.db2.gz BWCITADWJXQFOK-SECBINFHSA-N 1 2 324.182 2.031 10 0 DEAELO C[C@H](c1ccccc1Cl)N(C)c1nc(N)[nH+]c(N(C)C)n1 ZINC000149582120 186050892 /nfs/dbraw/zinc/05/08/92/186050892.db2.gz LVZZBOWUSQTRTM-SECBINFHSA-N 1 2 306.801 2.371 10 0 DEAELO C[C@H](c1ccccc1Cl)N(C)c1nc(N(C)C)nc(N)[nH+]1 ZINC000149582120 186050894 /nfs/dbraw/zinc/05/08/94/186050894.db2.gz LVZZBOWUSQTRTM-SECBINFHSA-N 1 2 306.801 2.371 10 0 DEAELO Cn1ncc(C[NH2+][C@H]2CCOc3ccc(Br)cc32)n1 ZINC000287130329 219333473 /nfs/dbraw/zinc/33/34/73/219333473.db2.gz RRBPRXYBHHSYGK-LBPRGKRZSA-N 1 2 323.194 2.191 10 0 DEAELO CC[C@]1(C(=O)c2c(Br)cnn2C)CCC[NH2+]C1 ZINC000164235870 186153263 /nfs/dbraw/zinc/15/32/63/186153263.db2.gz CYJMMHMYGJWKKA-LBPRGKRZSA-N 1 2 300.200 2.145 10 0 DEAELO CCOc1cc(C(=O)NCC[N@@H+]2CCOCC2(C)C)ccc1C ZINC000172019194 198026592 /nfs/dbraw/zinc/02/65/92/198026592.db2.gz BXLLFJWOJLFOAQ-UHFFFAOYSA-N 1 2 320.433 2.234 10 0 DEAELO CCOc1cc(C(=O)NCC[N@H+]2CCOCC2(C)C)ccc1C ZINC000172019194 198026594 /nfs/dbraw/zinc/02/65/94/198026594.db2.gz BXLLFJWOJLFOAQ-UHFFFAOYSA-N 1 2 320.433 2.234 10 0 DEAELO CCSc1cccc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000172420841 198095294 /nfs/dbraw/zinc/09/52/94/198095294.db2.gz KPKDSGZHLUHITA-CYBMUJFWSA-N 1 2 309.435 2.251 10 0 DEAELO CCSc1cccc(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000172420841 198095295 /nfs/dbraw/zinc/09/52/95/198095295.db2.gz KPKDSGZHLUHITA-CYBMUJFWSA-N 1 2 309.435 2.251 10 0 DEAELO Cc1nnc([C@H](C)[N@@H+]2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 ZINC000329653756 539926459 /nfs/dbraw/zinc/92/64/59/539926459.db2.gz DZBAQUWVCPGZOF-WCQYABFASA-N 1 2 317.393 2.053 10 0 DEAELO Cc1nnc([C@H](C)[N@H+]2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 ZINC000329653756 539926462 /nfs/dbraw/zinc/92/64/62/539926462.db2.gz DZBAQUWVCPGZOF-WCQYABFASA-N 1 2 317.393 2.053 10 0 DEAELO O=S(=O)([C@@H]1C[C@@H]2CC[C@H]1C2)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000333162798 539950112 /nfs/dbraw/zinc/95/01/12/539950112.db2.gz MDRFBYLJLFVXPG-XJFOESAGSA-N 1 2 309.435 2.455 10 0 DEAELO Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2C[NH+]2CCOCC2)o1 ZINC000173464527 198217429 /nfs/dbraw/zinc/21/74/29/198217429.db2.gz LOSAONUPYLXHCW-GJZGRUSLSA-N 1 2 321.421 2.155 10 0 DEAELO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)cc1C ZINC000173825483 198257541 /nfs/dbraw/zinc/25/75/41/198257541.db2.gz MCJIPAMGQZZTEB-WBVHZDCISA-N 1 2 302.418 2.096 10 0 DEAELO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)CC1(C)C ZINC000333136312 282919552 /nfs/dbraw/zinc/91/95/52/282919552.db2.gz IPBFDAIPYLALJT-RQJABVFESA-N 1 2 323.462 2.321 10 0 DEAELO [NH2+]=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc2ccccc21 ZINC000004226915 181086158 /nfs/dbraw/zinc/08/61/58/181086158.db2.gz CRLWOBVYEUPPBQ-KGLIPLIRSA-N 1 2 318.423 2.493 10 0 DEAELO CCCCc1noc([C@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)n1 ZINC000044584631 354238697 /nfs/dbraw/zinc/23/86/97/354238697.db2.gz GTKWLJCRRXWGCA-LBPRGKRZSA-N 1 2 308.426 2.273 10 0 DEAELO CCOc1ccc(C[NH+]2CCN(C(=O)CSC)CC2)cc1 ZINC000053718588 354442614 /nfs/dbraw/zinc/44/26/14/354442614.db2.gz FSYLNONDIGNBLQ-UHFFFAOYSA-N 1 2 308.447 2.093 10 0 DEAELO Brc1cnc(NCc2cn3c([nH+]2)CCCC3)nc1 ZINC000067371470 354759683 /nfs/dbraw/zinc/75/96/83/354759683.db2.gz SALMZPJTCVMFJD-UHFFFAOYSA-N 1 2 308.183 2.384 10 0 DEAELO Cc1nc(N2C[C@H](O)CC[C@@H]2C)c(Br)c(C)[nH+]1 ZINC000399319296 540141102 /nfs/dbraw/zinc/14/11/02/540141102.db2.gz HKDYQPKMQDWIQW-OIBJUYFYSA-N 1 2 300.200 2.206 10 0 DEAELO Nc1nc(NC2CCCC2)c(I)c[nH+]1 ZINC000117687202 355778020 /nfs/dbraw/zinc/77/80/20/355778020.db2.gz XHUFOBOIFMAKBW-UHFFFAOYSA-N 1 2 304.135 2.018 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNS(=O)(=O)c1cccc(F)c1 ZINC000182415437 356126253 /nfs/dbraw/zinc/12/62/53/356126253.db2.gz DVEWSGXLVUHJHC-UHFFFAOYSA-N 1 2 311.382 2.157 10 0 DEAELO COC[C@@H]([NH2+]Cc1nnnn1C(C)C)c1ccc(F)c(F)c1 ZINC000181446409 356081606 /nfs/dbraw/zinc/08/16/06/356081606.db2.gz HPHPZEKTDVCNGX-CYBMUJFWSA-N 1 2 311.336 2.010 10 0 DEAELO CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000193609392 356228384 /nfs/dbraw/zinc/22/83/84/356228384.db2.gz YFJJGRBPBNRKRU-CYBMUJFWSA-N 1 2 324.387 2.440 10 0 DEAELO CC(C)CCOCCNC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000193609392 356228388 /nfs/dbraw/zinc/22/83/88/356228388.db2.gz YFJJGRBPBNRKRU-CYBMUJFWSA-N 1 2 324.387 2.440 10 0 DEAELO Cc1nc(N2CCN(C(=O)N[C@H](C)C(C)(C)C)CC2)cc[nH+]1 ZINC000184998663 356200692 /nfs/dbraw/zinc/20/06/92/356200692.db2.gz VSNAXJCSOBPHFH-GFCCVEGCSA-N 1 2 305.426 2.051 10 0 DEAELO C[C@H]([NH3+])c1csc(NS(=O)(=O)c2cccc(F)c2)n1 ZINC000080870447 192196311 /nfs/dbraw/zinc/19/63/11/192196311.db2.gz FPZPLFFNOANCSJ-ZETCQYMHSA-N 1 2 301.368 2.103 10 0 DEAELO O=C(C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)NCCCc1ccccc1 ZINC000255005548 356337226 /nfs/dbraw/zinc/33/72/26/356337226.db2.gz KEWLYVDRUPJHBM-QZTJIDSGSA-N 1 2 316.445 2.379 10 0 DEAELO O=C(C[N@H+]1CCO[C@@H]2CCCC[C@H]21)NCCCc1ccccc1 ZINC000255005548 356337230 /nfs/dbraw/zinc/33/72/30/356337230.db2.gz KEWLYVDRUPJHBM-QZTJIDSGSA-N 1 2 316.445 2.379 10 0 DEAELO CN1CCN(C(=O)c2cc3ccccc3[nH]2)C[C@H]1c1[nH]cc[nH+]1 ZINC000328625682 356462884 /nfs/dbraw/zinc/46/28/84/356462884.db2.gz KXLJKFAQYUBWKH-HNNXBMFYSA-N 1 2 309.373 2.020 10 0 DEAELO Cn1c[nH+]cc1[C@H]1C[C@H](N=c2nc(C(C)(C)C)[nH]s2)CCO1 ZINC000328633381 356464891 /nfs/dbraw/zinc/46/48/91/356464891.db2.gz SOOIZXFHBPPHIM-ZYHUDNBSSA-N 1 2 321.450 2.323 10 0 DEAELO CN(C)c1ccc(N[C@H]2CCCN(c3ncccn3)CC2)c[nH+]1 ZINC000328645191 356465526 /nfs/dbraw/zinc/46/55/26/356465526.db2.gz SCHGMJYOYOKLSF-AWEZNQCLSA-N 1 2 312.421 2.409 10 0 DEAELO c1c(N2CC[NH+](Cc3cnc(C4CC4)nc3)CC2)n[nH]c1C1CC1 ZINC000579924973 357053161 /nfs/dbraw/zinc/05/31/61/357053161.db2.gz ICEVUHRCBFLMKR-UHFFFAOYSA-N 1 2 324.432 2.277 10 0 DEAELO Cc1ccn2cc(CNC(=O)NCCOCC3CCC3)[nH+]c2c1 ZINC000584832223 357316984 /nfs/dbraw/zinc/31/69/84/357316984.db2.gz RSKOGOFUBRHGFL-UHFFFAOYSA-N 1 2 316.405 2.259 10 0 DEAELO c1ncn(-c2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)n1 ZINC000591704940 357752466 /nfs/dbraw/zinc/75/24/66/357752466.db2.gz BTLQOSMRVPZKQD-UHFFFAOYSA-N 1 2 304.357 2.433 10 0 DEAELO CC[C@H](CSC)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000180763735 199206566 /nfs/dbraw/zinc/20/65/66/199206566.db2.gz UPCQHHPRYIZOOR-CYBMUJFWSA-N 1 2 319.434 2.208 10 0 DEAELO Cc1nn(C)c(C[N@@H+]2CCCSCC2)c1Br ZINC000089232404 192746111 /nfs/dbraw/zinc/74/61/11/192746111.db2.gz PEKKEBCEIROKAR-UHFFFAOYSA-N 1 2 304.257 2.430 10 0 DEAELO Cc1nn(C)c(C[N@H+]2CCCSCC2)c1Br ZINC000089232404 192746113 /nfs/dbraw/zinc/74/61/13/192746113.db2.gz PEKKEBCEIROKAR-UHFFFAOYSA-N 1 2 304.257 2.430 10 0 DEAELO CCCn1c(C[N@@H+]2CCO[C@]3(CCOC3)C2)nc2ccccc21 ZINC000187540138 200125374 /nfs/dbraw/zinc/12/53/74/200125374.db2.gz WAGHXSXDQHRJKL-GOSISDBHSA-N 1 2 315.417 2.438 10 0 DEAELO CCCn1c(C[N@H+]2CCO[C@]3(CCOC3)C2)nc2ccccc21 ZINC000187540138 200125376 /nfs/dbraw/zinc/12/53/76/200125376.db2.gz WAGHXSXDQHRJKL-GOSISDBHSA-N 1 2 315.417 2.438 10 0 DEAELO CN(C)c1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cn1 ZINC000601114820 359926531 /nfs/dbraw/zinc/92/65/31/359926531.db2.gz COMKIPCPJAIWIM-AWEZNQCLSA-N 1 2 314.393 2.213 10 0 DEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000189344147 200384504 /nfs/dbraw/zinc/38/45/04/200384504.db2.gz FRGYCXRAPAWYLH-GLQYFDAESA-N 1 2 321.352 2.013 10 0 DEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000189344147 200384506 /nfs/dbraw/zinc/38/45/06/200384506.db2.gz FRGYCXRAPAWYLH-GLQYFDAESA-N 1 2 321.352 2.013 10 0 DEAELO CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)cn1 ZINC000603883623 360869775 /nfs/dbraw/zinc/86/97/75/360869775.db2.gz HHUCHPGKKSRCFK-UHFFFAOYSA-N 1 2 311.345 2.107 10 0 DEAELO O=C(CCNC(=O)c1cccs1)Nc1ccc2[nH+]ccn2c1 ZINC000603784983 360858281 /nfs/dbraw/zinc/85/82/81/360858281.db2.gz DQDOAECZAGENTQ-UHFFFAOYSA-N 1 2 314.370 2.154 10 0 DEAELO CC(=O)NCc1ccc(C(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000603785558 360858891 /nfs/dbraw/zinc/85/88/91/360858891.db2.gz BUAQGGXJVREJDO-UHFFFAOYSA-N 1 2 308.341 2.223 10 0 DEAELO C[C@@H](COCC(F)(F)F)NC(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582555 361023278 /nfs/dbraw/zinc/02/32/78/361023278.db2.gz UOSUFSLKAUYSNK-VIFPVBQESA-N 1 2 316.283 2.423 10 0 DEAELO Cc1cc(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)n(C)n1 ZINC000608207625 361183687 /nfs/dbraw/zinc/18/36/87/361183687.db2.gz XXNKJGULTHMDAY-HNNXBMFYSA-N 1 2 323.400 2.176 10 0 DEAELO COC(=O)[C@@H](COC(C)C)[N@H+](C)CCOc1ccc(F)cc1 ZINC000610826742 361473426 /nfs/dbraw/zinc/47/34/26/361473426.db2.gz OHMCBVBSRHTJDS-OAHLLOKOSA-N 1 2 313.369 2.103 10 0 DEAELO COC(=O)[C@@H](COC(C)C)[N@@H+](C)CCOc1ccc(F)cc1 ZINC000610826742 361473430 /nfs/dbraw/zinc/47/34/30/361473430.db2.gz OHMCBVBSRHTJDS-OAHLLOKOSA-N 1 2 313.369 2.103 10 0 DEAELO Cc1n[nH]c(C)c1C[N@H+]1C[C@@H](C)O[C@@H](c2nc(C3CC3)no2)C1 ZINC000623173476 364906326 /nfs/dbraw/zinc/90/63/26/364906326.db2.gz 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COC(=O)[C@@]1([NH2+]C2CC2)CC[C@H](Sc2ncc(C)cn2)C1 ZINC000093852042 193318824 /nfs/dbraw/zinc/31/88/24/193318824.db2.gz ZNZOBTFMPHFLSX-SWLSCSKDSA-N 1 2 307.419 2.093 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)Cc1ccon1)C2 ZINC000530285630 284395249 /nfs/dbraw/zinc/39/52/49/284395249.db2.gz UQLAGRNMWATZBK-LLVKDONJSA-N 1 2 302.378 2.285 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)Cc1ccon1)CC2 ZINC000530285630 284395251 /nfs/dbraw/zinc/39/52/51/284395251.db2.gz UQLAGRNMWATZBK-LLVKDONJSA-N 1 2 302.378 2.285 10 0 DEAELO O=C(NCC[C@H]1CCCC[NH2+]1)c1cc(F)c(F)c(O)c1F ZINC000021036325 182262327 /nfs/dbraw/zinc/26/23/27/182262327.db2.gz MTAPJTAVUYOEDX-MRVPVSSYSA-N 1 2 302.296 2.072 10 0 DEAELO COc1ccc(Nc2nc[nH+]c(N3CCCC3)c2N)c(OC)c1 ZINC000040724290 183124819 /nfs/dbraw/zinc/12/48/19/183124819.db2.gz RUUXDHLRXBGQRW-UHFFFAOYSA-N 1 2 315.377 2.420 10 0 DEAELO C[NH+]1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCCC3)CC1 ZINC000041460811 183192764 /nfs/dbraw/zinc/19/27/64/183192764.db2.gz 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/nfs/dbraw/zinc/16/06/38/194160638.db2.gz IWJULXKHCKGMTH-GOSISDBHSA-N 1 2 315.417 2.280 10 0 DEAELO CCc1noc([C@@H](C)[NH+]2CCC(c3nncn3CC)CC2)n1 ZINC000105928899 194172195 /nfs/dbraw/zinc/17/21/95/194172195.db2.gz BGKIYBLTTDNXFJ-LLVKDONJSA-N 1 2 304.398 2.184 10 0 DEAELO C[C@H]1CCC[C@H](C)N(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000552736913 291726100 /nfs/dbraw/zinc/72/61/00/291726100.db2.gz ZRWHBRJXDBNBBV-STQMWFEESA-N 1 2 314.389 2.310 10 0 DEAELO O=C(C[NH+]1Cc2ccccc2C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000106302887 194195073 /nfs/dbraw/zinc/19/50/73/194195073.db2.gz NIVRQGCSGROFGE-SJORKVTESA-N 1 2 300.402 2.172 10 0 DEAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CCC[C@@H](C)C1)C2 ZINC000106372681 194202443 /nfs/dbraw/zinc/20/24/43/194202443.db2.gz KJQQTBSGZPJZKW-CQSZACIVSA-N 1 2 318.465 2.160 10 0 DEAELO CC[NH2+][C@@]1(c2nc(C(C)(C)C)cs2)CCS(=O)(=O)C1 ZINC000062963269 184263037 /nfs/dbraw/zinc/26/30/37/184263037.db2.gz GMLRZWOIOKWOQO-ZDUSSCGKSA-N 1 2 302.465 2.064 10 0 DEAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](CCc2csc(C)n2)C1 ZINC000328624747 532969832 /nfs/dbraw/zinc/96/98/32/532969832.db2.gz KDNPOERKOYPYSR-CHWSQXEVSA-N 1 2 308.407 2.147 10 0 DEAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](CCc2csc(C)n2)C1 ZINC000328624747 532969837 /nfs/dbraw/zinc/96/98/37/532969837.db2.gz KDNPOERKOYPYSR-CHWSQXEVSA-N 1 2 308.407 2.147 10 0 DEAELO COc1cc2c(cc1C[N@@H+]1CCN(C(C)=O)C[C@@H]1C)O[C@H](C)C2 ZINC000538727786 285052826 /nfs/dbraw/zinc/05/28/26/285052826.db2.gz WRLRZTKRAKYUFP-QWHCGFSZSA-N 1 2 318.417 2.071 10 0 DEAELO COc1cc2c(cc1C[N@H+]1CCN(C(C)=O)C[C@@H]1C)O[C@H](C)C2 ZINC000538727786 285052828 /nfs/dbraw/zinc/05/28/28/285052828.db2.gz WRLRZTKRAKYUFP-QWHCGFSZSA-N 1 2 318.417 2.071 10 0 DEAELO CCCn1ncc(Br)c1[C@H]([NH2+]C)c1cnccn1 ZINC000158794343 197301995 /nfs/dbraw/zinc/30/19/95/197301995.db2.gz MXBKHSKKMVYEBH-LLVKDONJSA-N 1 2 310.199 2.154 10 0 DEAELO CC1(C)CN(C[C@H](O)C[NH+]2CCOCC2)c2cccc(Cl)c21 ZINC000157984067 197232956 /nfs/dbraw/zinc/23/29/56/197232956.db2.gz 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ZINC000248809488 536553296 /nfs/dbraw/zinc/55/32/96/536553296.db2.gz HJFKEVUNNAIJDZ-LNSITVRQSA-N 1 2 303.358 2.189 10 0 DEAELO O=C(/C=C\c1ccccc1Cl)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000255298183 624134764 /nfs/dbraw/zinc/13/47/64/624134764.db2.gz PVHXPDXBDGFWDY-IYKSTZQJSA-N 1 2 320.820 2.286 10 0 DEAELO CC(C)c1nn(C)c(N2CCOCC2)c1CNc1cccc[nH+]1 ZINC000157436867 624198847 /nfs/dbraw/zinc/19/88/47/624198847.db2.gz CKMOAZLTHWGFAM-UHFFFAOYSA-N 1 2 315.421 2.387 10 0 DEAELO CNc1[nH+]cnc2c1cnn2CC(=O)NC1CCCCCCC1 ZINC000194421538 625712012 /nfs/dbraw/zinc/71/20/12/625712012.db2.gz ZSXZRYDKVZBYJJ-UHFFFAOYSA-N 1 2 316.409 2.097 10 0 DEAELO CN(CC(=O)Nc1ccc2[nH+]ccn2c1)C(=O)OC(C)(C)C ZINC000733880067 633293205 /nfs/dbraw/zinc/29/32/05/633293205.db2.gz CUMCAOFDWIRZCB-UHFFFAOYSA-N 1 2 304.350 2.140 10 0 DEAELO C/C(=C/c1ccc(F)cc1)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1 ZINC000749365884 638639313 /nfs/dbraw/zinc/63/93/13/638639313.db2.gz SWSJBEXASZDBIU-FZDNWWAKSA-N 1 2 306.381 2.066 10 0 DEAELO C/C(=C/c1ccc(F)cc1)C(=O)NCC[N@H+]1CCO[C@@H](C)C1 ZINC000749365884 638639315 /nfs/dbraw/zinc/63/93/15/638639315.db2.gz SWSJBEXASZDBIU-FZDNWWAKSA-N 1 2 306.381 2.066 10 0 DEAELO O=C(NC[C@@]1(O)CCc2ccccc21)Nc1ccc2[nH+]ccn2c1 ZINC000752253982 639167173 /nfs/dbraw/zinc/16/71/73/639167173.db2.gz UXXVUDIEEOKEGG-SFHVURJKSA-N 1 2 322.368 2.290 10 0 DEAELO COC(=O)C[C@H](C)Nc1nc(C)[nH+]c(C)c1Br ZINC000323304644 641355075 /nfs/dbraw/zinc/35/50/75/641355075.db2.gz OXZGHBPXAUVBGP-LURJTMIESA-N 1 2 302.172 2.219 10 0 DEAELO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CCO[C@H](C(F)F)C1 ZINC000801012773 645331038 /nfs/dbraw/zinc/33/10/38/645331038.db2.gz WBBOTAQFAXCUBJ-AWEZNQCLSA-N 1 2 321.327 2.038 10 0 DEAELO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CN2CCCC2=O)c1 ZINC000113238745 651669143 /nfs/dbraw/zinc/66/91/43/651669143.db2.gz UMDSAXADXGEQGB-OAHLLOKOSA-N 1 2 304.390 2.421 10 0 DEAELO COc1ccc(OC)c([C@H]2CCC[N@H+]2CN2CCCC2=O)c1 ZINC000113238745 651669145 /nfs/dbraw/zinc/66/91/45/651669145.db2.gz UMDSAXADXGEQGB-OAHLLOKOSA-N 1 2 304.390 2.421 10 0 DEAELO CC[NH+]1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000038408272 683886847 /nfs/dbraw/zinc/88/68/47/683886847.db2.gz CTWUELKGVVBTBM-KPKJPENVSA-N 1 2 314.838 2.278 10 0 DEAELO Cc1oncc1C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000128541954 684171783 /nfs/dbraw/zinc/17/17/83/684171783.db2.gz MJBNBDHYYVDGKO-UHFFFAOYSA-N 1 2 317.437 2.252 10 0 DEAELO CC(=O)N[C@@H]1CCC[N@H+](Cn2cc(-c3ccc(C)cc3)cn2)C1 ZINC000133041224 684215775 /nfs/dbraw/zinc/21/57/75/684215775.db2.gz NRAGDAVPYADGBE-GOSISDBHSA-N 1 2 312.417 2.417 10 0 DEAELO CC(=O)N[C@@H]1CCC[N@@H+](Cn2cc(-c3ccc(C)cc3)cn2)C1 ZINC000133041224 684215777 /nfs/dbraw/zinc/21/57/77/684215777.db2.gz NRAGDAVPYADGBE-GOSISDBHSA-N 1 2 312.417 2.417 10 0 DEAELO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCCC2(C1)OCCO2)c1ccccc1 ZINC000159081570 684309103 /nfs/dbraw/zinc/30/91/03/684309103.db2.gz APGZAEZFXLWYQZ-CABCVRRESA-N 1 2 318.417 2.091 10 0 DEAELO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCCC2(C1)OCCO2)c1ccccc1 ZINC000159081570 684309106 /nfs/dbraw/zinc/30/91/06/684309106.db2.gz APGZAEZFXLWYQZ-CABCVRRESA-N 1 2 318.417 2.091 10 0 DEAELO CCn1cc[nH+]c1Cn1ccnc1[C@H](O)c1ccc(F)cc1 ZINC000189544360 684383694 /nfs/dbraw/zinc/38/36/94/684383694.db2.gz JTVSFCURJFSLKJ-OAHLLOKOSA-N 1 2 300.337 2.369 10 0 DEAELO COc1ccc2c(c1)C(=O)N(C[N@@H+]1CCS[C@@H](C)[C@@H]1C)C2 ZINC000189738869 684387227 /nfs/dbraw/zinc/38/72/27/684387227.db2.gz GCOOBEMRMAMHOJ-RYUDHWBXSA-N 1 2 306.431 2.434 10 0 DEAELO COc1ccc2c(c1)C(=O)N(C[N@H+]1CCS[C@@H](C)[C@@H]1C)C2 ZINC000189738869 684387230 /nfs/dbraw/zinc/38/72/30/684387230.db2.gz GCOOBEMRMAMHOJ-RYUDHWBXSA-N 1 2 306.431 2.434 10 0 DEAELO CO[C@@H]1C[N@H+](Cn2nc3nc(C)cc(C)n3c2=S)CC[C@H]1C ZINC000190200569 684398119 /nfs/dbraw/zinc/39/81/19/684398119.db2.gz BTDIXYUNHRVAOL-ZWNOBZJWSA-N 1 2 321.450 2.191 10 0 DEAELO CO[C@@H]1C[N@@H+](Cn2nc3nc(C)cc(C)n3c2=S)CC[C@H]1C ZINC000190200569 684398123 /nfs/dbraw/zinc/39/81/23/684398123.db2.gz BTDIXYUNHRVAOL-ZWNOBZJWSA-N 1 2 321.450 2.191 10 0 DEAELO Cc1ncsc1CC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000245978551 685121401 /nfs/dbraw/zinc/12/14/01/685121401.db2.gz GPUBYUWYPQZSOD-ZIAGYGMSSA-N 1 2 322.430 2.412 10 0 DEAELO Cc1ncsc1CC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000245978551 685121405 /nfs/dbraw/zinc/12/14/05/685121405.db2.gz GPUBYUWYPQZSOD-ZIAGYGMSSA-N 1 2 322.430 2.412 10 0 DEAELO C[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC(C)(C)O1 ZINC000724109908 777242680 /nfs/dbraw/zinc/24/26/80/777242680.db2.gz BKDDAOQOVWVQQL-WCBMZHEXSA-N 1 2 305.287 2.434 10 0 DEAELO C[C@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC(C)(C)O1 ZINC000724109908 777242685 /nfs/dbraw/zinc/24/26/85/777242685.db2.gz BKDDAOQOVWVQQL-WCBMZHEXSA-N 1 2 305.287 2.434 10 0 DEAELO [NH3+][C@@H](CC(=O)NCc1ccc(Br)cc1)C(F)F ZINC000724765880 777471729 /nfs/dbraw/zinc/47/17/29/777471729.db2.gz HDQPAGWYJJIIRF-VIFPVBQESA-N 1 2 307.138 2.048 10 0 DEAELO CC(C)n1cc(C[NH2+]Cc2cn(C)nc2Br)cn1 ZINC000720648433 1085812099 /nfs/dbraw/zinc/81/20/99/1085812099.db2.gz LZXXNTBYUGCQKO-UHFFFAOYSA-N 1 2 312.215 2.250 10 0 DEAELO O=C(Cn1cc[nH+]c1)N1Cc2ccc(Br)cc2C1 ZINC000707983933 1086675424 /nfs/dbraw/zinc/67/54/24/1086675424.db2.gz IIAZJIVOMPNYNH-UHFFFAOYSA-N 1 2 306.163 2.188 10 0 DEAELO c1cc(C[NH+]2CCN(CCOC3CCOCC3)CC2)cs1 ZINC000625043375 365625440 /nfs/dbraw/zinc/62/54/40/365625440.db2.gz KVCAUODTGYQDKV-UHFFFAOYSA-N 1 2 310.463 2.061 10 0 DEAELO Cc1cnn(C[C@@H]2C[N@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000152058634 282133599 /nfs/dbraw/zinc/13/35/99/282133599.db2.gz XKEIBUVDYWNLGO-HNNXBMFYSA-N 1 2 321.371 2.413 10 0 DEAELO Cc1cnn(C[C@@H]2C[N@@H+](CCc3ccc(F)c(F)c3)CCO2)c1 ZINC000152058634 282133603 /nfs/dbraw/zinc/13/36/03/282133603.db2.gz XKEIBUVDYWNLGO-HNNXBMFYSA-N 1 2 321.371 2.413 10 0 DEAELO O=C(c1scnc1C1CC1)N1CC[NH2+][C@H](c2cccnc2)C1 ZINC000328645048 231282672 /nfs/dbraw/zinc/28/26/72/231282672.db2.gz GFMLNVHDOJMHIV-ZDUSSCGKSA-N 1 2 314.414 2.202 10 0 DEAELO COc1ccc(NCC[NH+]2CCOCC2)cc1Br ZINC000088320126 185245411 /nfs/dbraw/zinc/24/54/11/185245411.db2.gz UDLSQAHFPLBVPU-UHFFFAOYSA-N 1 2 315.211 2.202 10 0 DEAELO CC[C@H](NC(=O)c1ccc(-c2ccccn2)[nH]c1=O)c1[nH]cc[nH+]1 ZINC000442815332 529563491 /nfs/dbraw/zinc/56/34/91/529563491.db2.gz WFDFSVQWMBCZDX-LBPRGKRZSA-N 1 2 323.356 2.453 10 0 DEAELO COc1cccc2cc([C@H](C)[NH2+][C@@H]3C=CS(=O)(=O)C3)oc21 ZINC000088854678 185267319 /nfs/dbraw/zinc/26/73/19/185267319.db2.gz JPZZZHYURPRIKR-CMPLNLGQSA-N 1 2 307.371 2.403 10 0 DEAELO Cc1ccccc1S(=O)(=O)N[C@@H]1CCC[C@H]1n1cc[nH+]c1 ZINC000088717672 185263188 /nfs/dbraw/zinc/26/31/88/185263188.db2.gz TVPMQRBBFRPBHN-ZIAGYGMSSA-N 1 2 305.403 2.264 10 0 DEAELO O=C(Cn1cccn1)Nc1cccc(-c2c[nH+]c3n2CCC3)c1 ZINC000090654920 185308229 /nfs/dbraw/zinc/30/82/29/185308229.db2.gz WHWURZWBGVVBCI-UHFFFAOYSA-N 1 2 307.357 2.332 10 0 DEAELO CCOC(=O)[C@@](CO[C@H](C)C(F)(F)F)([NH2+]C1CC1)C1CC1 ZINC000090674115 185309007 /nfs/dbraw/zinc/30/90/07/185309007.db2.gz UWXNKGHJDGXGMM-RNCFNFMXSA-N 1 2 309.328 2.418 10 0 DEAELO CC1(C)CC[C@@H](CNC(=O)NCCc2cn3ccccc3[nH+]2)O1 ZINC000186122343 282268755 /nfs/dbraw/zinc/26/87/55/282268755.db2.gz ZASUYPNDROITFW-AWEZNQCLSA-N 1 2 316.405 2.134 10 0 DEAELO CCc1nc(C(C)(C)[NH2+]C[C@H](O)COc2ccccc2C)no1 ZINC000441242347 529714283 /nfs/dbraw/zinc/71/42/83/529714283.db2.gz GABHQLQIHCCMIV-ZDUSSCGKSA-N 1 2 319.405 2.205 10 0 DEAELO NC(=O)c1coc(C[NH2+]Cc2csc(-c3ccccn3)n2)c1 ZINC000189424908 282309852 /nfs/dbraw/zinc/30/98/52/282309852.db2.gz DUWHRIFUVANMER-UHFFFAOYSA-N 1 2 314.370 2.187 10 0 DEAELO CCc1nc(C2([NH2+]C[C@@H](O)CC(F)(F)F)CCCC2)no1 ZINC000189474090 282310793 /nfs/dbraw/zinc/31/07/93/282310793.db2.gz FCQABFWFUDNHBO-VIFPVBQESA-N 1 2 307.316 2.304 10 0 DEAELO CC(=O)c1ccccc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091891 362281413 /nfs/dbraw/zinc/28/14/13/362281413.db2.gz BWFJVFZPTSYJSY-JKSUJKDBSA-N 1 2 304.365 2.148 10 0 DEAELO CCOC[C@H]1CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000113939371 539441458 /nfs/dbraw/zinc/44/14/58/539441458.db2.gz OUULIKIECZBUPU-ZDUSSCGKSA-N 1 2 309.410 2.212 10 0 DEAELO CCOC[C@H]1CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000113939371 539441462 /nfs/dbraw/zinc/44/14/62/539441462.db2.gz OUULIKIECZBUPU-ZDUSSCGKSA-N 1 2 309.410 2.212 10 0 DEAELO CNc1c(Cl)ncnc1N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000276037177 290837808 /nfs/dbraw/zinc/83/78/08/290837808.db2.gz OVNOCWATFCNCPV-WDEREUQCSA-N 1 2 306.801 2.456 10 0 DEAELO CC(C)(C)OC(=O)Nc1ccc([C@@H]2COCC[N@@H+]2CCO)cc1 ZINC000616640636 362903696 /nfs/dbraw/zinc/90/36/96/362903696.db2.gz KJUZAFPCEULVOX-HNNXBMFYSA-N 1 2 322.405 2.399 10 0 DEAELO CC(C)(C)OC(=O)Nc1ccc([C@@H]2COCC[N@H+]2CCO)cc1 ZINC000616640636 362903704 /nfs/dbraw/zinc/90/37/04/362903704.db2.gz KJUZAFPCEULVOX-HNNXBMFYSA-N 1 2 322.405 2.399 10 0 DEAELO CC(C)(C)OC(=O)Nc1ccc([C@@H]2C[N@H+](CCO)CCO2)cc1 ZINC000616648154 362904516 /nfs/dbraw/zinc/90/45/16/362904516.db2.gz STULSRHLNHWKRH-HNNXBMFYSA-N 1 2 322.405 2.399 10 0 DEAELO CC(C)(C)OC(=O)Nc1ccc([C@@H]2C[N@@H+](CCO)CCO2)cc1 ZINC000616648154 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[NH3+][C@]1(c2nc3c(s2)CCC3)CCS(=O)(=O)c2ccccc21 ZINC000147741931 186041554 /nfs/dbraw/zinc/04/15/54/186041554.db2.gz WAPAOVFDJSUVBJ-OAHLLOKOSA-N 1 2 320.439 2.012 10 0 DEAELO CC[N@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000263519516 539789853 /nfs/dbraw/zinc/78/98/53/539789853.db2.gz QIAFISKSLLQAEO-UHFFFAOYSA-N 1 2 312.797 2.073 10 0 DEAELO CC[N@@H+](CC(=O)[O-])C1CC([NH2+]Cc2cccc(O)c2Cl)C1 ZINC000263519516 539789857 /nfs/dbraw/zinc/78/98/57/539789857.db2.gz QIAFISKSLLQAEO-UHFFFAOYSA-N 1 2 312.797 2.073 10 0 DEAELO CCC[C@H]1[NH2+][C@H](C2CCCC2)N(C2CCS(=O)CC2)C1=O ZINC000159626562 186131481 /nfs/dbraw/zinc/13/14/81/186131481.db2.gz BECVURZEDFKJBP-QOLBRVKBSA-N 1 2 312.479 2.014 10 0 DEAELO CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCCn3cc[nH+]c32)C[C@H]1C ZINC000333252513 539953509 /nfs/dbraw/zinc/95/35/09/539953509.db2.gz SFRQPHSHYPMHEI-QLFBSQMISA-N 1 2 320.437 2.217 10 0 DEAELO Cc1cc(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)ccc1OC(C)C ZINC000173720187 198243967 /nfs/dbraw/zinc/24/39/67/198243967.db2.gz 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CCOc1ccnc(N2CC[NH+]([C@H](C)c3ccccn3)CC2)n1 ZINC000177135594 402373419 /nfs/dbraw/zinc/37/34/19/402373419.db2.gz LJHLJNKCAMBJPC-CQSZACIVSA-N 1 2 313.405 2.154 10 0 DEAELO CC(C)c1ccc(NC(=O)C[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185133929 402327396 /nfs/dbraw/zinc/32/73/96/402327396.db2.gz XGSZKEOWXYXEIJ-SFHVURJKSA-N 1 2 318.417 2.240 10 0 DEAELO CC(C)c1ccc(NC(=O)C[N@H+]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000185133929 402327397 /nfs/dbraw/zinc/32/73/97/402327397.db2.gz XGSZKEOWXYXEIJ-SFHVURJKSA-N 1 2 318.417 2.240 10 0 DEAELO CC(C)C[C@H](C)C(=O)NCc1cc[nH+]c(N2CCOCC2)c1 ZINC000185192899 402333083 /nfs/dbraw/zinc/33/30/83/402333083.db2.gz DICIZTIYYCSNTF-AWEZNQCLSA-N 1 2 305.422 2.217 10 0 DEAELO C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177367818 402395041 /nfs/dbraw/zinc/39/50/41/402395041.db2.gz ZFEQCUSFKBRHKC-CYBMUJFWSA-N 1 2 316.405 2.429 10 0 DEAELO C[C@H](Nc1[nH+]cnc2c1cnn2C)c1cn(-c2ccccc2)nn1 ZINC000177457402 402404391 /nfs/dbraw/zinc/40/43/91/402404391.db2.gz 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/nfs/dbraw/zinc/51/18/22/402511822.db2.gz RIFNBKXZAXQUFT-WCQYABFASA-N 1 2 313.361 2.049 10 0 DEAELO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CC(=O)NC(C)(C)C ZINC000245399173 402456028 /nfs/dbraw/zinc/45/60/28/402456028.db2.gz VWKUJYIQYPPPHW-MJBXVCDLSA-N 1 2 311.470 2.011 10 0 DEAELO C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+](C)CC(=O)NC(C)(C)C ZINC000245399173 402456031 /nfs/dbraw/zinc/45/60/31/402456031.db2.gz VWKUJYIQYPPPHW-MJBXVCDLSA-N 1 2 311.470 2.011 10 0 DEAELO COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](C)Cn2cc[nH+]c2)c1 ZINC000245422525 402458638 /nfs/dbraw/zinc/45/86/38/402458638.db2.gz PTWKECKKZXJDDK-COXVUDFISA-N 1 2 313.401 2.448 10 0 DEAELO Nc1nc(N)c2cc([S@@](=O)c3ccc(F)cc3)ccc2[nH+]1 ZINC000169315044 402501614 /nfs/dbraw/zinc/50/16/14/402501614.db2.gz XSFRKUDPMLMGFO-NRFANRHFSA-N 1 2 302.334 2.100 10 0 DEAELO COC[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1ccc(F)c(F)c1 ZINC000187716146 402509493 /nfs/dbraw/zinc/50/94/93/402509493.db2.gz DELAJTHABKKFGG-AWEZNQCLSA-N 1 2 310.300 2.134 10 0 DEAELO CC[C@@H]1CCCCCN1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000246800009 402545432 /nfs/dbraw/zinc/54/54/32/402545432.db2.gz DMWAHTSEUHPHQH-HRCADAONSA-N 1 2 311.470 2.460 10 0 DEAELO Cc1cccc(C)c1OCC[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246999667 402553096 /nfs/dbraw/zinc/55/30/96/402553096.db2.gz BLZVRLCKASVIPK-SJORKVTESA-N 1 2 306.450 2.069 10 0 DEAELO Cc1cccc(C)c1OCC[N@@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000246999667 402553097 /nfs/dbraw/zinc/55/30/97/402553097.db2.gz BLZVRLCKASVIPK-SJORKVTESA-N 1 2 306.450 2.069 10 0 DEAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cnc4ccccn34)[C@H]2C1 ZINC000247130051 402557895 /nfs/dbraw/zinc/55/78/95/402557895.db2.gz WYLNHVIFYAYXIR-OWCLPIDISA-N 1 2 301.390 2.103 10 0 DEAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cnc4ccccn34)[C@H]2C1 ZINC000247130051 402557896 /nfs/dbraw/zinc/55/78/96/402557896.db2.gz WYLNHVIFYAYXIR-OWCLPIDISA-N 1 2 301.390 2.103 10 0 DEAELO c1ncn([C@H]2CCC[N@@H+](Cc3nc(C4CCCC4)no3)C2)n1 ZINC000178674405 402524909 /nfs/dbraw/zinc/52/49/09/402524909.db2.gz HYJGXYCRCKDKMT-ZDUSSCGKSA-N 1 2 302.382 2.156 10 0 DEAELO c1ncn([C@H]2CCC[N@H+](Cc3nc(C4CCCC4)no3)C2)n1 ZINC000178674405 402524912 /nfs/dbraw/zinc/52/49/12/402524912.db2.gz HYJGXYCRCKDKMT-ZDUSSCGKSA-N 1 2 302.382 2.156 10 0 DEAELO CON(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000190142831 402578925 /nfs/dbraw/zinc/57/89/25/402578925.db2.gz HFMQCRZZCRLWDF-STQMWFEESA-N 1 2 315.776 2.427 10 0 DEAELO CON(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000190142831 402578929 /nfs/dbraw/zinc/57/89/29/402578929.db2.gz HFMQCRZZCRLWDF-STQMWFEESA-N 1 2 315.776 2.427 10 0 DEAELO O=C(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000171401552 402584665 /nfs/dbraw/zinc/58/46/65/402584665.db2.gz SZPUFOGYPZLHDX-CQSZACIVSA-N 1 2 306.793 2.219 10 0 DEAELO O=C(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000171401552 402584668 /nfs/dbraw/zinc/58/46/68/402584668.db2.gz SZPUFOGYPZLHDX-CQSZACIVSA-N 1 2 306.793 2.219 10 0 DEAELO CCCC[C@H]([NH2+][C@H]1CCc2nnc(C(C)C)n2C1)C(=O)OC ZINC000179331664 402585095 /nfs/dbraw/zinc/58/50/95/402585095.db2.gz RHVCFRWHXRFOQP-STQMWFEESA-N 1 2 308.426 2.038 10 0 DEAELO CCC(C)(C)C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171558899 402594750 /nfs/dbraw/zinc/59/47/50/402594750.db2.gz QTKQBJFPIHPVQH-INIZCTEOSA-N 1 2 304.434 2.300 10 0 DEAELO CC[C@@]1(C)C[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000248881601 402612888 /nfs/dbraw/zinc/61/28/88/402612888.db2.gz DFNZVWNMSJXONX-OCCSQVGLSA-N 1 2 322.371 2.288 10 0 DEAELO CC[C@@]1(C)C[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000248881601 402612889 /nfs/dbraw/zinc/61/28/89/402612889.db2.gz DFNZVWNMSJXONX-OCCSQVGLSA-N 1 2 322.371 2.288 10 0 DEAELO COC[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000249116545 402621286 /nfs/dbraw/zinc/62/12/86/402621286.db2.gz BHVIMIZSMWEIEZ-BBRMVZONSA-N 1 2 301.390 2.312 10 0 DEAELO COC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000249116545 402621288 /nfs/dbraw/zinc/62/12/88/402621288.db2.gz BHVIMIZSMWEIEZ-BBRMVZONSA-N 1 2 301.390 2.312 10 0 DEAELO C/C(=C\C(=O)NC[C@@H](C)[NH+]1CCOCC1)c1cccc(F)c1 ZINC000171957346 402635609 /nfs/dbraw/zinc/63/56/09/402635609.db2.gz OUFLEMQTHWGGJB-JWAFFJSPSA-N 1 2 306.381 2.066 10 0 DEAELO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)[nH]1 ZINC000181680785 402654237 /nfs/dbraw/zinc/65/42/37/402654237.db2.gz GNJFQHXQVHWEHT-GFCCVEGCSA-N 1 2 300.362 2.433 10 0 DEAELO CCc1nnc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)[nH]1 ZINC000181680785 402654239 /nfs/dbraw/zinc/65/42/39/402654239.db2.gz GNJFQHXQVHWEHT-GFCCVEGCSA-N 1 2 300.362 2.433 10 0 DEAELO CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000173629384 402705420 /nfs/dbraw/zinc/70/54/20/402705420.db2.gz GHTJGUUQKMUQLX-ZIAGYGMSSA-N 1 2 321.469 2.299 10 0 DEAELO Cc1nnc([C@H]2C[N@H+](CCOc3c(C)cccc3C)CCO2)[nH]1 ZINC000173759498 402711223 /nfs/dbraw/zinc/71/12/23/402711223.db2.gz MXVNWYWPUYBJQD-OAHLLOKOSA-N 1 2 316.405 2.182 10 0 DEAELO Cc1nnc([C@H]2C[N@@H+](CCOc3c(C)cccc3C)CCO2)[nH]1 ZINC000173759498 402711227 /nfs/dbraw/zinc/71/12/27/402711227.db2.gz MXVNWYWPUYBJQD-OAHLLOKOSA-N 1 2 316.405 2.182 10 0 DEAELO CC(C)c1csc(NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)n1 ZINC000173783269 402712410 /nfs/dbraw/zinc/71/24/10/402712410.db2.gz ZEJBFIAGQDPGOJ-LBPRGKRZSA-N 1 2 324.450 2.205 10 0 DEAELO C[C@H](C[NH+]1CCOCC1)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000252917510 402661242 /nfs/dbraw/zinc/66/12/42/402661242.db2.gz MTGMAHJFTBHOPI-RKVPGOIHSA-N 1 2 322.424 2.308 10 0 DEAELO CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172744535 402672963 /nfs/dbraw/zinc/67/29/63/402672963.db2.gz YABHNLZFCZZQTK-SJORKVTESA-N 1 2 302.418 2.113 10 0 DEAELO O=C(c1ccc(Cl)cc1F)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172757694 402674457 /nfs/dbraw/zinc/67/44/57/402674457.db2.gz JQEOVLYKQFUMLD-GFCCVEGCSA-N 1 2 312.772 2.026 10 0 DEAELO COCc1noc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)n1 ZINC000182309134 402680057 /nfs/dbraw/zinc/68/00/57/402680057.db2.gz IEEMWGIBVXBZHH-UHFFFAOYSA-N 1 2 321.352 2.399 10 0 DEAELO C[N@@H+](Cc1cocn1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000191941698 402700245 /nfs/dbraw/zinc/70/02/45/402700245.db2.gz FOYMGCVFHDKILJ-AWEZNQCLSA-N 1 2 307.419 2.241 10 0 DEAELO C[N@H+](Cc1cocn1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000191941698 402700248 /nfs/dbraw/zinc/70/02/48/402700248.db2.gz FOYMGCVFHDKILJ-AWEZNQCLSA-N 1 2 307.419 2.241 10 0 DEAELO CC(C)COC[C@H](O)C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000174246380 402733803 /nfs/dbraw/zinc/73/38/03/402733803.db2.gz LVAQQHMXUGYTQE-CQSZACIVSA-N 1 2 323.437 2.339 10 0 DEAELO O=C(NCC1(c2ccccc2Cl)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263306866 402756860 /nfs/dbraw/zinc/75/68/60/402756860.db2.gz XZVBLMDOXMQCQM-LBPRGKRZSA-N 1 2 314.763 2.485 10 0 DEAELO C[C@H]1CO[C@H](c2ccccc2)CN1c1[nH+]cnc2c1cnn2C ZINC000174923188 402763834 /nfs/dbraw/zinc/76/38/34/402763834.db2.gz KQNFEKMNROWSEA-WFASDCNBSA-N 1 2 309.373 2.330 10 0 DEAELO CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000183488595 402771447 /nfs/dbraw/zinc/77/14/47/402771447.db2.gz CFOBFLDKHUIHKG-NSHDSACASA-N 1 2 300.349 2.377 10 0 DEAELO O=C(c1cc(F)c(F)c(O)c1F)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000183502880 402772383 /nfs/dbraw/zinc/77/23/83/402772383.db2.gz MDDKSSWWTBKBQJ-VIFPVBQESA-N 1 2 314.307 2.120 10 0 DEAELO O=C(c1cc(F)c(F)c(O)c1F)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000183502880 402772385 /nfs/dbraw/zinc/77/23/85/402772385.db2.gz MDDKSSWWTBKBQJ-VIFPVBQESA-N 1 2 314.307 2.120 10 0 DEAELO C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183689886 402789016 /nfs/dbraw/zinc/78/90/16/402789016.db2.gz ULSJRKIKOMCBIW-PMPSAXMXSA-N 1 2 309.498 2.201 10 0 DEAELO c1cn(Cc2ccccc2)c(C[NH+]2CCC(n3cncn3)CC2)n1 ZINC000195315431 402841917 /nfs/dbraw/zinc/84/19/17/402841917.db2.gz GJBZJBRSOAUARX-UHFFFAOYSA-N 1 2 322.416 2.360 10 0 DEAELO Cc1nnc([C@@H]2C[N@H+](CCCc3ccccc3C)CCO2)[nH]1 ZINC000175910521 402841931 /nfs/dbraw/zinc/84/19/31/402841931.db2.gz PINBCYBLIXHNAT-INIZCTEOSA-N 1 2 300.406 2.428 10 0 DEAELO Cc1nnc([C@@H]2C[N@@H+](CCCc3ccccc3C)CCO2)[nH]1 ZINC000175910521 402841932 /nfs/dbraw/zinc/84/19/32/402841932.db2.gz PINBCYBLIXHNAT-INIZCTEOSA-N 1 2 300.406 2.428 10 0 DEAELO Cc1nc([C@@H]2C[N@H+](CCCc3ccccc3C)CCO2)n[nH]1 ZINC000175910521 402841933 /nfs/dbraw/zinc/84/19/33/402841933.db2.gz PINBCYBLIXHNAT-INIZCTEOSA-N 1 2 300.406 2.428 10 0 DEAELO Cc1nc([C@@H]2C[N@@H+](CCCc3ccccc3C)CCO2)n[nH]1 ZINC000175910521 402841934 /nfs/dbraw/zinc/84/19/34/402841934.db2.gz PINBCYBLIXHNAT-INIZCTEOSA-N 1 2 300.406 2.428 10 0 DEAELO Cc1noc([C@@H]2CCC[N@H+](Cc3cnn(-c4ccccc4)n3)C2)n1 ZINC000194327324 402792170 /nfs/dbraw/zinc/79/21/70/402792170.db2.gz ZAGCQPULFIAMDH-CQSZACIVSA-N 1 2 324.388 2.338 10 0 DEAELO Cc1noc([C@@H]2CCC[N@@H+](Cc3cnn(-c4ccccc4)n3)C2)n1 ZINC000194327324 402792173 /nfs/dbraw/zinc/79/21/73/402792173.db2.gz ZAGCQPULFIAMDH-CQSZACIVSA-N 1 2 324.388 2.338 10 0 DEAELO Cc1cc2occ(CC(=O)NC[C@@H]3C[N@H+](C)CCO3)c2cc1C ZINC000194619553 402805544 /nfs/dbraw/zinc/80/55/44/402805544.db2.gz 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195208960 /nfs/dbraw/zinc/20/89/60/195208960.db2.gz PQADLHSYYKZOGW-UHFFFAOYSA-N 1 2 310.401 2.151 10 0 DEAELO C[C@@H]1CCC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC1 ZINC000249089378 296438141 /nfs/dbraw/zinc/43/81/41/296438141.db2.gz NDEZARQDFVXJOZ-BZUAXINKSA-N 1 2 309.454 2.071 10 0 DEAELO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3csnn3)C2)n1 ZINC000122006424 195388990 /nfs/dbraw/zinc/38/89/90/195388990.db2.gz WGPFWALIPIVDOI-GFCCVEGCSA-N 1 2 317.418 2.092 10 0 DEAELO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3csnn3)C2)n1 ZINC000122006424 195388991 /nfs/dbraw/zinc/38/89/91/195388991.db2.gz WGPFWALIPIVDOI-GFCCVEGCSA-N 1 2 317.418 2.092 10 0 DEAELO COc1cc(Br)c(C[N@H+](C)CCCO)c(OC)c1 ZINC000442965178 533485911 /nfs/dbraw/zinc/48/59/11/533485911.db2.gz JZAXRWOGDMTLFY-UHFFFAOYSA-N 1 2 318.211 2.281 10 0 DEAELO COc1cc(Br)c(C[N@@H+](C)CCCO)c(OC)c1 ZINC000442965178 533485920 /nfs/dbraw/zinc/48/59/20/533485920.db2.gz JZAXRWOGDMTLFY-UHFFFAOYSA-N 1 2 318.211 2.281 10 0 DEAELO 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145024626 /nfs/dbraw/zinc/02/46/26/145024626.db2.gz WDRSBPCZGKHOTA-LBPRGKRZSA-N 1 2 320.343 2.016 10 0 DEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](CCOc2ccc(F)cc2)C1 ZINC000189325175 145025469 /nfs/dbraw/zinc/02/54/69/145025469.db2.gz PZSVWJARQJXEAZ-LSDHHAIUSA-N 1 2 321.352 2.358 10 0 DEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000189325175 145025471 /nfs/dbraw/zinc/02/54/71/145025471.db2.gz PZSVWJARQJXEAZ-LSDHHAIUSA-N 1 2 321.352 2.358 10 0 DEAELO CC(C)n1cc[nH+]c1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189669728 145032039 /nfs/dbraw/zinc/03/20/39/145032039.db2.gz LSJFLTPQDUCHQY-UHFFFAOYSA-N 1 2 314.437 2.387 10 0 DEAELO CN(C)c1noc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000192692681 145077069 /nfs/dbraw/zinc/07/70/69/145077069.db2.gz FMQKOBFSSQGORV-UHFFFAOYSA-N 1 2 300.362 2.131 10 0 DEAELO CN(C)c1noc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)n1 ZINC000192692681 145077072 /nfs/dbraw/zinc/07/70/72/145077072.db2.gz FMQKOBFSSQGORV-UHFFFAOYSA-N 1 2 300.362 2.131 10 0 DEAELO 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COc1ccc(CNC(=O)C[N@H+]2CCOC[C@H]2CC(C)C)cc1 ZINC000113942409 401788173 /nfs/dbraw/zinc/78/81/73/401788173.db2.gz NOCDXVKAPJYYHH-MRXNPFEDSA-N 1 2 320.433 2.058 10 0 DEAELO CN(C)c1[nH+]cccc1CNC(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000078294299 401846043 /nfs/dbraw/zinc/84/60/43/401846043.db2.gz KAMBTXZAUBSTMX-GJZGRUSLSA-N 1 2 302.422 2.479 10 0 DEAELO C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000116546399 401854874 /nfs/dbraw/zinc/85/48/74/401854874.db2.gz NUTGCTYRVAIQKT-CABCVRRESA-N 1 2 311.470 2.175 10 0 DEAELO C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(C)(C)C)CC2)C1 ZINC000116546399 401854876 /nfs/dbraw/zinc/85/48/76/401854876.db2.gz NUTGCTYRVAIQKT-CABCVRRESA-N 1 2 311.470 2.175 10 0 DEAELO CCc1sc(C(=O)NC[C@H]2C[N@@H+](C3CC3)CCO2)cc1C ZINC000114857042 401812820 /nfs/dbraw/zinc/81/28/20/401812820.db2.gz SLPWLNZDLLVRHW-ZDUSSCGKSA-N 1 2 308.447 2.212 10 0 DEAELO CCc1sc(C(=O)NC[C@H]2C[N@H+](C3CC3)CCO2)cc1C ZINC000114857042 401812822 /nfs/dbraw/zinc/81/28/22/401812822.db2.gz 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401985560 /nfs/dbraw/zinc/98/55/60/401985560.db2.gz WRLRFNURZRXRBN-MRXNPFEDSA-N 1 2 318.417 2.063 10 0 DEAELO Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)C[NH+]1CCOCC1 ZINC000047912751 401990736 /nfs/dbraw/zinc/99/07/36/401990736.db2.gz OBHWDOAQJRBVMU-CABCVRRESA-N 1 2 305.422 2.076 10 0 DEAELO CC(C)(C)OC(=O)N1CCN(c2ccn3cc[nH+]c3c2)CC1 ZINC000089201450 401938865 /nfs/dbraw/zinc/93/88/65/401938865.db2.gz AOBMXQBBRJTBGF-UHFFFAOYSA-N 1 2 302.378 2.391 10 0 DEAELO Cc1csc(NC(=O)C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)n1 ZINC000135564099 401945436 /nfs/dbraw/zinc/94/54/36/401945436.db2.gz RTQYHDDTGNKKBB-GFCCVEGCSA-N 1 2 319.434 2.133 10 0 DEAELO Cc1csc(NC(=O)C[N@H+](C)[C@@H]2CCCc3c2cnn3C)n1 ZINC000135564099 401945437 /nfs/dbraw/zinc/94/54/37/401945437.db2.gz RTQYHDDTGNKKBB-GFCCVEGCSA-N 1 2 319.434 2.133 10 0 DEAELO COC(=O)C[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000151026219 402011639 /nfs/dbraw/zinc/01/16/39/402011639.db2.gz NQSCZOQZMRXCHG-STQMWFEESA-N 1 2 315.373 2.249 10 0 DEAELO COC[C@@H]1C[N@H+](Cc2cccn2Cc2cccs2)CCO1 ZINC000093528286 402016722 /nfs/dbraw/zinc/01/67/22/402016722.db2.gz GFGFKDVEQNUNSK-HNNXBMFYSA-N 1 2 306.431 2.445 10 0 DEAELO COC[C@@H]1C[N@@H+](Cc2cccn2Cc2cccs2)CCO1 ZINC000093528286 402016723 /nfs/dbraw/zinc/01/67/23/402016723.db2.gz GFGFKDVEQNUNSK-HNNXBMFYSA-N 1 2 306.431 2.445 10 0 DEAELO C[N@H+](CC(=O)c1ccco1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095074779 402023998 /nfs/dbraw/zinc/02/39/98/402023998.db2.gz NORBMUMEVDGEDB-GFCCVEGCSA-N 1 2 308.378 2.404 10 0 DEAELO C[N@@H+](CC(=O)c1ccco1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000095074779 402024000 /nfs/dbraw/zinc/02/40/00/402024000.db2.gz NORBMUMEVDGEDB-GFCCVEGCSA-N 1 2 308.378 2.404 10 0 DEAELO CN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1[nH+]cccc1O ZINC000095075439 402024173 /nfs/dbraw/zinc/02/41/73/402024173.db2.gz PTGRZIYAOKQVEG-GFCCVEGCSA-N 1 2 307.394 2.480 10 0 DEAELO CC(C)(C)OC(=O)NC[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000095931321 402034673 /nfs/dbraw/zinc/03/46/73/402034673.db2.gz GFPYQPFMTHKBRQ-OAHLLOKOSA-N 1 2 306.406 2.412 10 0 DEAELO CC(C)(C)OC(=O)NC[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC000095931321 402034675 /nfs/dbraw/zinc/03/46/75/402034675.db2.gz GFPYQPFMTHKBRQ-OAHLLOKOSA-N 1 2 306.406 2.412 10 0 DEAELO O=C(C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)NCc1ccccc1F ZINC000051995471 402037893 /nfs/dbraw/zinc/03/78/93/402037893.db2.gz GJAIJWFCBBJGST-HOTGVXAUSA-N 1 2 306.381 2.085 10 0 DEAELO O=C(C[N@H+]1CCO[C@H]2CCCC[C@@H]21)NCc1ccccc1F ZINC000051995471 402037897 /nfs/dbraw/zinc/03/78/97/402037897.db2.gz GJAIJWFCBBJGST-HOTGVXAUSA-N 1 2 306.381 2.085 10 0 DEAELO O=C(NCCn1cc[nH+]c1)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000056797666 402091178 /nfs/dbraw/zinc/09/11/78/402091178.db2.gz MGRBBKZCILQVNN-MRXNPFEDSA-N 1 2 316.380 2.439 10 0 DEAELO Cc1cc(C)cc(CCC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000152964588 402119185 /nfs/dbraw/zinc/11/91/85/402119185.db2.gz TUMYJKGPIRMXBZ-SFHVURJKSA-N 1 2 316.445 2.169 10 0 DEAELO CCNc1cc(N2CCC[C@@H](CCC(=O)NC(C)C)C2)nc[nH+]1 ZINC000065244953 402123443 /nfs/dbraw/zinc/12/34/43/402123443.db2.gz ZSWZSQQEROWALQ-AWEZNQCLSA-N 1 2 319.453 2.430 10 0 DEAELO CCNc1cc(N2CCC[C@@H](CCC(=O)NC(C)C)C2)[nH+]cn1 ZINC000065244953 402123445 /nfs/dbraw/zinc/12/34/45/402123445.db2.gz ZSWZSQQEROWALQ-AWEZNQCLSA-N 1 2 319.453 2.430 10 0 DEAELO CC[N@H+](CCC(=O)OC)Cc1noc(-c2ccccc2C)n1 ZINC000124803643 402197964 /nfs/dbraw/zinc/19/79/64/402197964.db2.gz DDMWQLPPUCJNDU-UHFFFAOYSA-N 1 2 303.362 2.430 10 0 DEAELO CC[N@@H+](CCC(=O)OC)Cc1noc(-c2ccccc2C)n1 ZINC000124803643 402197965 /nfs/dbraw/zinc/19/79/65/402197965.db2.gz DDMWQLPPUCJNDU-UHFFFAOYSA-N 1 2 303.362 2.430 10 0 DEAELO CC(C)Cc1ccc([C@H](C)[NH2+]Cc2nc(N)nc(N)n2)cc1 ZINC000102685557 402170169 /nfs/dbraw/zinc/17/01/69/402170169.db2.gz ZANNKMFSADIMCJ-NSHDSACASA-N 1 2 300.410 2.085 10 0 DEAELO CC(C)C[C@H]1CCCN(C(=O)NC[C@H](C)[NH+]2CCOCC2)C1 ZINC000153839556 402174138 /nfs/dbraw/zinc/17/41/38/402174138.db2.gz YENWWEUDQYWEJN-JKSUJKDBSA-N 1 2 311.470 2.175 10 0 DEAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000108790588 402261366 /nfs/dbraw/zinc/26/13/66/402261366.db2.gz XAGKPPPWOCAZBX-KRWDZBQOSA-N 1 2 318.417 2.068 10 0 DEAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(OC3CCCC3)c2)C1 ZINC000108790588 402261369 /nfs/dbraw/zinc/26/13/69/402261369.db2.gz XAGKPPPWOCAZBX-KRWDZBQOSA-N 1 2 318.417 2.068 10 0 DEAELO CC(C)(C)c1noc(CN2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000109819317 402276548 /nfs/dbraw/zinc/27/65/48/402276548.db2.gz OQLKFEXFPNLVKD-AWEZNQCLSA-N 1 2 322.453 2.054 10 0 DEAELO CC(C)(C)c1noc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000109819317 402276552 /nfs/dbraw/zinc/27/65/52/402276552.db2.gz OQLKFEXFPNLVKD-AWEZNQCLSA-N 1 2 322.453 2.054 10 0 DEAELO CC(C)(C)c1noc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)n1 ZINC000109819317 402276555 /nfs/dbraw/zinc/27/65/55/402276555.db2.gz OQLKFEXFPNLVKD-AWEZNQCLSA-N 1 2 322.453 2.054 10 0 DEAELO Cc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H](CO)CC(C)C ZINC000184571873 402277480 /nfs/dbraw/zinc/27/74/80/402277480.db2.gz SRCSPSHLCXAQOU-AWEZNQCLSA-N 1 2 303.406 2.210 10 0 DEAELO CCOc1cccnc1C(=O)NCc1cn2cccc(C)c2[nH+]1 ZINC000176336138 402300832 /nfs/dbraw/zinc/30/08/32/402300832.db2.gz NLGJRAWJTOLFOG-UHFFFAOYSA-N 1 2 310.357 2.366 10 0 DEAELO CSCCC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000176494403 402314601 /nfs/dbraw/zinc/31/46/01/402314601.db2.gz VQYOJGUHLCSETB-UHFFFAOYSA-N 1 2 303.431 2.495 10 0 DEAELO CCCC[C@H]([NH2+][C@@H]1C[C@H](OCC)C12CCOCC2)C(=O)OC ZINC000185004069 402316143 /nfs/dbraw/zinc/31/61/43/402316143.db2.gz FTYBXEKOFJYWIC-ZNMIVQPWSA-N 1 2 313.438 2.282 10 0 DEAELO Cc1nn(C)c(C[NH+]2CCC([C@H](C)O)CC2)c1Br ZINC000235549610 402363581 /nfs/dbraw/zinc/36/35/81/402363581.db2.gz LHPKNUWFYJQRBU-JTQLQIEISA-N 1 2 316.243 2.084 10 0 DEAELO Cc1ccc([C@H]2CCCC[N@H+]2Cc2nc(N)nc(N(C)C)n2)o1 ZINC000177128172 402372964 /nfs/dbraw/zinc/37/29/64/402372964.db2.gz SNAIBJXWGTUHSW-GFCCVEGCSA-N 1 2 316.409 2.148 10 0 DEAELO Cc1ccc([C@H]2CCCC[N@@H+]2Cc2nc(N)nc(N(C)C)n2)o1 ZINC000177128172 402372965 /nfs/dbraw/zinc/37/29/65/402372965.db2.gz SNAIBJXWGTUHSW-GFCCVEGCSA-N 1 2 316.409 2.148 10 0 DEAELO Cc1noc([C@H](C)N2CC[NH+]([C@@H](C)c3ccccn3)CC2)n1 ZINC000177134075 402373828 /nfs/dbraw/zinc/37/38/28/402373828.db2.gz JMADGGWAJHVJLP-STQMWFEESA-N 1 2 301.394 2.213 10 0 DEAELO Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000185913184 402388950 /nfs/dbraw/zinc/38/89/50/402388950.db2.gz LNBPWJNSHZGMDN-MRXNPFEDSA-N 1 2 323.824 2.317 10 0 DEAELO Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185913184 402388952 /nfs/dbraw/zinc/38/89/52/402388952.db2.gz LNBPWJNSHZGMDN-MRXNPFEDSA-N 1 2 323.824 2.317 10 0 DEAELO C[C@]1(C(N)=O)CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000185918904 402389003 /nfs/dbraw/zinc/38/90/03/402389003.db2.gz MMJBCVPUIUKAMN-MRXNPFEDSA-N 1 2 318.352 2.106 10 0 DEAELO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000185918904 402389005 /nfs/dbraw/zinc/38/90/05/402389005.db2.gz MMJBCVPUIUKAMN-MRXNPFEDSA-N 1 2 318.352 2.106 10 0 DEAELO CCCc1noc(CS(=O)(=O)Cc2ccc(C)[nH+]c2C)n1 ZINC000185154867 402328674 /nfs/dbraw/zinc/32/86/74/402328674.db2.gz BNYDFRQDWBXASL-UHFFFAOYSA-N 1 2 309.391 2.149 10 0 DEAELO Cc1nn(C)c(C)c1CCNC(=O)Nc1ccc(C)[nH+]c1C ZINC000176704352 402329998 /nfs/dbraw/zinc/32/99/98/402329998.db2.gz IUJAHMMEDLGVAQ-UHFFFAOYSA-N 1 2 301.394 2.413 10 0 DEAELO CC(C)n1ncc2cc(C[N@@H+]3CCO[C@]4(CCOC4)C3)cnc21 ZINC000185197014 402332837 /nfs/dbraw/zinc/33/28/37/402332837.db2.gz WNNMNLMERPVQON-QGZVFWFLSA-N 1 2 316.405 2.004 10 0 DEAELO CC(C)n1ncc2cc(C[N@H+]3CCO[C@]4(CCOC4)C3)cnc21 ZINC000185197014 402332840 /nfs/dbraw/zinc/33/28/40/402332840.db2.gz WNNMNLMERPVQON-QGZVFWFLSA-N 1 2 316.405 2.004 10 0 DEAELO COC(=O)[C@@H]1CCC[C@@H](C(=O)N(C)c2ccc[nH+]c2N(C)C)C1 ZINC000176779979 402336540 /nfs/dbraw/zinc/33/65/40/402336540.db2.gz JDHGVRIBBFZTJV-CHWSQXEVSA-N 1 2 319.405 2.090 10 0 DEAELO Cc1ccc(CS(=O)(=O)CC(=O)N2CCCC[C@H]2C)c(C)[nH+]1 ZINC000185246770 402338016 /nfs/dbraw/zinc/33/80/16/402338016.db2.gz QVYKRIZLHHEIBM-CYBMUJFWSA-N 1 2 324.446 2.014 10 0 DEAELO CCn1cc[nH+]c1CN[C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000177399559 402398339 /nfs/dbraw/zinc/39/83/39/402398339.db2.gz XUQYXDGEZLBIKV-HNNXBMFYSA-N 1 2 306.797 2.047 10 0 DEAELO O=C1C[N@H+](CCCOCC(F)(F)F)CCN1c1cccs1 ZINC000186090752 402400442 /nfs/dbraw/zinc/40/04/42/402400442.db2.gz YGTBEFYJSFXDKZ-UHFFFAOYSA-N 1 2 322.352 2.366 10 0 DEAELO O=C1C[N@@H+](CCCOCC(F)(F)F)CCN1c1cccs1 ZINC000186090752 402400446 /nfs/dbraw/zinc/40/04/46/402400446.db2.gz YGTBEFYJSFXDKZ-UHFFFAOYSA-N 1 2 322.352 2.366 10 0 DEAELO CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000177503768 402410100 /nfs/dbraw/zinc/41/01/00/402410100.db2.gz DLFCGEWLRBKHJF-NSHDSACASA-N 1 2 301.374 2.474 10 0 DEAELO CC(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000177503768 402410102 /nfs/dbraw/zinc/41/01/02/402410102.db2.gz DLFCGEWLRBKHJF-NSHDSACASA-N 1 2 301.374 2.474 10 0 DEAELO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000186392485 402428131 /nfs/dbraw/zinc/42/81/31/402428131.db2.gz WGRXWUDCHURVEC-QGZVFWFLSA-N 1 2 317.341 2.026 10 0 DEAELO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000186392485 402428133 /nfs/dbraw/zinc/42/81/33/402428133.db2.gz WGRXWUDCHURVEC-QGZVFWFLSA-N 1 2 317.341 2.026 10 0 DEAELO O=C([C@@H]1Cc2ccccc2O1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186403324 402428576 /nfs/dbraw/zinc/42/85/76/402428576.db2.gz ZEWZMTKMHQYRHX-KRWDZBQOSA-N 1 2 323.396 2.124 10 0 DEAELO O=C(c1cc(-c2ccncc2)on1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177811635 402438719 /nfs/dbraw/zinc/43/87/19/402438719.db2.gz KHOMJLBOVKOFHD-AWEZNQCLSA-N 1 2 323.356 2.238 10 0 DEAELO C[C@H](CNC(=O)N1CCc2c1cccc2Cl)[NH+]1CCOCC1 ZINC000163281870 402446336 /nfs/dbraw/zinc/44/63/36/402446336.db2.gz LKFGYJMYBRVQGL-GFCCVEGCSA-N 1 2 323.824 2.133 10 0 DEAELO C[N@@H+]1CC[C@@H](NC(=O)C2CC(=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000245554389 402470521 /nfs/dbraw/zinc/47/05/21/402470521.db2.gz SIGCNWGTBHUPHN-HUUCEWRRSA-N 1 2 306.793 2.181 10 0 DEAELO C[N@H+]1CC[C@@H](NC(=O)C2CC(=O)C2)[C@H]1c1ccc(Cl)cc1 ZINC000245554389 402470523 /nfs/dbraw/zinc/47/05/23/402470523.db2.gz SIGCNWGTBHUPHN-HUUCEWRRSA-N 1 2 306.793 2.181 10 0 DEAELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cccc(F)c1F ZINC000170666690 402512838 /nfs/dbraw/zinc/51/28/38/402512838.db2.gz QHXLVXMWTPZQNI-UHFFFAOYSA-N 1 2 314.295 2.476 10 0 DEAELO C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714086 402482801 /nfs/dbraw/zinc/48/28/01/402482801.db2.gz UIXGPIZSHBRBRH-QLFBSQMISA-N 1 2 310.344 2.005 10 0 DEAELO C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)[C@H]1c1ccc(F)c(F)c1 ZINC000245714086 402482805 /nfs/dbraw/zinc/48/28/05/402482805.db2.gz UIXGPIZSHBRBRH-QLFBSQMISA-N 1 2 310.344 2.005 10 0 DEAELO CCCN(CCC)C(=O)C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245716425 402482826 /nfs/dbraw/zinc/48/28/26/402482826.db2.gz GRECNDVSLRGAGC-AWEZNQCLSA-N 1 2 319.440 2.296 10 0 DEAELO CCCN(CCC)C(=O)C[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245716425 402482828 /nfs/dbraw/zinc/48/28/28/402482828.db2.gz GRECNDVSLRGAGC-AWEZNQCLSA-N 1 2 319.440 2.296 10 0 DEAELO CC[C@H]1C[N@@H+]([C@H](C)C(=O)N2CCCCC2)CCN1CC(F)F ZINC000245742102 402484841 /nfs/dbraw/zinc/48/48/41/402484841.db2.gz LYVQGPOJPCHYRX-KGLIPLIRSA-N 1 2 317.424 2.049 10 0 DEAELO CC[C@H]1C[N@H+]([C@H](C)C(=O)N2CCCCC2)CCN1CC(F)F ZINC000245742102 402484843 /nfs/dbraw/zinc/48/48/43/402484843.db2.gz LYVQGPOJPCHYRX-KGLIPLIRSA-N 1 2 317.424 2.049 10 0 DEAELO CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245761013 402486604 /nfs/dbraw/zinc/48/66/04/402486604.db2.gz QAPBBZXCSYVRAO-MJBXVCDLSA-N 1 2 319.440 2.341 10 0 DEAELO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000245761013 402486606 /nfs/dbraw/zinc/48/66/06/402486606.db2.gz QAPBBZXCSYVRAO-MJBXVCDLSA-N 1 2 319.440 2.341 10 0 DEAELO CCC1(CC)C[N@H+](Cc2cnn3ccccc23)CC[S@]1=O ZINC000187553130 402504489 /nfs/dbraw/zinc/50/44/89/402504489.db2.gz HKQYMJDXTUOXCV-OAQYLSRUSA-N 1 2 305.447 2.457 10 0 DEAELO CCC1(CC)C[N@@H+](Cc2cnn3ccccc23)CC[S@]1=O ZINC000187553130 402504493 /nfs/dbraw/zinc/50/44/93/402504493.db2.gz HKQYMJDXTUOXCV-OAQYLSRUSA-N 1 2 305.447 2.457 10 0 DEAELO COc1ccccc1C[NH+]1CCN(C(=O)CCSC)CC1 ZINC000171111253 402558542 /nfs/dbraw/zinc/55/85/42/402558542.db2.gz QYTSTHQHLXDINE-UHFFFAOYSA-N 1 2 308.447 2.093 10 0 DEAELO Cc1cccc(CNC(=O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000247502124 402569548 /nfs/dbraw/zinc/56/95/48/402569548.db2.gz IIYCFXMXTHFYEQ-IAGOWNOFSA-N 1 2 302.418 2.255 10 0 DEAELO Cc1cccc(CNC(=O)C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000247502124 402569550 /nfs/dbraw/zinc/56/95/50/402569550.db2.gz IIYCFXMXTHFYEQ-IAGOWNOFSA-N 1 2 302.418 2.255 10 0 DEAELO O[C@H](C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1)c1ccccc1Cl ZINC000246262295 402521454 /nfs/dbraw/zinc/52/14/54/402521454.db2.gz QXYYMMHRIJPENT-BZUAXINKSA-N 1 2 311.809 2.253 10 0 DEAELO O[C@H](C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1)c1ccccc1Cl ZINC000246262295 402521455 /nfs/dbraw/zinc/52/14/55/402521455.db2.gz QXYYMMHRIJPENT-BZUAXINKSA-N 1 2 311.809 2.253 10 0 DEAELO C[C@H](c1nc(C(C)(C)C)no1)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000246307124 402524326 /nfs/dbraw/zinc/52/43/26/402524326.db2.gz CGGKPQXYHVREMR-MCIONIFRSA-N 1 2 322.453 2.081 10 0 DEAELO C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC3(CCCCC3)CC2)C1 ZINC000189366535 402535465 /nfs/dbraw/zinc/53/54/65/402535465.db2.gz HXZCVGKVTCIYIS-MRXNPFEDSA-N 1 2 323.481 2.463 10 0 DEAELO C[N@H+]1CCO[C@H](CNC(=O)N2CCCC3(CCCCC3)CC2)C1 ZINC000189366535 402535467 /nfs/dbraw/zinc/53/54/67/402535467.db2.gz HXZCVGKVTCIYIS-MRXNPFEDSA-N 1 2 323.481 2.463 10 0 DEAELO CCC(C)(C)NC(=O)CN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178772165 402537748 /nfs/dbraw/zinc/53/77/48/402537748.db2.gz WPKYJFDDMITYJH-UHFFFAOYSA-N 1 2 321.440 2.248 10 0 DEAELO CCOC(=O)C[N@H+](Cc1cnc2nc(C)cc(C)n12)C(C)C ZINC000179424775 402589566 /nfs/dbraw/zinc/58/95/66/402589566.db2.gz PYDSNHXILLCMHE-UHFFFAOYSA-N 1 2 304.394 2.120 10 0 DEAELO CCOC(=O)C[N@@H+](Cc1cnc2nc(C)cc(C)n12)C(C)C ZINC000179424775 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c1cn(-c2ccccc2)c(C[N@H+]2CC[C@H](Nc3ncccn3)C2)n1 ZINC000580565469 405645255 /nfs/dbraw/zinc/64/52/55/405645255.db2.gz OMRIZYKGCHSJQI-HNNXBMFYSA-N 1 2 320.400 2.349 10 0 DEAELO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)[C@@H](C)C1 ZINC000561009062 405884002 /nfs/dbraw/zinc/88/40/02/405884002.db2.gz CEIOLWTYLDMWJR-DYEKYZERSA-N 1 2 314.389 2.214 10 0 DEAELO NC(=O)N[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000450413773 405886062 /nfs/dbraw/zinc/88/60/62/405886062.db2.gz UXXPRLNYPHQJIN-MRVPVSSYSA-N 1 2 308.744 2.274 10 0 DEAELO c1c(C[N@@H+]2CCC[C@H]2c2ccncc2)nnn1C[C@@H]1CCOC1 ZINC000639168176 405941881 /nfs/dbraw/zinc/94/18/81/405941881.db2.gz OPVVPMWZBQPYTM-YOEHRIQHSA-N 1 2 313.405 2.047 10 0 DEAELO c1c(C[N@H+]2CCC[C@H]2c2ccncc2)nnn1C[C@@H]1CCOC1 ZINC000639168176 405941889 /nfs/dbraw/zinc/94/18/89/405941889.db2.gz OPVVPMWZBQPYTM-YOEHRIQHSA-N 1 2 313.405 2.047 10 0 DEAELO c1[nH+]cn2c1CN(Cc1nnn(-c3ccccc3)c1C1CC1)CC2 ZINC000639190525 405958706 /nfs/dbraw/zinc/95/87/06/405958706.db2.gz 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O[C@@H](C[NH+]1CCN(c2cc(F)ccc2F)CC1)C(F)(F)F ZINC000181736275 356094348 /nfs/dbraw/zinc/09/43/48/356094348.db2.gz KDGONSGGGQXYBP-LBPRGKRZSA-N 1 2 310.266 2.010 10 0 DEAELO COCCc1noc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)n1 ZINC000182004016 356104460 /nfs/dbraw/zinc/10/44/60/356104460.db2.gz HCRXLOCNNPTBOY-SNVBAGLBSA-N 1 2 309.341 2.257 10 0 DEAELO CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccccc1F ZINC000080280047 192020064 /nfs/dbraw/zinc/02/00/64/192020064.db2.gz SDHNNCYAADPOOB-UHFFFAOYSA-N 1 2 309.366 2.112 10 0 DEAELO COc1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000183987833 356183405 /nfs/dbraw/zinc/18/34/05/356183405.db2.gz LXOAFPYTSXKUQM-LLVKDONJSA-N 1 2 312.329 2.360 10 0 DEAELO CCn1c2ccc(F)cc2nc1C[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000248447917 356322386 /nfs/dbraw/zinc/32/23/86/356322386.db2.gz DHXAODAAGTXYAE-WSVYEEACSA-N 1 2 311.426 2.394 10 0 DEAELO CCn1c2ccc(F)cc2nc1C[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000248447917 356322388 /nfs/dbraw/zinc/32/23/88/356322388.db2.gz 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CCCN(C[C@H]1CCCCO1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000156380298 283287540 /nfs/dbraw/zinc/28/75/40/283287540.db2.gz JEMDXXQUGVUCKI-LSDHHAIUSA-N 1 2 305.422 2.253 10 0 DEAELO COc1ccc(C(F)(F)C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000179374814 199024909 /nfs/dbraw/zinc/02/49/09/199024909.db2.gz VFVFMMOWXCPUAE-CQSZACIVSA-N 1 2 324.371 2.484 10 0 DEAELO COc1ccc(C(F)(F)C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1 ZINC000179374814 199024910 /nfs/dbraw/zinc/02/49/10/199024910.db2.gz VFVFMMOWXCPUAE-CQSZACIVSA-N 1 2 324.371 2.484 10 0 DEAELO COCc1noc(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)n1 ZINC000180246325 199136510 /nfs/dbraw/zinc/13/65/10/199136510.db2.gz XMDQDDNDQBFGFP-JTQLQIEISA-N 1 2 307.350 2.084 10 0 DEAELO C[N@@H+]1CCO[C@@H](CNCc2c(F)cccc2Br)C1 ZINC000180483046 199165614 /nfs/dbraw/zinc/16/56/14/199165614.db2.gz OPKFLWRUAWEXNL-JTQLQIEISA-N 1 2 317.202 2.008 10 0 DEAELO C[N@H+]1CCO[C@@H](CNCc2c(F)cccc2Br)C1 ZINC000180483046 199165616 /nfs/dbraw/zinc/16/56/16/199165616.db2.gz OPKFLWRUAWEXNL-JTQLQIEISA-N 1 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YBMGKZDBZAWCOK-UHFFFAOYSA-N 1 2 316.405 2.259 10 0 DEAELO COC(=O)c1cc(C[N@@H+]2CCO[C@H](C(F)F)CC2)cs1 ZINC000601971584 360215776 /nfs/dbraw/zinc/21/57/76/360215776.db2.gz CWWUMPSAFUOQER-JTQLQIEISA-N 1 2 305.346 2.391 10 0 DEAELO COC(=O)c1cc(C[N@H+]2CCO[C@H](C(F)F)CC2)cs1 ZINC000601971584 360215778 /nfs/dbraw/zinc/21/57/78/360215778.db2.gz CWWUMPSAFUOQER-JTQLQIEISA-N 1 2 305.346 2.391 10 0 DEAELO Cc1nnc([C@H]2C[N@@H+](Cc3cccc4c3OCO4)C[C@@H](C)O2)o1 ZINC000668649152 540704029 /nfs/dbraw/zinc/70/40/29/540704029.db2.gz SGLLYBJUEBYTIA-QMTHXVAHSA-N 1 2 317.345 2.069 10 0 DEAELO Cc1nnc([C@H]2C[N@H+](Cc3cccc4c3OCO4)C[C@@H](C)O2)o1 ZINC000668649152 540704032 /nfs/dbraw/zinc/70/40/32/540704032.db2.gz SGLLYBJUEBYTIA-QMTHXVAHSA-N 1 2 317.345 2.069 10 0 DEAELO C[C@H]1NC(=O)CC[C@@H]1Nc1cc(N(C)c2ccccc2)nc[nH+]1 ZINC000292684224 223200796 /nfs/dbraw/zinc/20/07/96/223200796.db2.gz BKWICGWBSJPVPM-OCCSQVGLSA-N 1 2 311.389 2.324 10 0 DEAELO CC(C)OCC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608206230 361184306 /nfs/dbraw/zinc/18/43/06/361184306.db2.gz ACCBEOJBQKEGNM-OAHLLOKOSA-N 1 2 301.390 2.245 10 0 DEAELO C[C@H](NC(=O)Nc1ccc2[nH+]ccn2c1)C(=O)OC(C)(C)C ZINC000610326353 361385691 /nfs/dbraw/zinc/38/56/91/361385691.db2.gz XMVMJNOYKQHZIM-JTQLQIEISA-N 1 2 304.350 2.186 10 0 DEAELO CSCCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000610346927 361387384 /nfs/dbraw/zinc/38/73/84/361387384.db2.gz QRVRHVKYSFJOSU-AWEZNQCLSA-N 1 2 318.446 2.366 10 0 DEAELO CCN1C[C@H](C[N@H+](C)[C@H](C(=O)OC)C2CC2)Oc2ccccc21 ZINC000611660056 361654348 /nfs/dbraw/zinc/65/43/48/361654348.db2.gz MTWAISFDNPXVME-YOEHRIQHSA-N 1 2 318.417 2.157 10 0 DEAELO CCN1C[C@H](C[N@@H+](C)[C@H](C(=O)OC)C2CC2)Oc2ccccc21 ZINC000611660056 361654351 /nfs/dbraw/zinc/65/43/51/361654351.db2.gz MTWAISFDNPXVME-YOEHRIQHSA-N 1 2 318.417 2.157 10 0 DEAELO Cc1cccn2cc(C[S@](=O)Cc3ccnc(C)n3)[nH+]c12 ZINC000619468591 363805047 /nfs/dbraw/zinc/80/50/47/363805047.db2.gz QVHBTHVIYXVRHZ-OAQYLSRUSA-N 1 2 300.387 2.190 10 0 DEAELO CO[C@@H](C)CS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000195401498 201386846 /nfs/dbraw/zinc/38/68/46/201386846.db2.gz AZJRNOHMPNCDCA-AWEZNQCLSA-N 1 2 320.414 2.453 10 0 DEAELO Cc1cnc(NC(=O)N(CC2CC2)C[C@H]2C[N@H+](C)CCO2)s1 ZINC000275535399 212399557 /nfs/dbraw/zinc/39/95/57/212399557.db2.gz FARPPYZFHSZDQP-CYBMUJFWSA-N 1 2 324.450 2.026 10 0 DEAELO Cc1cnc(NC(=O)N(CC2CC2)C[C@H]2C[N@@H+](C)CCO2)s1 ZINC000275535399 212399559 /nfs/dbraw/zinc/39/95/59/212399559.db2.gz FARPPYZFHSZDQP-CYBMUJFWSA-N 1 2 324.450 2.026 10 0 DEAELO O=C([C@@H]1OCC[C@@H]1Cn1cc[nH+]c1)N1CC[C@H]1c1ccccc1 ZINC000621576811 364461253 /nfs/dbraw/zinc/46/12/53/364461253.db2.gz BJMPLLHPBHEBRJ-IXDOHACOSA-N 1 2 311.385 2.262 10 0 DEAELO C[N@@H+]1CCO[C@@H](C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000091688257 193090924 /nfs/dbraw/zinc/09/09/24/193090924.db2.gz FQWREZIENOLHFO-CYBMUJFWSA-N 1 2 303.280 2.027 10 0 DEAELO C[N@H+]1CCO[C@@H](C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000091688257 193090925 /nfs/dbraw/zinc/09/09/25/193090925.db2.gz FQWREZIENOLHFO-CYBMUJFWSA-N 1 2 303.280 2.027 10 0 DEAELO CCC(CC)([C@@H]([NH3+])CCCS(=O)(=O)CC)[NH+]1CCCC1 ZINC000091634703 193082845 /nfs/dbraw/zinc/08/28/45/193082845.db2.gz WKEICLTZEUDIPA-AWEZNQCLSA-N 1 2 304.500 2.183 10 0 DEAELO CC(=O)N1CCN(c2[nH+]c(C(C)C)nc3[nH]ccc32)[C@H](C)C1 ZINC000631167044 368057689 /nfs/dbraw/zinc/05/76/89/368057689.db2.gz DXDKTZRZVLCBGT-LLVKDONJSA-N 1 2 301.394 2.138 10 0 DEAELO Brc1c[nH]nc1C[NH2+]Cc1ccnn1CC1CCC1 ZINC000631076713 368004435 /nfs/dbraw/zinc/00/44/35/368004435.db2.gz OYJHJAFMZSTVNP-UHFFFAOYSA-N 1 2 324.226 2.459 10 0 DEAELO CC[NH2+][C@@]1(C(=O)OCC)CCC[C@@H](Sc2nnc(C)o2)C1 ZINC000093779035 193306255 /nfs/dbraw/zinc/30/62/55/193306255.db2.gz PYHRWQVTVOAQHU-RISCZKNCSA-N 1 2 313.423 2.324 10 0 DEAELO CC[NH2+][C@]1(C(=O)OC)CCC[C@@H](Sc2nccc(C)n2)C1 ZINC000093779090 193306500 /nfs/dbraw/zinc/30/65/00/193306500.db2.gz VFXJPOCPAOTURH-IUODEOHRSA-N 1 2 309.435 2.341 10 0 DEAELO CCOC(=O)[C@@]1([NH2+]C(C)C)CC[C@H](N(C)CC(F)(F)F)C1 ZINC000093825855 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O=C(NCc1ccn(C2CCCC2)n1)[C@@H]1CCCn2cc[nH+]c21 ZINC000178618894 402518447 /nfs/dbraw/zinc/51/84/47/402518447.db2.gz PUHDFADVTHVFLG-OAHLLOKOSA-N 1 2 313.405 2.389 10 0 DEAELO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000246491405 402533958 /nfs/dbraw/zinc/53/39/58/402533958.db2.gz SHJNXLCANUOTFZ-FPCVCCKLSA-N 1 2 311.470 2.077 10 0 DEAELO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000246491405 402533961 /nfs/dbraw/zinc/53/39/61/402533961.db2.gz SHJNXLCANUOTFZ-FPCVCCKLSA-N 1 2 311.470 2.077 10 0 DEAELO Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1Cl ZINC000179123628 402574167 /nfs/dbraw/zinc/57/41/67/402574167.db2.gz UBJZOEJRNWTTME-ZDUSSCGKSA-N 1 2 308.809 2.195 10 0 DEAELO COc1ccc(C[N@@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162632 402580166 /nfs/dbraw/zinc/58/01/66/402580166.db2.gz WIVLADYBTLBLGR-LSDHHAIUSA-N 1 2 303.362 2.349 10 0 DEAELO COc1ccc(C[N@H+]2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162632 402580167 /nfs/dbraw/zinc/58/01/67/402580167.db2.gz WIVLADYBTLBLGR-LSDHHAIUSA-N 1 2 303.362 2.349 10 0 DEAELO COc1ccccc1C[N@@H+]1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000190162688 402580191 /nfs/dbraw/zinc/58/01/91/402580191.db2.gz YUHCASYUMWVUMR-KBPBESRZSA-N 1 2 303.362 2.349 10 0 DEAELO COc1ccccc1C[N@H+]1C[C@@H](OC)C[C@H]1c1nc(C)no1 ZINC000190162688 402580192 /nfs/dbraw/zinc/58/01/92/402580192.db2.gz YUHCASYUMWVUMR-KBPBESRZSA-N 1 2 303.362 2.349 10 0 DEAELO CCCC[C@H]([NH2+][C@H]1C[C@@H](OCC)C12CCOCC2)C(=O)OC ZINC000248628579 402599984 /nfs/dbraw/zinc/59/99/84/402599984.db2.gz FTYBXEKOFJYWIC-SOUVJXGZSA-N 1 2 313.438 2.282 10 0 DEAELO Cc1nc(C[N@@H+]2CCC[C@@H](n3cncn3)C2)nc2ccccc12 ZINC000171618848 402601909 /nfs/dbraw/zinc/60/19/09/402601909.db2.gz UTKLASFQIRKAKF-CQSZACIVSA-N 1 2 308.389 2.367 10 0 DEAELO Cc1nc(C[N@H+]2CCC[C@@H](n3cncn3)C2)nc2ccccc12 ZINC000171618848 402601911 /nfs/dbraw/zinc/60/19/11/402601911.db2.gz UTKLASFQIRKAKF-CQSZACIVSA-N 1 2 308.389 2.367 10 0 DEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccnc1OC ZINC000248726932 402605483 /nfs/dbraw/zinc/60/54/83/402605483.db2.gz IYNIYOKZEKDCJH-CFVMTHIKSA-N 1 2 304.390 2.396 10 0 DEAELO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccnc1OC ZINC000248726932 402605485 /nfs/dbraw/zinc/60/54/85/402605485.db2.gz IYNIYOKZEKDCJH-CFVMTHIKSA-N 1 2 304.390 2.396 10 0 DEAELO O=C(NCCc1[nH]cc[nH+]1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000171756885 402619200 /nfs/dbraw/zinc/61/92/00/402619200.db2.gz OQXUTEDHIKURTP-UHFFFAOYSA-N 1 2 315.764 2.221 10 0 DEAELO C[C@@H]1C[N@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](CO)O1 ZINC000249299256 402625852 /nfs/dbraw/zinc/62/58/52/402625852.db2.gz NHPUCEBWEQPILT-DYVFJYSZSA-N 1 2 316.376 2.469 10 0 DEAELO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)C[C@@H](CO)O1 ZINC000249299256 402625855 /nfs/dbraw/zinc/62/58/55/402625855.db2.gz NHPUCEBWEQPILT-DYVFJYSZSA-N 1 2 316.376 2.469 10 0 DEAELO CCOC(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181305434 402640580 /nfs/dbraw/zinc/64/05/80/402640580.db2.gz AMSCBGRJZIAVLX-CQSZACIVSA-N 1 2 314.389 2.214 10 0 DEAELO CCOC(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181305434 402640582 /nfs/dbraw/zinc/64/05/82/402640582.db2.gz AMSCBGRJZIAVLX-CQSZACIVSA-N 1 2 314.389 2.214 10 0 DEAELO C[C@@H](CNC(=O)N1CCC(C(C)(C)C)CC1)[NH+]1CCOCC1 ZINC000172113195 402640769 /nfs/dbraw/zinc/64/07/69/402640769.db2.gz JWYRNMJLRFBQPW-AWEZNQCLSA-N 1 2 311.470 2.175 10 0 DEAELO Cc1nc(C[N@H+]2CCCN(C(=O)N[C@@H](C)C3CC3)CC2)cs1 ZINC000172110424 402641002 /nfs/dbraw/zinc/64/10/02/402641002.db2.gz YOVXHVIECRJCKA-LBPRGKRZSA-N 1 2 322.478 2.467 10 0 DEAELO Cc1nc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)C3CC3)CC2)cs1 ZINC000172110424 402641004 /nfs/dbraw/zinc/64/10/04/402641004.db2.gz YOVXHVIECRJCKA-LBPRGKRZSA-N 1 2 322.478 2.467 10 0 DEAELO CC1(C)C[N@H+](CCNC(=O)N2CCC[C@@H]2c2ccco2)CCO1 ZINC000172182472 402643917 /nfs/dbraw/zinc/64/39/17/402643917.db2.gz HZOYNRUPEKLIOD-CQSZACIVSA-N 1 2 321.421 2.237 10 0 DEAELO CC1(C)C[N@@H+](CCNC(=O)N2CCC[C@@H]2c2ccco2)CCO1 ZINC000172182472 402643918 /nfs/dbraw/zinc/64/39/18/402643918.db2.gz HZOYNRUPEKLIOD-CQSZACIVSA-N 1 2 321.421 2.237 10 0 DEAELO CC(=O)c1ccc(NC(=O)C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)cc1 ZINC000191146867 402645494 /nfs/dbraw/zinc/64/54/94/402645494.db2.gz IFVHFAZUANXHIK-RYUDHWBXSA-N 1 2 304.390 2.061 10 0 DEAELO CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000250258436 402646160 /nfs/dbraw/zinc/64/61/60/402646160.db2.gz ZXXBNCLIDRHHEM-SJORKVTESA-N 1 2 320.408 2.428 10 0 DEAELO CN(Cc1ccccc1F)C(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000250258436 402646161 /nfs/dbraw/zinc/64/61/61/402646161.db2.gz ZXXBNCLIDRHHEM-SJORKVTESA-N 1 2 320.408 2.428 10 0 DEAELO Cc1nnc([C@@H]2C[N@H+](Cc3cccc(OC(F)F)c3)CCO2)[nH]1 ZINC000173676439 402708088 /nfs/dbraw/zinc/70/80/88/402708088.db2.gz MKTBGAGGWSWGRG-ZDUSSCGKSA-N 1 2 324.331 2.288 10 0 DEAELO Cc1nnc([C@@H]2C[N@@H+](Cc3cccc(OC(F)F)c3)CCO2)[nH]1 ZINC000173676439 402708091 /nfs/dbraw/zinc/70/80/91/402708091.db2.gz MKTBGAGGWSWGRG-ZDUSSCGKSA-N 1 2 324.331 2.288 10 0 DEAELO CC(C)c1csc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)n1 ZINC000173783282 402712651 /nfs/dbraw/zinc/71/26/51/402712651.db2.gz ZEJBFIAGQDPGOJ-GFCCVEGCSA-N 1 2 324.450 2.205 10 0 DEAELO CSc1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173874014 402716160 /nfs/dbraw/zinc/71/61/60/402716160.db2.gz DCZAFKGXQKXGBY-CZUORRHYSA-N 1 2 320.458 2.201 10 0 DEAELO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)sc1C ZINC000173881165 402717005 /nfs/dbraw/zinc/71/70/05/402717005.db2.gz VYTAOVQCJSCKQG-OCCSQVGLSA-N 1 2 308.447 2.158 10 0 DEAELO Cc1n[nH]cc1CCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000173901163 402718298 /nfs/dbraw/zinc/71/82/98/402718298.db2.gz LPPOOUBKYXDXQI-UHFFFAOYSA-N 1 2 318.425 2.003 10 0 DEAELO Cc1nnc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n1C1CC1 ZINC000253394437 402663420 /nfs/dbraw/zinc/66/34/20/402663420.db2.gz FQOSZWXZEIWTAR-HZPDHXFCSA-N 1 2 316.380 2.368 10 0 DEAELO Cc1nnc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)n1C1CC1 ZINC000253394437 402663422 /nfs/dbraw/zinc/66/34/22/402663422.db2.gz FQOSZWXZEIWTAR-HZPDHXFCSA-N 1 2 316.380 2.368 10 0 DEAELO C/C(=C\C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000172743557 402673077 /nfs/dbraw/zinc/67/30/77/402673077.db2.gz PERZCMYMASELSE-ABDJAZHISA-N 1 2 318.392 2.162 10 0 DEAELO CCc1sc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1C ZINC000172748345 402673131 /nfs/dbraw/zinc/67/31/31/402673131.db2.gz XHBZNBLRHWEZOI-ZDUSSCGKSA-N 1 2 308.447 2.166 10 0 DEAELO CSc1ccsc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172764752 402674383 /nfs/dbraw/zinc/67/43/83/402674383.db2.gz DANPFCMYUIXMHE-LLVKDONJSA-N 1 2 312.460 2.017 10 0 DEAELO O=C(Cc1cccc2ccccc21)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172765494 402674736 /nfs/dbraw/zinc/67/47/36/402674736.db2.gz RUBNSQDTRUCJFF-GOSISDBHSA-N 1 2 324.424 2.315 10 0 DEAELO CC1(C)C[N@H+](CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000172889212 402679376 /nfs/dbraw/zinc/67/93/76/402679376.db2.gz BSCCFGATWQXTFM-CVEARBPZSA-N 1 2 308.466 2.430 10 0 DEAELO CC1(C)C[N@@H+](CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000172889212 402679377 /nfs/dbraw/zinc/67/93/77/402679377.db2.gz BSCCFGATWQXTFM-CVEARBPZSA-N 1 2 308.466 2.430 10 0 DEAELO C[C@H]1OCCC[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000191665564 402684857 /nfs/dbraw/zinc/68/48/57/402684857.db2.gz XBAWHHGWAQMOMR-HIFRSBDPSA-N 1 2 303.406 2.113 10 0 DEAELO Cc1cnc(CNC(=O)NCc2[nH+]ccn2CC(C)C)s1 ZINC000173450104 402698252 /nfs/dbraw/zinc/69/82/52/402698252.db2.gz MVZJUJSXFLGROS-UHFFFAOYSA-N 1 2 307.423 2.303 10 0 DEAELO Cc1csc([C@@H]2CCCN(C(=O)NCCn3cc[nH+]c3)C2)n1 ZINC000173478620 402699488 /nfs/dbraw/zinc/69/94/88/402699488.db2.gz NFMGYJHUMKCHGO-CYBMUJFWSA-N 1 2 319.434 2.237 10 0 DEAELO COc1n[nH]c(NC(=O)c2cccc(Oc3cc[nH+]cc3)c2)n1 ZINC000182983085 402731347 /nfs/dbraw/zinc/73/13/47/402731347.db2.gz VVQBBYLOBDLEBU-UHFFFAOYSA-N 1 2 311.301 2.253 10 0 DEAELO O=C(NCCCCC1CCCC1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000174204159 402731750 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c1csc([C@@H]2CN(Cc3cc4c(c[nH+]3)OCCO4)CCO2)c1 ZINC000637978566 406506828 /nfs/dbraw/zinc/50/68/28/406506828.db2.gz NZLGHSFNPKBPOH-HNNXBMFYSA-N 1 2 318.398 2.488 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC[C@@H]([C@H](C)O)C1)C2 ZINC000527250091 406603830 /nfs/dbraw/zinc/60/38/30/406603830.db2.gz CKFARWBTLWIDLJ-BFHYXJOUSA-N 1 2 319.449 2.257 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([C@H](C)O)C1)CC2 ZINC000527250091 406603833 /nfs/dbraw/zinc/60/38/33/406603833.db2.gz CKFARWBTLWIDLJ-BFHYXJOUSA-N 1 2 319.449 2.257 10 0 DEAELO Cc1ccc2oc(N3CCN(C)[C@H](c4[nH+]ccn4C)C3)nc2c1 ZINC000280447598 292405415 /nfs/dbraw/zinc/40/54/15/292405415.db2.gz KXNKXFIZUOCREE-AWEZNQCLSA-N 1 2 311.389 2.363 10 0 DEAELO CO[C@@H]1C[C@@H](c2[nH]cc[nH+]2)N(C(=O)C2Cc3ccccc3C2)C1 ZINC000644121725 407091156 /nfs/dbraw/zinc/09/11/56/407091156.db2.gz XVAKICNNVITGIW-CVEARBPZSA-N 1 2 311.385 2.113 10 0 DEAELO C[C@@H]1C(=O)NCCC[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000189304936 287180409 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ZINC000131141347 196143967 /nfs/dbraw/zinc/14/39/67/196143967.db2.gz OHHWMBOELVCWHI-CYBMUJFWSA-N 1 2 315.464 2.340 10 0 DEAELO CCNc1nc(N2CCCC2)nc(NCC[C@H](C)SC)[nH+]1 ZINC000131671941 196190096 /nfs/dbraw/zinc/19/00/96/196190096.db2.gz HCNBIXWSDJCEFT-NSHDSACASA-N 1 2 310.471 2.457 10 0 DEAELO CCNc1nc(NCC[C@H](C)SC)nc(N2CCCC2)[nH+]1 ZINC000131671941 196190098 /nfs/dbraw/zinc/19/00/98/196190098.db2.gz HCNBIXWSDJCEFT-NSHDSACASA-N 1 2 310.471 2.457 10 0 DEAELO CCNc1nc(NCC[C@H](C)SC)[nH+]c(N2CCCC2)n1 ZINC000131671941 196190100 /nfs/dbraw/zinc/19/01/00/196190100.db2.gz HCNBIXWSDJCEFT-NSHDSACASA-N 1 2 310.471 2.457 10 0 DEAELO Cc1[nH+]c2ccccc2n1CCNC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000131862673 196205300 /nfs/dbraw/zinc/20/53/00/196205300.db2.gz DXKWZKTYLRNFKA-ZDUSSCGKSA-N 1 2 323.400 2.304 10 0 DEAELO COc1ccc(N)cc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000132198560 196234716 /nfs/dbraw/zinc/23/47/16/196234716.db2.gz DUTFDSQUKJEZQN-WDEREUQCSA-N 1 2 309.435 2.042 10 0 DEAELO COc1ccc(N)cc1NC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000132198560 196234718 /nfs/dbraw/zinc/23/47/18/196234718.db2.gz DUTFDSQUKJEZQN-WDEREUQCSA-N 1 2 309.435 2.042 10 0 DEAELO CCCNc1nc(N2CCCN(C(C)=O)CC2)c(Cl)c[nH+]1 ZINC000132446491 196257283 /nfs/dbraw/zinc/25/72/83/196257283.db2.gz OCHIACKZVZKPGP-UHFFFAOYSA-N 1 2 311.817 2.011 10 0 DEAELO CCNc1nc(N[C@@H]2CCCC[C@H]2O)c(Br)c[nH+]1 ZINC000132672043 196274969 /nfs/dbraw/zinc/27/49/69/196274969.db2.gz IKVZAGADLPHRAZ-NXEZZACHSA-N 1 2 315.215 2.386 10 0 DEAELO CC[N@H+](CC(=O)NC(C)C)Cc1ccc(Br)cn1 ZINC000134536690 196399057 /nfs/dbraw/zinc/39/90/57/196399057.db2.gz VGHLRFMOJABEIC-UHFFFAOYSA-N 1 2 314.227 2.191 10 0 DEAELO CC[N@@H+](CC(=O)NC(C)C)Cc1ccc(Br)cn1 ZINC000134536690 196399059 /nfs/dbraw/zinc/39/90/59/196399059.db2.gz VGHLRFMOJABEIC-UHFFFAOYSA-N 1 2 314.227 2.191 10 0 DEAELO Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000191267544 225107414 /nfs/dbraw/zinc/10/74/14/225107414.db2.gz BIJJQEPBSIKUII-CJNGLKHVSA-N 1 2 322.836 2.441 10 0 DEAELO Cc1ncc(C[NH+]2CCN(c3ncncc3Cl)CC2)s1 ZINC000302272149 230205496 /nfs/dbraw/zinc/20/54/96/230205496.db2.gz SDSUGTXMPLSMLW-UHFFFAOYSA-N 1 2 309.826 2.217 10 0 DEAELO CC(C)C[N@H+](CC(N)=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000046513084 424821745 /nfs/dbraw/zinc/82/17/45/424821745.db2.gz OPHIPOBXFISTDZ-UHFFFAOYSA-N 1 2 305.353 2.424 10 0 DEAELO CC(C)C[N@@H+](CC(N)=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000046513084 424821747 /nfs/dbraw/zinc/82/17/47/424821747.db2.gz OPHIPOBXFISTDZ-UHFFFAOYSA-N 1 2 305.353 2.424 10 0 DEAELO Cc1ccc(NC(=O)Nc2cc([C@H]3CCCO3)[nH]n2)c(C)[nH+]1 ZINC000548710010 424872338 /nfs/dbraw/zinc/87/23/38/424872338.db2.gz YFJOTWBZGFGFAH-CYBMUJFWSA-N 1 2 301.350 2.917 10 0 DEAELO CC(C)n1ncnc1C[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000389839278 424915510 /nfs/dbraw/zinc/91/55/10/424915510.db2.gz MMHDDRCEOKFLAR-WBVHZDCISA-N 1 2 313.449 2.469 10 0 DEAELO C[C@@H](CNC(=O)c1cc(F)c(F)cc1Cl)[NH+]1CCOCC1 ZINC000046269777 267367147 /nfs/dbraw/zinc/36/71/47/267367147.db2.gz SSNKATAFCFFOOO-VIFPVBQESA-N 1 2 318.751 2.069 10 0 DEAELO CCC[C@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000173423313 267475685 /nfs/dbraw/zinc/47/56/85/267475685.db2.gz PGQUJZVPRNKFLT-STQMWFEESA-N 1 2 305.426 2.040 10 0 DEAELO CCC[C@H](C)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000173423313 267475690 /nfs/dbraw/zinc/47/56/90/267475690.db2.gz PGQUJZVPRNKFLT-STQMWFEESA-N 1 2 305.426 2.040 10 0 DEAELO CC(C)n1cc(C[NH2+]Cc2nn(C)cc2Br)cn1 ZINC000393335141 269099593 /nfs/dbraw/zinc/09/95/93/269099593.db2.gz BKJPSDZQYXDXMA-UHFFFAOYSA-N 1 2 312.215 2.250 10 0 DEAELO COC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCc1cc(C)no1 ZINC000507260388 269316355 /nfs/dbraw/zinc/31/63/55/269316355.db2.gz DEZJAWYJYLKLAG-OAHLLOKOSA-N 1 2 306.337 2.039 10 0 DEAELO c1ccc(Cn2nnnc2C[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000527324556 269525514 /nfs/dbraw/zinc/52/55/14/269525514.db2.gz QEFMSGJBUQHWQQ-GOSISDBHSA-N 1 2 320.400 2.357 10 0 DEAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cnc4c(C)cccn34)[C@H]2C1 ZINC000092096552 277295942 /nfs/dbraw/zinc/29/59/42/277295942.db2.gz PFHXZNDTFJJLQM-IKGGRYGDSA-N 1 2 315.417 2.411 10 0 DEAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cnc4c(C)cccn34)[C@H]2C1 ZINC000092096552 277295943 /nfs/dbraw/zinc/29/59/43/277295943.db2.gz PFHXZNDTFJJLQM-IKGGRYGDSA-N 1 2 315.417 2.411 10 0 DEAELO CO[C@@H]1CC[C@@H]2OCCN(Cc3c[nH+]c4c(C)cccn34)[C@H]2C1 ZINC000092096552 277295944 /nfs/dbraw/zinc/29/59/44/277295944.db2.gz PFHXZNDTFJJLQM-IKGGRYGDSA-N 1 2 315.417 2.411 10 0 DEAELO CC(C)c1ccc(NC(=O)C[N@@H+]2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000185901052 278039987 /nfs/dbraw/zinc/03/99/87/278039987.db2.gz CYIXLEDEGUJRKX-SFHVURJKSA-N 1 2 317.433 2.478 10 0 DEAELO CC(C)c1ccc(NC(=O)C[N@H+]2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000185901052 278039990 /nfs/dbraw/zinc/03/99/90/278039990.db2.gz CYIXLEDEGUJRKX-SFHVURJKSA-N 1 2 317.433 2.478 10 0 DEAELO CC(C)C[C@@H]1CCCCN1C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000123568069 279019017 /nfs/dbraw/zinc/01/90/17/279019017.db2.gz JHVNKOYOZVNKOD-CVEARBPZSA-N 1 2 311.470 2.317 10 0 DEAELO CC(C)c1[nH+]c2c(n1C)CCN(CC(=O)N1CCCC[C@@H]1C)C2 ZINC000106387515 280671756 /nfs/dbraw/zinc/67/17/56/280671756.db2.gz ZWUOZRDVJXWPBE-AWEZNQCLSA-N 1 2 318.465 2.303 10 0 DEAELO Cc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)n1 ZINC000124715970 281236854 /nfs/dbraw/zinc/23/68/54/281236854.db2.gz MGLWUWFLXTWWJC-OAHLLOKOSA-N 1 2 318.421 2.109 10 0 DEAELO CCC[C@H](CCO)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000074536273 281553388 /nfs/dbraw/zinc/55/33/88/281553388.db2.gz IZKVOFYUHSPFQS-CQSZACIVSA-N 1 2 310.442 2.137 10 0 DEAELO CCCN(Cc1ccccc1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000079252631 281588508 /nfs/dbraw/zinc/58/85/08/281588508.db2.gz BEEJHZCRTGSQED-INIZCTEOSA-N 1 2 319.449 2.329 10 0 DEAELO Cc1nc([C@@H]2C[C@@H]3CC[N@H+](Cc4nccs4)C[C@H]3O2)no1 ZINC000096046395 293375752 /nfs/dbraw/zinc/37/57/52/293375752.db2.gz ILCWFINJSHJVHA-SDDRHHMPSA-N 1 2 306.391 2.187 10 0 DEAELO Cc1nc([C@@H]2C[C@@H]3CC[N@@H+](Cc4nccs4)C[C@H]3O2)no1 ZINC000096046395 293375758 /nfs/dbraw/zinc/37/57/58/293375758.db2.gz 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/nfs/dbraw/zinc/28/35/54/326283554.db2.gz XELXHMRVXQKXFZ-UHFFFAOYSA-N 1 2 321.384 2.268 10 0 DEAELO Cc1ccc(C[S@](=O)Cc2ncnn2CC(C)C)c(C)[nH+]1 ZINC000187178503 332960375 /nfs/dbraw/zinc/96/03/75/332960375.db2.gz GRQQFRGXKXNVCK-NRFANRHFSA-N 1 2 306.435 2.395 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cn2ccnc2s1 ZINC000188553673 333048497 /nfs/dbraw/zinc/04/84/97/333048497.db2.gz DWWOWTCEASSIGJ-UHFFFAOYSA-N 1 2 303.391 2.178 10 0 DEAELO c1cc(N2CCC(OC[C@@H]3CCOC3)CC2)nc(C2CC2)[nH+]1 ZINC000302165344 534472173 /nfs/dbraw/zinc/47/21/73/534472173.db2.gz OQPJINPCNQBGCZ-CYBMUJFWSA-N 1 2 303.406 2.376 10 0 DEAELO c1nc(N2CCO[C@H](C3CCC3)C2)cc(N2CCCCC2)[nH+]1 ZINC000413475387 534530583 /nfs/dbraw/zinc/53/05/83/534530583.db2.gz KFZKIBXOSNYNBZ-HNNXBMFYSA-N 1 2 302.422 2.472 10 0 DEAELO c1nc(N2CCCCC2)cc(N2CCO[C@H](C3CCC3)C2)[nH+]1 ZINC000413475387 534530588 /nfs/dbraw/zinc/53/05/88/534530588.db2.gz KFZKIBXOSNYNBZ-HNNXBMFYSA-N 1 2 302.422 2.472 10 0 DEAELO O=C(C[C@@H]1CCCCC(=O)N1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000328685727 534685566 /nfs/dbraw/zinc/68/55/66/534685566.db2.gz XQZXCEVMKFPLSR-ZDUSSCGKSA-N 1 2 304.394 2.405 10 0 DEAELO Cc1ncc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)s1 ZINC000189709365 534738304 /nfs/dbraw/zinc/73/83/04/534738304.db2.gz MHCPDXQJNBYZJW-UHFFFAOYSA-N 1 2 303.435 2.374 10 0 DEAELO C[C@@H](c1ccccn1)[N@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000128124437 526113453 /nfs/dbraw/zinc/11/34/53/526113453.db2.gz QTLWEHZKOBWXNI-AWEZNQCLSA-N 1 2 319.430 2.053 10 0 DEAELO C[C@@H](c1ccccn1)[N@@H+](C)CCNS(=O)(=O)c1ccccc1 ZINC000128124437 526113454 /nfs/dbraw/zinc/11/34/54/526113454.db2.gz QTLWEHZKOBWXNI-AWEZNQCLSA-N 1 2 319.430 2.053 10 0 DEAELO C1CC1c1nnc2n1CCN(c1nc(C3CC3)[nH+]c3c1CCC3)C2 ZINC000329011658 526421174 /nfs/dbraw/zinc/42/11/74/526421174.db2.gz APMJRAWKFIENRT-UHFFFAOYSA-N 1 2 322.416 2.332 10 0 DEAELO CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262998576 536453610 /nfs/dbraw/zinc/45/36/10/536453610.db2.gz OLPAIVXMEDDGDT-LLVKDONJSA-N 1 2 306.715 2.435 10 0 DEAELO CC(=O)c1ccccc1OCC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000248326056 534926449 /nfs/dbraw/zinc/92/64/49/534926449.db2.gz BQRBSYHDNQZKLL-INIZCTEOSA-N 1 2 302.418 2.438 10 0 DEAELO CC(=O)c1ccccc1OCC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000248326056 534926452 /nfs/dbraw/zinc/92/64/52/534926452.db2.gz BQRBSYHDNQZKLL-INIZCTEOSA-N 1 2 302.418 2.438 10 0 DEAELO CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000333040673 535300143 /nfs/dbraw/zinc/30/01/43/535300143.db2.gz ZXVWHFLGJUJGSN-XHSDSOJGSA-N 1 2 320.437 2.118 10 0 DEAELO CC1(C)C[N@H+](CC(=O)NCc2ccco2)CC2(CCCC2)O1 ZINC000190984712 535352883 /nfs/dbraw/zinc/35/28/83/535352883.db2.gz OXJQBGNXFOFAJE-UHFFFAOYSA-N 1 2 306.406 2.319 10 0 DEAELO CCCn1cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cn1 ZINC000191742323 535609715 /nfs/dbraw/zinc/60/97/15/535609715.db2.gz SQZBSUWWWZBDQM-HNNXBMFYSA-N 1 2 305.451 2.317 10 0 DEAELO CCCn1cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cn1 ZINC000191742323 535609719 /nfs/dbraw/zinc/60/97/19/535609719.db2.gz SQZBSUWWWZBDQM-HNNXBMFYSA-N 1 2 305.451 2.317 10 0 DEAELO CO[C@H](C)c1nc(C)c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000246438904 536501731 /nfs/dbraw/zinc/50/17/31/536501731.db2.gz KBCROSDIWZJJRB-OLZOCXBDSA-N 1 2 323.462 2.469 10 0 DEAELO CO[C@H](C)c1nc(C)c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)s1 ZINC000246438904 536501734 /nfs/dbraw/zinc/50/17/34/536501734.db2.gz KBCROSDIWZJJRB-OLZOCXBDSA-N 1 2 323.462 2.469 10 0 DEAELO COc1ccc([C@H](NC(=O)C[C@@H](C)OC)c2[nH+]ccn2C)cc1 ZINC000195356249 536926214 /nfs/dbraw/zinc/92/62/14/536926214.db2.gz RGDHKRDHSMIMIT-WBMJQRKESA-N 1 2 317.389 2.059 10 0 DEAELO CNc1[nH+]cnc2c1cnn2C[C@@H](O)c1ccc(F)cc1Cl ZINC000193755377 625662214 /nfs/dbraw/zinc/66/22/14/625662214.db2.gz MNFOVBDUNQCVFH-GFCCVEGCSA-N 1 2 321.743 2.394 10 0 DEAELO C/C(=C/C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1cccc(F)c1 ZINC000255903055 625193932 /nfs/dbraw/zinc/19/39/32/625193932.db2.gz ACPVJRFRYSIETM-VWILAXROSA-N 1 2 318.392 2.162 10 0 DEAELO O=C(N[C@H]1COc2ccccc21)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177464869 625949163 /nfs/dbraw/zinc/94/91/63/625949163.db2.gz IOALFBWXVMEBFG-HIFRSBDPSA-N 1 2 312.373 2.191 10 0 DEAELO COc1c(C)cc(C[N@H+](CCS(C)(=O)=O)C2CC2)cc1C ZINC000093816431 634483062 /nfs/dbraw/zinc/48/30/62/634483062.db2.gz NMIZQSLWCCCEJJ-UHFFFAOYSA-N 1 2 311.447 2.321 10 0 DEAELO COc1c(C)cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)cc1C ZINC000093816431 634483064 /nfs/dbraw/zinc/48/30/64/634483064.db2.gz NMIZQSLWCCCEJJ-UHFFFAOYSA-N 1 2 311.447 2.321 10 0 DEAELO CCOC(=O)c1cnn(C[NH+]2CCC(OCC(C)C)CC2)c1 ZINC000179001106 637564486 /nfs/dbraw/zinc/56/44/86/637564486.db2.gz IAVBBBFABHNNGZ-UHFFFAOYSA-N 1 2 309.410 2.154 10 0 DEAELO CC(C)Cn1ncc2cc(C(=O)OCc3c[nH+]cn3C)cnc21 ZINC000747783934 638476735 /nfs/dbraw/zinc/47/67/35/638476735.db2.gz QYUOHDSABWFMCE-UHFFFAOYSA-N 1 2 313.361 2.178 10 0 DEAELO Brc1cnn(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000747828399 638482176 /nfs/dbraw/zinc/48/21/76/638482176.db2.gz HJXSYFRIJWNZBH-RYUDHWBXSA-N 1 2 314.227 2.352 10 0 DEAELO Brc1cnn(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000747828399 638482178 /nfs/dbraw/zinc/48/21/78/638482178.db2.gz HJXSYFRIJWNZBH-RYUDHWBXSA-N 1 2 314.227 2.352 10 0 DEAELO O=C(C[C@@H]1CSCCS1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000751805553 639123843 /nfs/dbraw/zinc/12/38/43/639123843.db2.gz RQGWIPPSNXXXPD-GFCCVEGCSA-N 1 2 311.476 2.354 10 0 DEAELO CC[C@H](O)[C@H](C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000900882194 642501807 /nfs/dbraw/zinc/50/18/07/642501807.db2.gz KZNNDUQUMMMZMB-ZENOOKHLSA-N 1 2 301.390 2.457 10 0 DEAELO CC(=O)c1cccc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000802138079 645487724 /nfs/dbraw/zinc/48/77/24/645487724.db2.gz ZUSMTTKKAAFHAM-INIZCTEOSA-N 1 2 305.374 2.155 10 0 DEAELO CC(=O)c1cccc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000802138079 645487726 /nfs/dbraw/zinc/48/77/26/645487726.db2.gz ZUSMTTKKAAFHAM-INIZCTEOSA-N 1 2 305.374 2.155 10 0 DEAELO CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)[S@@]1=O ZINC000806289697 645814568 /nfs/dbraw/zinc/81/45/68/645814568.db2.gz OWSQOUUCMIUULO-KDGBHJTFSA-N 1 2 320.418 2.098 10 0 DEAELO COc1c2c(sc1C(=O)NCCCn1cc[nH+]c1)CCC2 ZINC000223474356 646495843 /nfs/dbraw/zinc/49/58/43/646495843.db2.gz QUXQDFRIUPUAKZ-UHFFFAOYSA-N 1 2 305.403 2.262 10 0 DEAELO FC(F)(F)c1cc(Cl)nc(NCC[NH+]2CCOCC2)c1 ZINC000225796566 646552215 /nfs/dbraw/zinc/55/22/15/646552215.db2.gz AVWUUWWBHRKWGT-UHFFFAOYSA-N 1 2 309.719 2.498 10 0 DEAELO CCOC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000227020438 646590655 /nfs/dbraw/zinc/59/06/55/646590655.db2.gz KRQLGXDUJSDQIV-STQMWFEESA-N 1 2 314.426 2.175 10 0 DEAELO CC(=O)OC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000153315767 647413603 /nfs/dbraw/zinc/41/36/03/647413603.db2.gz IKSQTRAAVVIPAL-UHFFFAOYSA-N 1 2 314.389 2.010 10 0 DEAELO CCC1(CC)C[N@H+](C[C@H](O)c2ccc(F)cc2)CC[S@@]1=O ZINC000185232231 649478433 /nfs/dbraw/zinc/47/84/33/649478433.db2.gz NNPMFFIFQSJCNI-BTYIYWSLSA-N 1 2 313.438 2.482 10 0 DEAELO CCC1(CC)C[N@@H+](C[C@H](O)c2ccc(F)cc2)CC[S@@]1=O ZINC000185232231 649478435 /nfs/dbraw/zinc/47/84/35/649478435.db2.gz NNPMFFIFQSJCNI-BTYIYWSLSA-N 1 2 313.438 2.482 10 0 DEAELO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[C@@H]2CCOC2=O)CC1 ZINC000091689712 684037212 /nfs/dbraw/zinc/03/72/12/684037212.db2.gz HNVDRIQGOJFFHI-HUUCEWRRSA-N 1 2 320.408 2.458 10 0 DEAELO CC[N@@H+]1CCCC[C@H]1C(=O)Oc1cccc(CC(=O)OC)c1 ZINC000125709959 684147850 /nfs/dbraw/zinc/14/78/50/684147850.db2.gz GTBGNVXYTXYGFJ-HNNXBMFYSA-N 1 2 305.374 2.182 10 0 DEAELO CC[N@H+]1CCCC[C@H]1C(=O)Oc1cccc(CC(=O)OC)c1 ZINC000125709959 684147853 /nfs/dbraw/zinc/14/78/53/684147853.db2.gz GTBGNVXYTXYGFJ-HNNXBMFYSA-N 1 2 305.374 2.182 10 0 DEAELO COCCOCCCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000190430406 684406369 /nfs/dbraw/zinc/40/63/69/684406369.db2.gz HYOFBPBZWAAFNP-HNNXBMFYSA-N 1 2 321.417 2.030 10 0 DEAELO COCCOCCCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000190430406 684406370 /nfs/dbraw/zinc/40/63/70/684406370.db2.gz HYOFBPBZWAAFNP-HNNXBMFYSA-N 1 2 321.417 2.030 10 0 DEAELO C[C@H](CNC(=O)/C=C/Sc1ccccc1)[NH+]1CCOCC1 ZINC000193279010 685036669 /nfs/dbraw/zinc/03/66/69/685036669.db2.gz APNRXRIRTIZHFJ-WEKMIXOTSA-N 1 2 306.431 2.129 10 0 DEAELO C[C@H]1CCCN(c2cc(N3CCO[C@H](C(F)F)C3)nc[nH+]2)C1 ZINC000193580653 685043796 /nfs/dbraw/zinc/04/37/96/685043796.db2.gz RMFQFAQGUAGLOO-RYUDHWBXSA-N 1 2 312.364 2.183 10 0 DEAELO C[C@H]1CCCN(c2cc(N3CCO[C@H](C(F)F)C3)[nH+]cn2)C1 ZINC000193580653 685043800 /nfs/dbraw/zinc/04/38/00/685043800.db2.gz RMFQFAQGUAGLOO-RYUDHWBXSA-N 1 2 312.364 2.183 10 0 DEAELO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1c[nH]nn1 ZINC000398356020 790267266 /nfs/dbraw/zinc/26/72/66/790267266.db2.gz LKFKVHRKCDYUII-YPMHNXCESA-N 1 2 309.414 2.072 10 0 DEAELO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1cn[nH]n1 ZINC000398356020 790267270 /nfs/dbraw/zinc/26/72/70/790267270.db2.gz LKFKVHRKCDYUII-YPMHNXCESA-N 1 2 309.414 2.072 10 0 DEAELO C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000588589873 777558341 /nfs/dbraw/zinc/55/83/41/777558341.db2.gz NAQUAKUURGNGNH-GXTWGEPZSA-N 1 2 304.438 2.383 10 0 DEAELO C[C@H](C[NH2+]Cc1cn(C)nc1Br)N1CCCCC1 ZINC000712462983 792189189 /nfs/dbraw/zinc/18/91/89/792189189.db2.gz OOSIDRYAUYRUOZ-LLVKDONJSA-N 1 2 315.259 2.147 10 0 DEAELO Cc1c(F)ncnc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000710152131 1086687513 /nfs/dbraw/zinc/68/75/13/1086687513.db2.gz DPRSWPQQDUVMSB-OAHLLOKOSA-N 1 2 316.380 2.237 10 0 DEAELO Cc1c(F)ncnc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000710152131 1086687515 /nfs/dbraw/zinc/68/75/15/1086687515.db2.gz DPRSWPQQDUVMSB-OAHLLOKOSA-N 1 2 316.380 2.237 10 0 DEAELO CCn1nc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000074663810 185006003 /nfs/dbraw/zinc/00/60/03/185006003.db2.gz CBYDWVGRQYTHCW-UHFFFAOYSA-N 1 2 312.417 2.169 10 0 DEAELO Cc1ccc(C)n1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000074694475 185010070 /nfs/dbraw/zinc/01/00/70/185010070.db2.gz HUDISWXTLDPZNC-UHFFFAOYSA-N 1 2 312.417 2.239 10 0 DEAELO CCc1cc(N2CCOC[C@@H]2C[C@H](O)c2ccco2)nc(C)[nH+]1 ZINC000272862930 210255573 /nfs/dbraw/zinc/25/55/73/210255573.db2.gz MKEWYMODGUQSBL-GJZGRUSLSA-N 1 2 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CCCn1cc(C[N@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000245758867 284131286 /nfs/dbraw/zinc/13/12/86/284131286.db2.gz PEKOBTYPEKLSOW-LSDHHAIUSA-N 1 2 313.467 2.081 10 0 DEAELO CCCn1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cn1 ZINC000245758867 284131287 /nfs/dbraw/zinc/13/12/87/284131287.db2.gz PEKOBTYPEKLSOW-LSDHHAIUSA-N 1 2 313.467 2.081 10 0 DEAELO C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1O ZINC000093333782 193233452 /nfs/dbraw/zinc/23/34/52/193233452.db2.gz ZIGLJURMSHCRMV-RNCFNFMXSA-N 1 2 300.761 2.120 10 0 DEAELO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C[C@@H]1O ZINC000093333782 193233454 /nfs/dbraw/zinc/23/34/54/193233454.db2.gz ZIGLJURMSHCRMV-RNCFNFMXSA-N 1 2 300.761 2.120 10 0 DEAELO CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)[nH]1 ZINC000093438027 193252031 /nfs/dbraw/zinc/25/20/31/193252031.db2.gz SKRMPFDQOJFXJQ-OAHLLOKOSA-N 1 2 301.394 2.167 10 0 DEAELO CN(C)C(=O)c1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)[nH]1 ZINC000093438027 193252034 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JMJOYRDZQZOVAZ-INIZCTEOSA-N 1 2 311.389 2.124 10 0 DEAELO COCc1nc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)no1 ZINC000182419156 402688321 /nfs/dbraw/zinc/68/83/21/402688321.db2.gz MPTKNSWTNXQKQX-CQSZACIVSA-N 1 2 317.389 2.432 10 0 DEAELO COCc1nc(C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)no1 ZINC000182419156 402688323 /nfs/dbraw/zinc/68/83/23/402688323.db2.gz MPTKNSWTNXQKQX-CQSZACIVSA-N 1 2 317.389 2.432 10 0 DEAELO CC(C)(CNC(=O)NC/C=C\c1ccccc1)[NH+]1CCOCC1 ZINC000255573967 402691738 /nfs/dbraw/zinc/69/17/38/402691738.db2.gz WVYZYYLSDHEQKB-TWGQIWQCSA-N 1 2 317.433 2.110 10 0 DEAELO COc1ccc(F)cc1C[NH+]1CCN(Cc2cocn2)CC1 ZINC000191922352 402698640 /nfs/dbraw/zinc/69/86/40/402698640.db2.gz HFUNDBAYKTWWLD-UHFFFAOYSA-N 1 2 305.353 2.140 10 0 DEAELO CC[C@@H](O)CN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000174083526 402726323 /nfs/dbraw/zinc/72/63/23/402726323.db2.gz NUWOMJOCKYBDPM-OAHLLOKOSA-N 1 2 312.454 2.306 10 0 DEAELO CCc1nnc([C@H]2C[N@H+](Cc3cc(F)ccc3C)CCO2)[nH]1 ZINC000183261842 402751499 /nfs/dbraw/zinc/75/14/99/402751499.db2.gz CADVYCCCKUDHKC-CQSZACIVSA-N 1 2 304.369 2.388 10 0 DEAELO CCc1nnc([C@H]2C[N@@H+](Cc3cc(F)ccc3C)CCO2)[nH]1 ZINC000183261842 402751501 /nfs/dbraw/zinc/75/15/01/402751501.db2.gz CADVYCCCKUDHKC-CQSZACIVSA-N 1 2 304.369 2.388 10 0 DEAELO Cc1csc([C@H]2CCCN(C(=O)[C@H]3CC(F)(F)C[NH2+]3)C2)n1 ZINC000263283846 402754412 /nfs/dbraw/zinc/75/44/12/402754412.db2.gz UQJWPNGTXDWHHQ-WDEREUQCSA-N 1 2 315.389 2.155 10 0 DEAELO C[C@H](NC(=O)[C@@H]1CCCn2cc[nH+]c21)c1ccc2c(c1)OCO2 ZINC000174985000 402769294 /nfs/dbraw/zinc/76/92/94/402769294.db2.gz ADTZTKSMUGLBIN-WCQYABFASA-N 1 2 313.357 2.367 10 0 DEAELO Cc1nc(CNC(=O)NCc2ccc[nH+]c2N(C)C)sc1C ZINC000175079618 402776928 /nfs/dbraw/zinc/77/69/28/402776928.db2.gz VJRLNLWYAIZGMQ-UHFFFAOYSA-N 1 2 319.434 2.220 10 0 DEAELO Cc1nc(C(F)(F)F)c(C[N@@H+](CC(N)=O)CC(C)C)s1 ZINC000183568638 402777409 /nfs/dbraw/zinc/77/74/09/402777409.db2.gz JLHRGECRAXWUAT-UHFFFAOYSA-N 1 2 309.357 2.414 10 0 DEAELO Cc1nc(C(F)(F)F)c(C[N@H+](CC(N)=O)CC(C)C)s1 ZINC000183568638 402777412 /nfs/dbraw/zinc/77/74/12/402777412.db2.gz JLHRGECRAXWUAT-UHFFFAOYSA-N 1 2 309.357 2.414 10 0 DEAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)N(C)C(C)C)C2 ZINC000175211235 402788676 /nfs/dbraw/zinc/78/86/76/402788676.db2.gz RIPNWTJZHGRFGW-ZDUSSCGKSA-N 1 2 306.454 2.157 10 0 DEAELO CCOCCOCC(=O)Nc1ccc2[nH+]c(N(C)C)ccc2c1 ZINC000195354766 402843434 /nfs/dbraw/zinc/84/34/34/402843434.db2.gz IPOZZFKTTYBGLI-UHFFFAOYSA-N 1 2 317.389 2.292 10 0 DEAELO C[C@@H](N(C)C(=O)C1CC[NH+](Cc2nccn2C)CC1)C1(C)CC1 ZINC000175603778 402821320 /nfs/dbraw/zinc/82/13/20/402821320.db2.gz VIRDUTUYJJMCJW-CQSZACIVSA-N 1 2 318.465 2.279 10 0 DEAELO Cc1c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)oc2c1C(=O)CCC2 ZINC000195059178 402829827 /nfs/dbraw/zinc/82/98/27/402829827.db2.gz DNHRAAFDKLNZLO-CYBMUJFWSA-N 1 2 316.401 2.417 10 0 DEAELO Cc1c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)oc2c1C(=O)CCC2 ZINC000195059178 402829829 /nfs/dbraw/zinc/82/98/29/402829829.db2.gz DNHRAAFDKLNZLO-CYBMUJFWSA-N 1 2 316.401 2.417 10 0 DEAELO O[C@H](COCc1ccccc1)C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000175764148 402830276 /nfs/dbraw/zinc/83/02/76/402830276.db2.gz HJRUCGDLPPWMHQ-FUHWJXTLSA-N 1 2 317.385 2.231 10 0 DEAELO O[C@H](COCc1ccccc1)C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000175764148 402830282 /nfs/dbraw/zinc/83/02/82/402830282.db2.gz HJRUCGDLPPWMHQ-FUHWJXTLSA-N 1 2 317.385 2.231 10 0 DEAELO CCc1nnc(C[NH+]2CCC(Oc3ccccc3)CC2)n1C ZINC000195108503 402832405 /nfs/dbraw/zinc/83/24/05/402832405.db2.gz RWLAQDGYLAJKLI-UHFFFAOYSA-N 1 2 300.406 2.421 10 0 DEAELO Cn1cnc2cc(C(=O)N3CCCC[C@H]3c3[nH]cc[nH+]3)cnc21 ZINC000183649794 402785459 /nfs/dbraw/zinc/78/54/59/402785459.db2.gz BDAGABAIFPLKEI-ZDUSSCGKSA-N 1 2 310.361 2.059 10 0 DEAELO O=C(NCc1cccnc1-n1cc[nH+]c1)c1cc(F)ccc1O ZINC000175190836 402786450 /nfs/dbraw/zinc/78/64/50/402786450.db2.gz IUBZAYLCBNEWBB-UHFFFAOYSA-N 1 2 312.304 2.042 10 0 DEAELO CCCc1nc(C[N@@H+]2CCC[C@H](c3nncn3CC)C2)no1 ZINC000195520313 402850140 /nfs/dbraw/zinc/85/01/40/402850140.db2.gz PQOKGNQHUUHODF-LBPRGKRZSA-N 1 2 304.398 2.013 10 0 DEAELO CCCc1nc(C[N@H+]2CCC[C@H](c3nncn3CC)C2)no1 ZINC000195520313 402850141 /nfs/dbraw/zinc/85/01/41/402850141.db2.gz PQOKGNQHUUHODF-LBPRGKRZSA-N 1 2 304.398 2.013 10 0 DEAELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1CCCOC1 ZINC000280843594 403042546 /nfs/dbraw/zinc/04/25/46/403042546.db2.gz CCTBDGFTMDDSJI-KBPBESRZSA-N 1 2 306.410 2.319 10 0 DEAELO c1c(C[N@@H+]2CCO[C@]3(CCOC3)C2)onc1-c1ccccc1 ZINC000274419002 403053720 /nfs/dbraw/zinc/05/37/20/403053720.db2.gz NXPSBIKHBGIBOW-QGZVFWFLSA-N 1 2 300.358 2.333 10 0 DEAELO c1c(C[N@H+]2CCO[C@]3(CCOC3)C2)onc1-c1ccccc1 ZINC000274419002 403053721 /nfs/dbraw/zinc/05/37/21/403053721.db2.gz NXPSBIKHBGIBOW-QGZVFWFLSA-N 1 2 300.358 2.333 10 0 DEAELO Cc1cc(C)nc(N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)n1 ZINC000281741693 403087577 /nfs/dbraw/zinc/08/75/77/403087577.db2.gz FDQMVRGALVGCQB-CQSZACIVSA-N 1 2 313.405 2.212 10 0 DEAELO Cc1cc(NC(=O)N2CC(CO)C2)c[nH+]c1N1CCCC[C@H]1C ZINC000277388679 403212444 /nfs/dbraw/zinc/21/24/44/403212444.db2.gz JIUQFTBVXUIFLF-CYBMUJFWSA-N 1 2 318.421 2.225 10 0 DEAELO Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)ncn1 ZINC000301222269 403602769 /nfs/dbraw/zinc/60/27/69/403602769.db2.gz BDMFNGGGZQVEBK-KBPBESRZSA-N 1 2 313.405 2.406 10 0 DEAELO Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)nc[nH+]1 ZINC000301222269 403602772 /nfs/dbraw/zinc/60/27/72/403602772.db2.gz BDMFNGGGZQVEBK-KBPBESRZSA-N 1 2 313.405 2.406 10 0 DEAELO c1nnc([C@@H]([NH2+]C[C@H]2COc3ccccc3O2)c2ccccc2)[nH]1 ZINC000343509330 403617324 /nfs/dbraw/zinc/61/73/24/403617324.db2.gz KDIDKOFTIRUCCL-YOEHRIQHSA-N 1 2 322.368 2.324 10 0 DEAELO CNC(=O)[C@@H]1CCCC[C@H]1Nc1nc(C)[nH+]c2c1CCCC2 ZINC000302091104 403708149 /nfs/dbraw/zinc/70/81/49/403708149.db2.gz MELBKFGEGVPBRU-UKRRQHHQSA-N 1 2 302.422 2.381 10 0 DEAELO CCC1(CC)CN(c2nc(N)c3ccccc3[nH+]2)CC[S@]1=O ZINC000302228327 403709239 /nfs/dbraw/zinc/70/92/39/403709239.db2.gz VLGIUNSCLXHURV-JOCHJYFZSA-N 1 2 318.446 2.340 10 0 DEAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H]2CCSC2)C1 ZINC000333214988 403696877 /nfs/dbraw/zinc/69/68/77/403696877.db2.gz QMCAKQWLCVYROX-KGLIPLIRSA-N 1 2 322.478 2.137 10 0 DEAELO CC[C@@]1(CO)CCCN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000333346113 403730928 /nfs/dbraw/zinc/73/09/28/403730928.db2.gz USGVMCVHHXBSII-PBHICJAKSA-N 1 2 320.437 2.015 10 0 DEAELO C[C@H](Nc1nc[nH+]c(N)c1Cl)C(=O)N1CCc2ccccc21 ZINC000302890041 403740824 /nfs/dbraw/zinc/74/08/24/403740824.db2.gz NJMOLXYXXKRFKS-VIFPVBQESA-N 1 2 317.780 2.102 10 0 DEAELO C[C@H](Nc1[nH+]cnc(N)c1Cl)C(=O)N1CCc2ccccc21 ZINC000302890041 403740826 /nfs/dbraw/zinc/74/08/26/403740826.db2.gz NJMOLXYXXKRFKS-VIFPVBQESA-N 1 2 317.780 2.102 10 0 DEAELO Cc1cc(C)c(CNC(=O)N2CCc3cc[nH]c(=O)c3C2)c[nH+]1 ZINC000333731345 403835988 /nfs/dbraw/zinc/83/59/88/403835988.db2.gz WQQXMUPXEDVVEF-UHFFFAOYSA-N 1 2 312.373 2.067 10 0 DEAELO Cc1nscc1-c1nc([C@H]2C[N@@H+]3CCCC[C@@H]3CO2)no1 ZINC000333695063 403820435 /nfs/dbraw/zinc/82/04/35/403820435.db2.gz JQLMJBCDGLZEQB-ZYHUDNBSSA-N 1 2 306.391 2.427 10 0 DEAELO Cc1nscc1-c1nc([C@H]2C[N@H+]3CCCC[C@@H]3CO2)no1 ZINC000333695063 403820441 /nfs/dbraw/zinc/82/04/41/403820441.db2.gz JQLMJBCDGLZEQB-ZYHUDNBSSA-N 1 2 306.391 2.427 10 0 DEAELO Cc1c(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cnn1C ZINC000305179453 403863816 /nfs/dbraw/zinc/86/38/16/403863816.db2.gz BPBDWGFLEDTJSJ-CZUORRHYSA-N 1 2 307.344 2.315 10 0 DEAELO Cc1c(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cnn1C ZINC000305179453 403863822 /nfs/dbraw/zinc/86/38/22/403863822.db2.gz BPBDWGFLEDTJSJ-CZUORRHYSA-N 1 2 307.344 2.315 10 0 DEAELO Brc1cc(C[N@@H+]2CCN3CCOC[C@H]3C2)cs1 ZINC000368821353 403870237 /nfs/dbraw/zinc/87/02/37/403870237.db2.gz BPKLGPLARIRMND-LLVKDONJSA-N 1 2 317.252 2.027 10 0 DEAELO Brc1cc(C[N@H+]2CCN3CCOC[C@H]3C2)cs1 ZINC000368821353 403870247 /nfs/dbraw/zinc/87/02/47/403870247.db2.gz BPKLGPLARIRMND-LLVKDONJSA-N 1 2 317.252 2.027 10 0 DEAELO C[C@@H]1CCOCC[N@@H+]1CC(=O)N1CCSc2ccccc21 ZINC000362049102 403922215 /nfs/dbraw/zinc/92/22/15/403922215.db2.gz YWLBOMQNFRDRQY-CYBMUJFWSA-N 1 2 306.431 2.236 10 0 DEAELO C[C@@H]1CCOCC[N@H+]1CC(=O)N1CCSc2ccccc21 ZINC000362049102 403922218 /nfs/dbraw/zinc/92/22/18/403922218.db2.gz YWLBOMQNFRDRQY-CYBMUJFWSA-N 1 2 306.431 2.236 10 0 DEAELO c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)n(-c2ccccc2)n1 ZINC000289400599 403945572 /nfs/dbraw/zinc/94/55/72/403945572.db2.gz OPCRGVHYGHCXQP-GOSISDBHSA-N 1 2 313.401 2.254 10 0 DEAELO c1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)n(-c2ccccc2)n1 ZINC000289400599 403945576 /nfs/dbraw/zinc/94/55/76/403945576.db2.gz OPCRGVHYGHCXQP-GOSISDBHSA-N 1 2 313.401 2.254 10 0 DEAELO Cc1nc(N(C)Cc2cccc(Br)c2)nc(N)[nH+]1 ZINC000310635140 403968418 /nfs/dbraw/zinc/96/84/18/403968418.db2.gz QCLYRPKQQINBDH-UHFFFAOYSA-N 1 2 308.183 2.161 10 0 DEAELO Cc1nc(N)nc(N(C)Cc2cccc(Br)c2)[nH+]1 ZINC000310635140 403968421 /nfs/dbraw/zinc/96/84/21/403968421.db2.gz QCLYRPKQQINBDH-UHFFFAOYSA-N 1 2 308.183 2.161 10 0 DEAELO 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ZINC000277471287 403221198 /nfs/dbraw/zinc/22/11/98/403221198.db2.gz OVTXHFMPMNJHNX-UHFFFAOYSA-N 1 2 323.400 2.078 10 0 DEAELO O=C1Cc2ccccc2N1CCNc1cc(N2CCCC2)[nH+]cn1 ZINC000277471287 403221201 /nfs/dbraw/zinc/22/12/01/403221201.db2.gz OVTXHFMPMNJHNX-UHFFFAOYSA-N 1 2 323.400 2.078 10 0 DEAELO CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CCCOC1)C2 ZINC000332752822 403612025 /nfs/dbraw/zinc/61/20/25/403612025.db2.gz FZPVMTKTVHEDHD-QWHCGFSZSA-N 1 2 305.422 2.038 10 0 DEAELO COc1cc(OC)cc(N2CC[C@H](Nc3cc(C)[nH+]cn3)C2)c1 ZINC000301491272 403637002 /nfs/dbraw/zinc/63/70/02/403637002.db2.gz NFOCOORIECSUGU-ZDUSSCGKSA-N 1 2 314.389 2.493 10 0 DEAELO O=C(c1cccc(Oc2cc[nH+]cc2)c1)N1C[C@@H](F)C[C@H]1CO ZINC000347405212 403698566 /nfs/dbraw/zinc/69/85/66/403698566.db2.gz IDBBOZGYHVQFGS-KBPBESRZSA-N 1 2 316.332 2.419 10 0 DEAELO Cc1nc(N2CCCC[C@H]2[C@@H]2CNC(=O)C2)c2c([nH+]1)CCCC2 ZINC000302102871 403707673 /nfs/dbraw/zinc/70/76/73/403707673.db2.gz QMBNNXGKXBLHBT-BBRMVZONSA-N 1 2 314.433 2.159 10 0 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ZINC000378467926 404973785 /nfs/dbraw/zinc/97/37/85/404973785.db2.gz XVIPKEXJFYXTFD-ZDUSSCGKSA-N 1 2 320.462 2.069 10 0 DEAELO Cc1ccc(Cl)c(S(=O)(=O)N2CCn3cc[nH+]c3C2)c1 ZINC000408038185 405095378 /nfs/dbraw/zinc/09/53/78/405095378.db2.gz JOEWUPWBRPJZKS-UHFFFAOYSA-N 1 2 311.794 2.049 10 0 DEAELO Cc1nn(C)c(C[NH2+]Cc2ccc(C)cn2)c1Br ZINC000400888899 405063087 /nfs/dbraw/zinc/06/30/87/405063087.db2.gz KKVYRSFWMUVLTL-UHFFFAOYSA-N 1 2 309.211 2.484 10 0 DEAELO Cc1nc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c2c([nH+]1)CCCC2 ZINC000408173228 405130810 /nfs/dbraw/zinc/13/08/10/405130810.db2.gz HVYMGDRPHQGEJG-NVBFEUDRSA-N 1 2 300.406 2.085 10 0 DEAELO Cc1nnc([C@@H]2C[N@H+](C[C@@H]3CCCCC3(F)F)CCO2)[nH]1 ZINC000408458372 405210446 /nfs/dbraw/zinc/21/04/46/405210446.db2.gz SVQNDZXIBACVTJ-RYUDHWBXSA-N 1 2 300.353 2.312 10 0 DEAELO Cc1nnc([C@@H]2C[N@@H+](C[C@@H]3CCCCC3(F)F)CCO2)[nH]1 ZINC000408458372 405210452 /nfs/dbraw/zinc/21/04/52/405210452.db2.gz SVQNDZXIBACVTJ-RYUDHWBXSA-N 1 2 300.353 2.312 10 0 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STVXYPPAYAVEDU-AWEZNQCLSA-N 1 2 301.390 2.220 10 0 DEAELO COc1nsc(C[NH2+]Cc2ccno2)c1Br ZINC000639041520 405838052 /nfs/dbraw/zinc/83/80/52/405838052.db2.gz MDUHHSMZYAYTNC-UHFFFAOYSA-N 1 2 304.169 2.192 10 0 DEAELO CCn1nncc1C[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000459333690 405859105 /nfs/dbraw/zinc/85/91/05/405859105.db2.gz ZXDOVECCPLSGCE-UHFFFAOYSA-N 1 2 304.394 2.337 10 0 DEAELO CCn1nncc1C[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC000459333690 405859107 /nfs/dbraw/zinc/85/91/07/405859107.db2.gz ZXDOVECCPLSGCE-UHFFFAOYSA-N 1 2 304.394 2.337 10 0 DEAELO c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)n(CC2CCC2)n1 ZINC000639157357 405932514 /nfs/dbraw/zinc/93/25/14/405932514.db2.gz MIQAGPQMLRHZLB-QGZVFWFLSA-N 1 2 305.422 2.065 10 0 DEAELO c1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)n(CC2CCC2)n1 ZINC000639157357 405932525 /nfs/dbraw/zinc/93/25/25/405932525.db2.gz MIQAGPQMLRHZLB-QGZVFWFLSA-N 1 2 305.422 2.065 10 0 DEAELO O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000561917570 405953408 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ZINC000119489696 525969381 /nfs/dbraw/zinc/96/93/81/525969381.db2.gz DQLSZMQEAVGTPH-GJZGRUSLSA-N 1 2 312.417 2.400 10 0 DEAELO CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1C ZINC000299489232 527157716 /nfs/dbraw/zinc/15/77/16/527157716.db2.gz ZZOVIUOFEZJUPU-ADLMAVQZSA-N 1 2 320.433 2.500 10 0 DEAELO CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)c1C ZINC000299489232 527157721 /nfs/dbraw/zinc/15/77/21/527157721.db2.gz ZZOVIUOFEZJUPU-ADLMAVQZSA-N 1 2 320.433 2.500 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](C)NC(=O)CC(C)(C)C ZINC000189857929 528730013 /nfs/dbraw/zinc/73/00/13/528730013.db2.gz BCYHAPPNLRJOAO-ZDUSSCGKSA-N 1 2 322.453 2.096 10 0 DEAELO CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000192317584 528857800 /nfs/dbraw/zinc/85/78/00/528857800.db2.gz PPDGSGLWJFVGEC-CABCVRRESA-N 1 2 322.453 2.435 10 0 DEAELO CC(C)Oc1cccc(CN(C)C(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000263138999 535036431 /nfs/dbraw/zinc/03/64/31/535036431.db2.gz CFUPIPVCXCYNGL-AWEZNQCLSA-N 1 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DEAELO COC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3cccs3)o2)C1 ZINC000096693124 185385442 /nfs/dbraw/zinc/38/54/42/185385442.db2.gz PGSBJUCROKUMNN-SNVBAGLBSA-N 1 2 307.375 2.183 10 0 DEAELO COC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccs3)o2)C1 ZINC000096693124 185385443 /nfs/dbraw/zinc/38/54/43/185385443.db2.gz PGSBJUCROKUMNN-SNVBAGLBSA-N 1 2 307.375 2.183 10 0 DEAELO Cc1[nH]c2cccc(Cl)c2c1C(=O)NCC[NH+]1CCOCC1 ZINC000082303230 185174690 /nfs/dbraw/zinc/17/46/90/185174690.db2.gz VLJUKEVBXSLCEN-UHFFFAOYSA-N 1 2 321.808 2.192 10 0 DEAELO O=C(C[C@H]1CCCSC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000082315871 185175778 /nfs/dbraw/zinc/17/57/78/185175778.db2.gz NNTOIZWTWHEJEN-CQSZACIVSA-N 1 2 305.447 2.264 10 0 DEAELO O=S1(=O)C=C[C@@H]([NH2+]Cc2nc(-c3ccccc3)cs2)C1 ZINC000088854878 185267037 /nfs/dbraw/zinc/26/70/37/185267037.db2.gz UWJZOWMHPMZLKN-GFCCVEGCSA-N 1 2 306.412 2.210 10 0 DEAELO CCn1cncc1[C@H]([NH2+]CCOC)c1nc2c(s1)CCC2 ZINC000090176253 185285087 /nfs/dbraw/zinc/28/50/87/185285087.db2.gz 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314.360 2.488 10 0 DEAELO OC1(c2ccc(F)cc2)C[NH+](Cc2cccc3c2OCO3)C1 ZINC000375075918 148327977 /nfs/dbraw/zinc/32/79/77/148327977.db2.gz WFCNEUHDJLRPPB-UHFFFAOYSA-N 1 2 301.317 2.258 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@](C)(O)C1)C2 ZINC000375263248 148349322 /nfs/dbraw/zinc/34/93/22/148349322.db2.gz IRWIXYCIVQNZFZ-SJCJKPOMSA-N 1 2 305.422 2.011 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@](C)(O)C1)CC2 ZINC000375263248 148349325 /nfs/dbraw/zinc/34/93/25/148349325.db2.gz IRWIXYCIVQNZFZ-SJCJKPOMSA-N 1 2 305.422 2.011 10 0 DEAELO COc1ccc(C)nc1NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000127176097 401723303 /nfs/dbraw/zinc/72/33/03/401723303.db2.gz QDBJMOLYOMORKI-UHFFFAOYSA-N 1 2 315.377 2.181 10 0 DEAELO Cc1cc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc[nH+]1 ZINC000112298546 401737425 /nfs/dbraw/zinc/73/74/25/401737425.db2.gz DZZXHDZOXRWGAG-AWEZNQCLSA-N 1 2 319.430 2.420 10 0 DEAELO C[C@@H]1CCN(C(=O)c2cnn3c2CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000127689922 401745915 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323.481 2.064 10 0 DEAELO C[C@H](CC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1cccc(F)c1 ZINC000116172328 401843828 /nfs/dbraw/zinc/84/38/28/401843828.db2.gz LCBZYVNNENASCX-ZIAGYGMSSA-N 1 2 308.397 2.156 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1cccc(-n2cncn2)c1 ZINC000131086186 401843970 /nfs/dbraw/zinc/84/39/70/401843970.db2.gz LZCGWWWBAVSJND-UHFFFAOYSA-N 1 2 324.388 2.050 10 0 DEAELO C[C@H](NC(=O)Cc1cn2ccccc2[nH+]1)c1ccc2c(c1)OCO2 ZINC000027692754 401847092 /nfs/dbraw/zinc/84/70/92/401847092.db2.gz IHACRQJXWPISQV-LBPRGKRZSA-N 1 2 323.352 2.483 10 0 DEAELO C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1cccnc1 ZINC000132368822 401866293 /nfs/dbraw/zinc/86/62/93/401866293.db2.gz DRYDMSYSSVSSAR-ZDUSSCGKSA-N 1 2 315.339 2.314 10 0 DEAELO C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)Cc1cccnc1 ZINC000132368822 401866294 /nfs/dbraw/zinc/86/62/94/401866294.db2.gz DRYDMSYSSVSSAR-ZDUSSCGKSA-N 1 2 315.339 2.314 10 0 DEAELO O=C(CCc1ccccc1Cl)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000114857562 401812742 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CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117893269 401887109 /nfs/dbraw/zinc/88/71/09/401887109.db2.gz ZVJYUEBNRBRBMN-GFCCVEGCSA-N 1 2 321.446 2.460 10 0 DEAELO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117893269 401887113 /nfs/dbraw/zinc/88/71/13/401887113.db2.gz ZVJYUEBNRBRBMN-GFCCVEGCSA-N 1 2 321.446 2.460 10 0 DEAELO COC[C@@H]1C[N@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCO1 ZINC000084091819 401901990 /nfs/dbraw/zinc/90/19/90/401901990.db2.gz SQCZGVZAKUCRLP-AWEZNQCLSA-N 1 2 324.446 2.308 10 0 DEAELO COC[C@@H]1C[N@@H+](Cc2ccc(SC(=O)N(C)C)cc2)CCO1 ZINC000084091819 401901993 /nfs/dbraw/zinc/90/19/93/401901993.db2.gz SQCZGVZAKUCRLP-AWEZNQCLSA-N 1 2 324.446 2.308 10 0 DEAELO CCC(C)(C)NC(=O)CN1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000118836499 401910369 /nfs/dbraw/zinc/91/03/69/401910369.db2.gz JXZHORWXVVAMRI-OAHLLOKOSA-N 1 2 318.465 2.065 10 0 DEAELO CCC(C)(C)NC(=O)C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000118836499 401910371 /nfs/dbraw/zinc/91/03/71/401910371.db2.gz 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Cc1noc([C@H]2C[C@@H](O)C[N@@H+]2C[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000329820077 404462224 /nfs/dbraw/zinc/46/22/24/404462224.db2.gz GLBKWCHBKCXULN-QLFBSQMISA-N 1 2 321.421 2.368 10 0 DEAELO Cc1noc([C@H]2C[C@@H](O)C[N@H+]2C[C@@H]2CCC3(CCCCC3)O2)n1 ZINC000329820077 404462232 /nfs/dbraw/zinc/46/22/32/404462232.db2.gz GLBKWCHBKCXULN-QLFBSQMISA-N 1 2 321.421 2.368 10 0 DEAELO c1nnc([C@@H]([NH2+]CCO[C@@H]2CCCCO2)c2ccccc2)[nH]1 ZINC000365340821 404623880 /nfs/dbraw/zinc/62/38/80/404623880.db2.gz BSVPWEGRQMOBJN-CABCVRRESA-N 1 2 302.378 2.027 10 0 DEAELO CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000375897690 404768333 /nfs/dbraw/zinc/76/83/33/404768333.db2.gz KLWHEEWJUZIRML-RDBSUJKOSA-N 1 2 319.405 2.156 10 0 DEAELO CN(C)c1[nH+]cc(CNCc2ccn(Cc3ccccc3)n2)n1C ZINC000389916464 405041566 /nfs/dbraw/zinc/04/15/66/405041566.db2.gz NHZMZPIYFHCKFW-UHFFFAOYSA-N 1 2 324.432 2.021 10 0 DEAELO CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451903457 405087148 /nfs/dbraw/zinc/08/71/48/405087148.db2.gz PNPYFVZDOZKGBR-GOSISDBHSA-N 1 2 316.401 2.330 10 0 DEAELO CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451903457 405087152 /nfs/dbraw/zinc/08/71/52/405087152.db2.gz PNPYFVZDOZKGBR-GOSISDBHSA-N 1 2 316.401 2.330 10 0 DEAELO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CCc2cncnc2C1 ZINC000408094286 405110310 /nfs/dbraw/zinc/11/03/10/405110310.db2.gz RWCOEZPPXNYHBN-KQTLUZQSSA-N 1 2 316.449 2.164 10 0 DEAELO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@H+]1CCc2cncnc2C1 ZINC000408094286 405110316 /nfs/dbraw/zinc/11/03/16/405110316.db2.gz RWCOEZPPXNYHBN-KQTLUZQSSA-N 1 2 316.449 2.164 10 0 DEAELO Cc1cc(CN(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)no1 ZINC000408473439 405215868 /nfs/dbraw/zinc/21/58/68/405215868.db2.gz GDOYETOOQMZCLH-IUODEOHRSA-N 1 2 314.389 2.109 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)CC(C)(C)CO)C2 ZINC000452938569 405262297 /nfs/dbraw/zinc/26/22/97/405262297.db2.gz RWVGHAGTTOAOCS-GFCCVEGCSA-N 1 2 307.438 2.115 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)CC(C)(C)CO)CC2 ZINC000452938569 405262300 /nfs/dbraw/zinc/26/23/00/405262300.db2.gz RWVGHAGTTOAOCS-GFCCVEGCSA-N 1 2 307.438 2.115 10 0 DEAELO Cc1cnc(N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)nc1C ZINC000582194066 405690490 /nfs/dbraw/zinc/69/04/90/405690490.db2.gz PSXXKLWPAQCLPU-AWEZNQCLSA-N 1 2 313.405 2.212 10 0 DEAELO O=C(c1ccsc1Br)N1CC[NH+](C2CC2)CC1 ZINC000449813936 405716247 /nfs/dbraw/zinc/71/62/47/405716247.db2.gz QKDPPSVJLPJBRF-UHFFFAOYSA-N 1 2 315.236 2.431 10 0 DEAELO COc1cccc(C[N@@H+]2CCN(C)[C@H](c3nc(C)no3)C2)c1F ZINC000583617434 405775013 /nfs/dbraw/zinc/77/50/13/405775013.db2.gz NHMDFVMZMAVDGP-ZDUSSCGKSA-N 1 2 320.368 2.014 10 0 DEAELO COc1cccc(C[N@H+]2CCN(C)[C@H](c3nc(C)no3)C2)c1F ZINC000583617434 405775020 /nfs/dbraw/zinc/77/50/20/405775020.db2.gz NHMDFVMZMAVDGP-ZDUSSCGKSA-N 1 2 320.368 2.014 10 0 DEAELO CC(=O)[C@@](C)(O)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000450325696 405835523 /nfs/dbraw/zinc/83/55/23/405835523.db2.gz FDHVJNADVRBLPG-AWEZNQCLSA-N 1 2 312.207 2.147 10 0 DEAELO CC(=O)[C@@](C)(O)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000450325696 405835526 /nfs/dbraw/zinc/83/55/26/405835526.db2.gz FDHVJNADVRBLPG-AWEZNQCLSA-N 1 2 312.207 2.147 10 0 DEAELO CCn1nncc1C[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000459308643 405846233 /nfs/dbraw/zinc/84/62/33/405846233.db2.gz YCDIMXVKEQTRDS-UHFFFAOYSA-N 1 2 304.394 2.256 10 0 DEAELO CCn1nncc1C[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000459308643 405846239 /nfs/dbraw/zinc/84/62/39/405846239.db2.gz YCDIMXVKEQTRDS-UHFFFAOYSA-N 1 2 304.394 2.256 10 0 DEAELO O=S(=O)(c1ccccc1)N1CCCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000616600619 405927437 /nfs/dbraw/zinc/92/74/37/405927437.db2.gz AGGOAPCHPWJPCC-ZDUSSCGKSA-N 1 2 305.403 2.368 10 0 DEAELO c1cc(C[NH+]2CCN(Cc3nc(CC4CC4)no3)CC2)cs1 ZINC000639431717 406085929 /nfs/dbraw/zinc/08/59/29/406085929.db2.gz BWTTYJBCHMPRFL-UHFFFAOYSA-N 1 2 318.446 2.401 10 0 DEAELO CC(=O)N1CC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000533024682 406116627 /nfs/dbraw/zinc/11/66/27/406116627.db2.gz FAFNIVIFTFNSTM-SALMBKGGSA-N 1 2 318.461 2.325 10 0 DEAELO CC(=O)N1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000533024682 406116632 /nfs/dbraw/zinc/11/66/32/406116632.db2.gz FAFNIVIFTFNSTM-SALMBKGGSA-N 1 2 318.461 2.325 10 0 DEAELO CCC(=O)N[C@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000535820958 406241636 /nfs/dbraw/zinc/24/16/36/406241636.db2.gz VMJOPTZDKXQQRC-JSGCOSHPSA-N 1 2 323.462 2.485 10 0 DEAELO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000535820958 406241638 /nfs/dbraw/zinc/24/16/38/406241638.db2.gz VMJOPTZDKXQQRC-JSGCOSHPSA-N 1 2 323.462 2.485 10 0 DEAELO C[C@H]1CC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C[C@H](C)O1 ZINC000536616771 406270670 /nfs/dbraw/zinc/27/06/70/406270670.db2.gz PAYZATMFJSVFTG-RYUDHWBXSA-N 1 2 306.410 2.255 10 0 DEAELO Cn1ccc([C@H]([NH2+]C[C@H](O)C(F)F)c2ccc(Cl)cc2)n1 ZINC000570606654 406415230 /nfs/dbraw/zinc/41/52/30/406415230.db2.gz YNRUPKPUPNDGHB-QWHCGFSZSA-N 1 2 315.751 2.379 10 0 DEAELO O=C(Cn1cc[nH+]c1)N1CCc2cc(Br)ccc21 ZINC000571221859 406492711 /nfs/dbraw/zinc/49/27/11/406492711.db2.gz TVAYUWAHBHFKGA-UHFFFAOYSA-N 1 2 306.163 2.235 10 0 DEAELO c1cc(-c2n[nH]cc2C[N@@H+]2CCO[C@@]3(CCOC3)C2)cs1 ZINC000526116250 406548230 /nfs/dbraw/zinc/54/82/30/406548230.db2.gz HTPPPQGGQNCEOP-HNNXBMFYSA-N 1 2 305.403 2.130 10 0 DEAELO c1cc(-c2n[nH]cc2C[N@H+]2CCO[C@@]3(CCOC3)C2)cs1 ZINC000526116250 406548234 /nfs/dbraw/zinc/54/82/34/406548234.db2.gz HTPPPQGGQNCEOP-HNNXBMFYSA-N 1 2 305.403 2.130 10 0 DEAELO c1nc(N2CCCC2)ncc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000552148023 406689520 /nfs/dbraw/zinc/68/95/20/406689520.db2.gz LWPCSVDPYQHFHW-QGZVFWFLSA-N 1 2 316.449 2.468 10 0 DEAELO c1nc(N2CCCC2)ncc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000552148023 406689525 /nfs/dbraw/zinc/68/95/25/406689525.db2.gz LWPCSVDPYQHFHW-QGZVFWFLSA-N 1 2 316.449 2.468 10 0 DEAELO O=C(NCCOCC1CCC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000572691850 406719244 /nfs/dbraw/zinc/71/92/44/406719244.db2.gz BJBBHDDORUEHSA-AWEZNQCLSA-N 1 2 306.410 2.463 10 0 DEAELO C[C@@H]1CC(NC(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H](C)C1 ZINC000552743711 406719792 /nfs/dbraw/zinc/71/97/92/406719792.db2.gz JQEKODDFFQFXTC-RYUDHWBXSA-N 1 2 314.389 2.214 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](CO)CC1CCC1)C2 ZINC000552759438 406721320 /nfs/dbraw/zinc/72/13/20/406721320.db2.gz DLYKFNWYOLSMAP-KGLIPLIRSA-N 1 2 319.449 2.305 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](CO)CC1CCC1)CC2 ZINC000552759438 406721322 /nfs/dbraw/zinc/72/13/22/406721322.db2.gz DLYKFNWYOLSMAP-KGLIPLIRSA-N 1 2 319.449 2.305 10 0 DEAELO COC[C@H](O)C[NH2+][C@H](C)c1noc(-c2ccc(Cl)cc2)n1 ZINC000554869552 406826598 /nfs/dbraw/zinc/82/65/98/406826598.db2.gz FMCRMGNESHAQAJ-BXKDBHETSA-N 1 2 311.769 2.048 10 0 DEAELO CNc1nc(N(C)Cc2ccsc2)nc(N2CCCC2)[nH+]1 ZINC000129077860 196017454 /nfs/dbraw/zinc/01/74/54/196017454.db2.gz OXPKIQMWMFFQHY-UHFFFAOYSA-N 1 2 304.423 2.211 10 0 DEAELO CNc1nc(N2CCCC2)nc(N(C)Cc2ccsc2)[nH+]1 ZINC000129077860 196017455 /nfs/dbraw/zinc/01/74/55/196017455.db2.gz OXPKIQMWMFFQHY-UHFFFAOYSA-N 1 2 304.423 2.211 10 0 DEAELO CCc1nnc([C@H]2C[N@H+](Cc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000129110207 196020264 /nfs/dbraw/zinc/02/02/64/196020264.db2.gz OYGLRHHYVJUPTA-CQSZACIVSA-N 1 2 304.369 2.388 10 0 DEAELO CCc1nnc([C@H]2C[N@@H+](Cc3ccc(F)c(C)c3)CCO2)[nH]1 ZINC000129110207 196020266 /nfs/dbraw/zinc/02/02/66/196020266.db2.gz OYGLRHHYVJUPTA-CQSZACIVSA-N 1 2 304.369 2.388 10 0 DEAELO COc1ccc(C(N)=S)cc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000130597741 196094026 /nfs/dbraw/zinc/09/40/26/196094026.db2.gz VXMFWNIOODZXQQ-ZFWWWQNUSA-N 1 2 306.431 2.083 10 0 DEAELO COc1ccc(C(N)=S)cc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000130597741 196094027 /nfs/dbraw/zinc/09/40/27/196094027.db2.gz VXMFWNIOODZXQQ-ZFWWWQNUSA-N 1 2 306.431 2.083 10 0 DEAELO CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CC[NH+](CCO)CC2)cc1 ZINC000132079357 196224896 /nfs/dbraw/zinc/22/48/96/196224896.db2.gz BLDHTUUFGIJZPM-ZWKOTPCHSA-N 1 2 316.445 2.050 10 0 DEAELO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1nc2c(cnn2C)c(Cl)n1 ZINC000132539311 196263155 /nfs/dbraw/zinc/26/31/55/196263155.db2.gz BSXNVQNBQDRQIL-BDAKNGLRSA-N 1 2 311.842 2.343 10 0 DEAELO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1nc2c(cnn2C)c(Cl)n1 ZINC000132539311 196263157 /nfs/dbraw/zinc/26/31/57/196263157.db2.gz BSXNVQNBQDRQIL-BDAKNGLRSA-N 1 2 311.842 2.343 10 0 DEAELO CCC[C@H](C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)[NH+](C)C ZINC000132557640 196265445 /nfs/dbraw/zinc/26/54/45/196265445.db2.gz IUCKICSFINTWMM-CYBMUJFWSA-N 1 2 312.435 2.067 10 0 DEAELO C[C@H](C(=O)Nc1cccc(-c2ncon2)c1)[NH+]1CCSCC1 ZINC000132598495 196269194 /nfs/dbraw/zinc/26/91/94/196269194.db2.gz VOHQLGCRDGFFII-LLVKDONJSA-N 1 2 318.402 2.112 10 0 DEAELO CCn1ncc(Br)c1[C@H](O)c1c[nH+]cn1C1CC1 ZINC000132700194 196276949 /nfs/dbraw/zinc/27/69/49/196276949.db2.gz AOIFFNOVTVNVNK-GFCCVEGCSA-N 1 2 311.183 2.279 10 0 DEAELO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(=O)Nc1ccccc1C(N)=S ZINC000132755939 196280682 /nfs/dbraw/zinc/28/06/82/196280682.db2.gz 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C[NH2+][C@]1(C(=O)OC)CC[C@H](Sc2nc(C)c(C)c(C)n2)C1 ZINC000093854166 193319822 /nfs/dbraw/zinc/31/98/22/193319822.db2.gz KUOKLSXANGWIPF-SWLSCSKDSA-N 1 2 309.435 2.178 10 0 DEAELO CN(C[C@@H]1CCCN1c1cccnn1)c1cc[nH+]c(C2CC2)n1 ZINC000264687470 204079553 /nfs/dbraw/zinc/07/95/53/204079553.db2.gz BMGXVTWUERCDNG-AWEZNQCLSA-N 1 2 310.405 2.249 10 0 DEAELO O=C(N[C@H]1Cc2ccccc2[C@@H]1O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000178320122 284263779 /nfs/dbraw/zinc/26/37/79/284263779.db2.gz WKLIJWSRGMNKCG-ROUUACIJSA-N 1 2 319.364 2.260 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@]1(C)CCCOC1)C2 ZINC000530292629 284397416 /nfs/dbraw/zinc/39/74/16/284397416.db2.gz NLQCRAWXPZDRMI-YVEFUNNKSA-N 1 2 305.422 2.323 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@]1(C)CCCOC1)CC2 ZINC000530292629 284397421 /nfs/dbraw/zinc/39/74/21/284397421.db2.gz NLQCRAWXPZDRMI-YVEFUNNKSA-N 1 2 305.422 2.323 10 0 DEAELO COC(C)(C)C(=O)NCc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000283020486 217392329 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DEAELO c1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)n(CC2CCC2)n1 ZINC000638169539 406604233 /nfs/dbraw/zinc/60/42/33/406604233.db2.gz FHOJEZWVOXMSME-SJORKVTESA-N 1 2 305.422 2.063 10 0 DEAELO c1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)n(CC2CCC2)n1 ZINC000638169539 406604237 /nfs/dbraw/zinc/60/42/37/406604237.db2.gz FHOJEZWVOXMSME-SJORKVTESA-N 1 2 305.422 2.063 10 0 DEAELO CC(C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000552741353 406719570 /nfs/dbraw/zinc/71/95/70/406719570.db2.gz ABPNFERSGJEHES-ZDUSSCGKSA-N 1 2 314.389 2.167 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](CO)CC1CCC1)C2 ZINC000552759437 406721333 /nfs/dbraw/zinc/72/13/33/406721333.db2.gz DLYKFNWYOLSMAP-KBPBESRZSA-N 1 2 319.449 2.305 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](CO)CC1CCC1)CC2 ZINC000552759437 406721336 /nfs/dbraw/zinc/72/13/36/406721336.db2.gz DLYKFNWYOLSMAP-KBPBESRZSA-N 1 2 319.449 2.305 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CCCOC1)C2 ZINC000552849158 406725157 /nfs/dbraw/zinc/72/51/57/406725157.db2.gz IUPNZLNUKSCYGW-CHWSQXEVSA-N 1 2 305.422 2.275 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CCCOC1)CC2 ZINC000552849158 406725161 /nfs/dbraw/zinc/72/51/61/406725161.db2.gz IUPNZLNUKSCYGW-CHWSQXEVSA-N 1 2 305.422 2.275 10 0 DEAELO CNc1nc(-n2ccnc2)nc(N[C@@H](C)c2cccs2)[nH+]1 ZINC000129128418 196022023 /nfs/dbraw/zinc/02/20/23/196022023.db2.gz ZSDQVRSMICRWSZ-VIFPVBQESA-N 1 2 301.379 2.334 10 0 DEAELO CCCNc1nc(NC(C)(C)CO)c(Br)c[nH+]1 ZINC000129193603 196027396 /nfs/dbraw/zinc/02/73/96/196027396.db2.gz QKOXQGVOLHOKPJ-UHFFFAOYSA-N 1 2 303.204 2.244 10 0 DEAELO CCN(CC)CC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000129882781 196083296 /nfs/dbraw/zinc/08/32/96/196083296.db2.gz IPSDZEROHHDQRX-UHFFFAOYSA-N 1 2 318.870 2.175 10 0 DEAELO CC[NH2+][C@]1(C(=O)OC)CC[C@@H](Sc2nc(C)ns2)C1 ZINC000130509408 196086100 /nfs/dbraw/zinc/08/61/00/196086100.db2.gz PHDJSSDMEWCRQL-BXKDBHETSA-N 1 2 301.437 2.012 10 0 DEAELO Cn1cc([C@H]([NH3+])c2nc(-c3ccc(F)c(Cl)c3)no2)cn1 ZINC000131007205 196132039 /nfs/dbraw/zinc/13/20/39/196132039.db2.gz WJBFPRPPCNZSOO-NSHDSACASA-N 1 2 307.716 2.311 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000131090865 196138918 /nfs/dbraw/zinc/13/89/18/196138918.db2.gz AQIYFNMBNMMEJI-OAHLLOKOSA-N 1 2 317.364 2.298 10 0 DEAELO CC(C)(C)[N@H+](CC(N)=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000131250126 196154478 /nfs/dbraw/zinc/15/44/78/196154478.db2.gz SPHUDQWTOXPCLC-UHFFFAOYSA-N 1 2 304.369 2.097 10 0 DEAELO CC(C)(C)[N@@H+](CC(N)=O)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000131250126 196154480 /nfs/dbraw/zinc/15/44/80/196154480.db2.gz SPHUDQWTOXPCLC-UHFFFAOYSA-N 1 2 304.369 2.097 10 0 DEAELO O=C(Nc1cc(Cl)ccc1Br)[C@H]1COCC[NH2+]1 ZINC000131673663 196190019 /nfs/dbraw/zinc/19/00/19/196190019.db2.gz YVWZBJVKFPQLPB-SNVBAGLBSA-N 1 2 319.586 2.029 10 0 DEAELO CCCNc1nc(N2CCC(CC(N)=O)CC2)c(Cl)c[nH+]1 ZINC000132081187 196224908 /nfs/dbraw/zinc/22/49/08/196224908.db2.gz AZNHNWNAAFVTKM-UHFFFAOYSA-N 1 2 311.817 2.044 10 0 DEAELO COc1cc(N)ccc1NC(=O)C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000132257759 196240208 /nfs/dbraw/zinc/24/02/08/196240208.db2.gz MLJPIOYHBFOMTK-WDEREUQCSA-N 1 2 309.435 2.042 10 0 DEAELO COc1cc(N)ccc1NC(=O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000132257759 196240210 /nfs/dbraw/zinc/24/02/10/196240210.db2.gz MLJPIOYHBFOMTK-WDEREUQCSA-N 1 2 309.435 2.042 10 0 DEAELO Cn1cc[nH+]c1[C@@H](NN)c1cc(Br)ccc1Cl ZINC000133814613 196338475 /nfs/dbraw/zinc/33/84/75/196338475.db2.gz LUNFPVOFBGYGKR-JTQLQIEISA-N 1 2 315.602 2.389 10 0 DEAELO CCn1cc[nH+]c1[C@@H](NN)c1csc(Br)c1 ZINC000133935710 196346642 /nfs/dbraw/zinc/34/66/42/196346642.db2.gz ZXFTTXVXDKZFRG-VIFPVBQESA-N 1 2 301.213 2.280 10 0 DEAELO CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC(=O)OC(C)(C)C)CC1 ZINC000134206618 196370302 /nfs/dbraw/zinc/37/03/02/196370302.db2.gz XTIDHTYQJCJBDO-CYBMUJFWSA-N 1 2 312.454 2.201 10 0 DEAELO C[C@](CO)(Nc1nc(N)[nH+]cc1Br)c1ccccc1 ZINC000134485561 196395866 /nfs/dbraw/zinc/39/58/66/196395866.db2.gz SCSKZUPFFMGPIG-CYBMUJFWSA-N 1 2 323.194 2.141 10 0 DEAELO C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000194332187 225179076 /nfs/dbraw/zinc/17/90/76/225179076.db2.gz PFUKPOKCLKXTRM-PBHICJAKSA-N 1 2 318.417 2.130 10 0 DEAELO CCOc1ccc(OCCn2ncc3c2nc[nH+]c3NC)cc1 ZINC000194428777 225181383 /nfs/dbraw/zinc/18/13/83/225181383.db2.gz KKXWDPPCHOAOEJ-UHFFFAOYSA-N 1 2 313.361 2.346 10 0 DEAELO COC(=O)[C@H](C)C[N@H+](Cc1nccn1C)Cc1ccccc1 ZINC000195515496 424883485 /nfs/dbraw/zinc/88/34/85/424883485.db2.gz DDMMYYZBFZCJGB-CQSZACIVSA-N 1 2 301.390 2.231 10 0 DEAELO COC(=O)[C@H](C)C[N@@H+](Cc1nccn1C)Cc1ccccc1 ZINC000195515496 424883489 /nfs/dbraw/zinc/88/34/89/424883489.db2.gz DDMMYYZBFZCJGB-CQSZACIVSA-N 1 2 301.390 2.231 10 0 DEAELO C[C@@H]1C[C@H](N2C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3C2=O)c2[nH+]ccn21 ZINC000333926524 269004711 /nfs/dbraw/zinc/00/47/11/269004711.db2.gz VMHPDALTZOPGCM-QMVSFRDZSA-N 1 2 314.389 2.484 10 0 DEAELO Cc1ncccc1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000505226987 269309407 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C[C@H](C(=O)NCCCCNc1cccc[nH+]1)C1CCOCC1 ZINC000131438943 281963537 /nfs/dbraw/zinc/96/35/37/281963537.db2.gz MCMZLNORIYIENN-AWEZNQCLSA-N 1 2 305.422 2.453 10 0 DEAELO C[C@@H]1C[C@H](C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CO1 ZINC000408300416 288631412 /nfs/dbraw/zinc/63/14/12/288631412.db2.gz ZEIKILGVJLDUMW-AGIUHOORSA-N 1 2 305.422 2.037 10 0 DEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCOC3(CCCCC3)C1)C2 ZINC000408514181 293399959 /nfs/dbraw/zinc/39/99/59/293399959.db2.gz ZFFNXVOLYQWDRL-AWEZNQCLSA-N 1 2 317.433 2.385 10 0 DEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCOC3(CCCCC3)C1)CC2 ZINC000408514181 293399962 /nfs/dbraw/zinc/39/99/62/293399962.db2.gz ZFFNXVOLYQWDRL-AWEZNQCLSA-N 1 2 317.433 2.385 10 0 DEAELO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000121984175 298250999 /nfs/dbraw/zinc/25/09/99/298250999.db2.gz CANQRHOOADKKOA-COXVUDFISA-N 1 2 306.450 2.419 10 0 DEAELO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21)C1CC1 ZINC000121984175 298251003 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C[C@H]1C[NH+](Cc2nc3c(cnn3C)c(Cl)n2)C[C@H](C)S1 ZINC000070383160 190883556 /nfs/dbraw/zinc/88/35/56/190883556.db2.gz LENQLZZKNMOLHN-IUCAKERBSA-N 1 2 311.842 2.343 10 0 DEAELO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1COCC[N@@H+]1CCO ZINC000616640149 362902277 /nfs/dbraw/zinc/90/22/77/362902277.db2.gz DQYXHNHMVZIJLZ-HNNXBMFYSA-N 1 2 322.405 2.399 10 0 DEAELO CC(C)(C)OC(=O)Nc1ccccc1[C@@H]1COCC[N@H+]1CCO ZINC000616640149 362902280 /nfs/dbraw/zinc/90/22/80/362902280.db2.gz DQYXHNHMVZIJLZ-HNNXBMFYSA-N 1 2 322.405 2.399 10 0 DEAELO CCc1nn(C)cc1C[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000179975174 539643549 /nfs/dbraw/zinc/64/35/49/539643549.db2.gz KCCQHWPUWNECCK-CQSZACIVSA-N 1 2 306.435 2.321 10 0 DEAELO CCc1nn(C)cc1C[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000179975174 539643552 /nfs/dbraw/zinc/64/35/52/539643552.db2.gz KCCQHWPUWNECCK-CQSZACIVSA-N 1 2 306.435 2.321 10 0 DEAELO Cc1nnc([C@H]2C[N@H+](Cc3cccc4cnccc43)CCO2)[nH]1 ZINC000183387735 539662172 /nfs/dbraw/zinc/66/21/72/539662172.db2.gz TVFJPRUQBSMTST-MRXNPFEDSA-N 1 2 309.373 2.235 10 0 DEAELO Cc1nnc([C@H]2C[N@@H+](Cc3cccc4cnccc43)CCO2)[nH]1 ZINC000183387735 539662178 /nfs/dbraw/zinc/66/21/78/539662178.db2.gz TVFJPRUQBSMTST-MRXNPFEDSA-N 1 2 309.373 2.235 10 0 DEAELO Cc1nc([C@H]2C[N@H+](Cc3cccc4cnccc43)CCO2)n[nH]1 ZINC000183387735 539662182 /nfs/dbraw/zinc/66/21/82/539662182.db2.gz TVFJPRUQBSMTST-MRXNPFEDSA-N 1 2 309.373 2.235 10 0 DEAELO Cc1nc([C@H]2C[N@@H+](Cc3cccc4cnccc43)CCO2)n[nH]1 ZINC000183387735 539662184 /nfs/dbraw/zinc/66/21/84/539662184.db2.gz TVFJPRUQBSMTST-MRXNPFEDSA-N 1 2 309.373 2.235 10 0 DEAELO CCc1ccccc1S(=O)(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188149777 539681183 /nfs/dbraw/zinc/68/11/83/539681183.db2.gz NXVLQKIAPDGQDG-HNNXBMFYSA-N 1 2 319.430 2.299 10 0 DEAELO CC(C)S(=O)(=O)CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190973033 535093419 /nfs/dbraw/zinc/09/34/19/535093419.db2.gz WGMVTVPYQUWJPM-UHFFFAOYSA-N 1 2 303.468 2.233 10 0 DEAELO CC(C)S(=O)(=O)CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190973033 535093421 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/nfs/dbraw/zinc/38/98/65/402389865.db2.gz WDHFWQOKDBMXHY-CYBMUJFWSA-N 1 2 302.378 2.131 10 0 DEAELO CCn1cc[nH+]c1CS(=O)(=O)c1nc2ccccc2s1 ZINC000177311444 402390008 /nfs/dbraw/zinc/39/00/08/402390008.db2.gz XMTRUPCPHRPDGP-UHFFFAOYSA-N 1 2 307.400 2.487 10 0 DEAELO CCn1c(C[N@@H+]2CCCC[C@]2(C)C(N)=O)nc2cc(F)ccc21 ZINC000185952229 402392407 /nfs/dbraw/zinc/39/24/07/402392407.db2.gz VADDRLBSGUAXLS-QGZVFWFLSA-N 1 2 318.396 2.425 10 0 DEAELO CCn1c(C[N@H+]2CCCC[C@]2(C)C(N)=O)nc2cc(F)ccc21 ZINC000185952229 402392409 /nfs/dbraw/zinc/39/24/09/402392409.db2.gz VADDRLBSGUAXLS-QGZVFWFLSA-N 1 2 318.396 2.425 10 0 DEAELO CCOC(=O)[C@@H](CC)[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245611949 402474295 /nfs/dbraw/zinc/47/42/95/402474295.db2.gz LPKFRGSQJMFTNZ-TZMCWYRMSA-N 1 2 306.410 2.134 10 0 DEAELO CCOC(=O)[C@@H](CC)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000245611949 402474298 /nfs/dbraw/zinc/47/42/98/402474298.db2.gz LPKFRGSQJMFTNZ-TZMCWYRMSA-N 1 2 306.410 2.134 10 0 DEAELO CCCOCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245684281 402479343 /nfs/dbraw/zinc/47/93/43/402479343.db2.gz NGMWSGGSSHANLU-HOCLYGCPSA-N 1 2 312.360 2.253 10 0 DEAELO CCCOCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245684281 402479344 /nfs/dbraw/zinc/47/93/44/402479344.db2.gz NGMWSGGSSHANLU-HOCLYGCPSA-N 1 2 312.360 2.253 10 0 DEAELO CC(C)[C@H](C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171152726 402561696 /nfs/dbraw/zinc/56/16/96/402561696.db2.gz MLVWYGBKUXOWQI-ZDUSSCGKSA-N 1 2 310.467 2.405 10 0 DEAELO CC(C)[C@H](C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171152726 402561699 /nfs/dbraw/zinc/56/16/99/402561699.db2.gz MLVWYGBKUXOWQI-ZDUSSCGKSA-N 1 2 310.467 2.405 10 0 DEAELO COCC[N@@H+]1CCN(C(=O)[C@@H](SC)c2ccccc2)C[C@H]1C ZINC000246249755 402520500 /nfs/dbraw/zinc/52/05/00/402520500.db2.gz WEIQMLCHRXYPMO-ZBFHGGJFSA-N 1 2 322.474 2.270 10 0 DEAELO COCC[N@H+]1CCN(C(=O)[C@@H](SC)c2ccccc2)C[C@H]1C ZINC000246249755 402520502 /nfs/dbraw/zinc/52/05/02/402520502.db2.gz WEIQMLCHRXYPMO-ZBFHGGJFSA-N 1 2 322.474 2.270 10 0 DEAELO CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000170839134 402532199 /nfs/dbraw/zinc/53/21/99/402532199.db2.gz LRLKQIMSZUONFN-DOTOQJQBSA-N 1 2 319.449 2.028 10 0 DEAELO COc1ccc(C[N@@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162664 402580044 /nfs/dbraw/zinc/58/00/44/402580044.db2.gz WIVLADYBTLBLGR-HUUCEWRRSA-N 1 2 303.362 2.349 10 0 DEAELO COc1ccc(C[N@H+]2C[C@H](OC)C[C@@H]2c2nc(C)no2)cc1 ZINC000190162664 402580046 /nfs/dbraw/zinc/58/00/46/402580046.db2.gz WIVLADYBTLBLGR-HUUCEWRRSA-N 1 2 303.362 2.349 10 0 DEAELO CC(C)(C)OC(=O)c1cccc(C(=O)NCCc2[nH]cc[nH+]2)c1 ZINC000179558903 402594626 /nfs/dbraw/zinc/59/46/26/402594626.db2.gz CDHTYMBSLSHNSO-UHFFFAOYSA-N 1 2 315.373 2.338 10 0 DEAELO O=C(c1cc(C2CC2)[nH]n1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171625619 402602585 /nfs/dbraw/zinc/60/25/85/402602585.db2.gz UUWPZWDMTDOKAH-AWEZNQCLSA-N 1 2 302.422 2.378 10 0 DEAELO CCCn1cc(C[N@@H+]2CCN(CC(F)F)[C@H](CC)C2)cn1 ZINC000180029603 402605774 /nfs/dbraw/zinc/60/57/74/402605774.db2.gz BNEZKVRUUBGTTJ-CQSZACIVSA-N 1 2 300.397 2.454 10 0 DEAELO CCCn1cc(C[N@H+]2CCN(CC(F)F)[C@H](CC)C2)cn1 ZINC000180029603 402605776 /nfs/dbraw/zinc/60/57/76/402605776.db2.gz BNEZKVRUUBGTTJ-CQSZACIVSA-N 1 2 300.397 2.454 10 0 DEAELO CCn1c(C)nnc1C[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190504957 402606481 /nfs/dbraw/zinc/60/64/81/402606481.db2.gz JSXHZKJGECZUCZ-UHFFFAOYSA-N 1 2 319.384 2.184 10 0 DEAELO CCCn1c(C(=O)NC[C@H]2C[N@H+](C)CCO2)cc2ccccc21 ZINC000190670020 402617167 /nfs/dbraw/zinc/61/71/67/402617167.db2.gz SJFAJNZWVQJTIT-HNNXBMFYSA-N 1 2 315.417 2.112 10 0 DEAELO CCCn1c(C(=O)NC[C@H]2C[N@@H+](C)CCO2)cc2ccccc21 ZINC000190670020 402617168 /nfs/dbraw/zinc/61/71/68/402617168.db2.gz SJFAJNZWVQJTIT-HNNXBMFYSA-N 1 2 315.417 2.112 10 0 DEAELO Cc1nc([C@H]2C[N@H+](CCCc3cccc(C)c3)CCO2)n[nH]1 ZINC000181122295 402635766 /nfs/dbraw/zinc/63/57/66/402635766.db2.gz FRYFASVUYWVCFA-MRXNPFEDSA-N 1 2 300.406 2.428 10 0 DEAELO Cc1nc([C@H]2C[N@@H+](CCCc3cccc(C)c3)CCO2)n[nH]1 ZINC000181122295 402635767 /nfs/dbraw/zinc/63/57/67/402635767.db2.gz FRYFASVUYWVCFA-MRXNPFEDSA-N 1 2 300.406 2.428 10 0 DEAELO C[C@@H]1CCC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC1 ZINC000190961262 402633447 /nfs/dbraw/zinc/63/34/47/402633447.db2.gz NDEZARQDFVXJOZ-OAGGEKHMSA-N 1 2 309.454 2.071 10 0 DEAELO Cn1c(C[NH+]2CCC(Cn3cccn3)CC2)nnc1C1CCC1 ZINC000181302189 402640209 /nfs/dbraw/zinc/64/02/09/402640209.db2.gz ALEXBGFGRKWWNT-UHFFFAOYSA-N 1 2 314.437 2.191 10 0 DEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000191297939 402658576 /nfs/dbraw/zinc/65/85/76/402658576.db2.gz LUAZBFIXULJTOS-OAHLLOKOSA-N 1 2 314.437 2.451 10 0 DEAELO CC(C)[C@H](C)CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000172506165 402659390 /nfs/dbraw/zinc/65/93/90/402659390.db2.gz QHZGBEFTTLPYEZ-OAHLLOKOSA-N 1 2 304.438 2.201 10 0 DEAELO Cc1ccccc1CNC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000251168349 402647142 /nfs/dbraw/zinc/64/71/42/402647142.db2.gz ODISXHLMYXFFCN-SJORKVTESA-N 1 2 302.418 2.255 10 0 DEAELO Cc1ccccc1CNC(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000251168349 402647146 /nfs/dbraw/zinc/64/71/46/402647146.db2.gz ODISXHLMYXFFCN-SJORKVTESA-N 1 2 302.418 2.255 10 0 DEAELO c1coc(-c2nc(C[N@@H+]3CC[C@@H](N4CCOCC4)C3)cs2)c1 ZINC000173951202 402721176 /nfs/dbraw/zinc/72/11/76/402721176.db2.gz FXCLLAWQPCFTQB-CQSZACIVSA-N 1 2 319.430 2.310 10 0 DEAELO c1coc(-c2nc(C[N@H+]3CC[C@@H](N4CCOCC4)C3)cs2)c1 ZINC000173951202 402721177 /nfs/dbraw/zinc/72/11/77/402721177.db2.gz FXCLLAWQPCFTQB-CQSZACIVSA-N 1 2 319.430 2.310 10 0 DEAELO c1coc(-c2nc(CN3CC[C@@H]([NH+]4CCOCC4)C3)cs2)c1 ZINC000173951202 402721179 /nfs/dbraw/zinc/72/11/79/402721179.db2.gz FXCLLAWQPCFTQB-CQSZACIVSA-N 1 2 319.430 2.310 10 0 DEAELO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000173728466 402710172 /nfs/dbraw/zinc/71/01/72/402710172.db2.gz OILVFIBJHNVISZ-CYBMUJFWSA-N 1 2 323.393 2.184 10 0 DEAELO CCCCCC[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173770629 402711622 /nfs/dbraw/zinc/71/16/22/402711622.db2.gz BRQHNPAROLFAEA-JKSUJKDBSA-N 1 2 311.470 2.461 10 0 DEAELO CC(C)CCC[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173770392 402711672 /nfs/dbraw/zinc/71/16/72/402711672.db2.gz CQMIHKIIHJNQBA-HZPDHXFCSA-N 1 2 311.470 2.317 10 0 DEAELO CC(C)(C)CCCCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173819306 402713876 /nfs/dbraw/zinc/71/38/76/402713876.db2.gz UFCCBGTWCSMYSU-HNNXBMFYSA-N 1 2 311.470 2.319 10 0 DEAELO CN1C(=O)C[C@@H]([NH2+]Cc2ncccn2)[C@H]1c1ccc(Cl)cc1 ZINC000192157479 402715187 /nfs/dbraw/zinc/71/51/87/402715187.db2.gz HSUNDICBJJROCW-CZUORRHYSA-N 1 2 316.792 2.192 10 0 DEAELO CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1)C1CCC1 ZINC000173900669 402718156 /nfs/dbraw/zinc/71/81/56/402718156.db2.gz WDKDRPOXPGRQKQ-QGZVFWFLSA-N 1 2 317.433 2.254 10 0 DEAELO CCc1cc(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)ccc1C ZINC000182001529 402663500 /nfs/dbraw/zinc/66/35/00/402663500.db2.gz GJMXKMVFSUFDRR-QGZVFWFLSA-N 1 2 317.433 2.496 10 0 DEAELO CC[C@@H]1c2[nH+]ccn2CCCN1C(=O)CCn1nc(C)cc1C ZINC000253411351 402663938 /nfs/dbraw/zinc/66/39/38/402663938.db2.gz ONHSQMHOBCFRPG-OAHLLOKOSA-N 1 2 315.421 2.470 10 0 DEAELO CCOC1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000173448739 402697681 /nfs/dbraw/zinc/69/76/81/402697681.db2.gz DBFDLRYAHULPDR-UHFFFAOYSA-N 1 2 308.426 2.250 10 0 DEAELO C[C@@](O)(CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000182565813 402700027 /nfs/dbraw/zinc/70/00/27/402700027.db2.gz HCEKKEUIZFUTCV-SJLPKXTDSA-N 1 2 313.401 2.172 10 0 DEAELO C[C@H](C[NH+]1CCOCC1)N(Cc1cocn1)Cc1ccccc1 ZINC000191940426 402700369 /nfs/dbraw/zinc/70/03/69/402700369.db2.gz VTXUSXZBBXCGSI-MRXNPFEDSA-N 1 2 315.417 2.398 10 0 DEAELO C[C@H](CN1CCOCC1)[N@H+](Cc1cocn1)Cc1ccccc1 ZINC000191940426 402700370 /nfs/dbraw/zinc/70/03/70/402700370.db2.gz VTXUSXZBBXCGSI-MRXNPFEDSA-N 1 2 315.417 2.398 10 0 DEAELO C[C@H](CN1CCOCC1)[N@@H+](Cc1cocn1)Cc1ccccc1 ZINC000191940426 402700371 /nfs/dbraw/zinc/70/03/71/402700371.db2.gz VTXUSXZBBXCGSI-MRXNPFEDSA-N 1 2 315.417 2.398 10 0 DEAELO CC(C)(C)OC[C@H](O)C[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000174249125 402733763 /nfs/dbraw/zinc/73/37/63/402733763.db2.gz WBTQMDJYPCSEHH-CYBMUJFWSA-N 1 2 323.437 2.482 10 0 DEAELO Cc1nc(C(F)(F)F)c(C[NH+]2CCC(NC(N)=O)CC2)s1 ZINC000183603906 402780514 /nfs/dbraw/zinc/78/05/14/402780514.db2.gz RBTBTIOAHRGSAI-UHFFFAOYSA-N 1 2 322.356 2.103 10 0 DEAELO Cc1ccc(OC2CC[NH+](Cc3nc(N(C)C)no3)CC2)cc1 ZINC000192722361 402746273 /nfs/dbraw/zinc/74/62/73/402746273.db2.gz LJQCZBZBACJIMW-UHFFFAOYSA-N 1 2 316.405 2.487 10 0 DEAELO O=C(Cc1ccc(Br)s1)NCCc1[nH]cc[nH+]1 ZINC000174757390 402755628 /nfs/dbraw/zinc/75/56/28/402755628.db2.gz YQFBJBVXWRKVLX-UHFFFAOYSA-N 1 2 314.208 2.135 10 0 DEAELO COC[C@@H](C)N(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000193128162 402765966 /nfs/dbraw/zinc/76/59/66/402765966.db2.gz ZJUXCCQXXOZSEV-CQSZACIVSA-N 1 2 320.437 2.248 10 0 DEAELO C[C@H](NC(=O)NCCn1cccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174952914 402766289 /nfs/dbraw/zinc/76/62/89/402766289.db2.gz XFLHTCQKGZOELO-AWEZNQCLSA-N 1 2 324.388 2.129 10 0 DEAELO C[C@@H](CNC(=O)NCCCCC1CCCC1)[NH+]1CCOCC1 ZINC000175004873 402770617 /nfs/dbraw/zinc/77/06/17/402770617.db2.gz CAAAQTYZWCRACD-HNNXBMFYSA-N 1 2 311.470 2.367 10 0 DEAELO C[C@H](NC(=O)c1cncc(O)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175053029 402774803 /nfs/dbraw/zinc/77/48/03/402774803.db2.gz ASHUDNFPFDYUKX-LBPRGKRZSA-N 1 2 308.341 2.464 10 0 DEAELO C[C@H](NC(=O)c1ncccc1O)c1cccc(-n2cc[nH+]c2)c1 ZINC000175053695 402774956 /nfs/dbraw/zinc/77/49/56/402774956.db2.gz PLGIWPLKQGSPLN-LBPRGKRZSA-N 1 2 308.341 2.464 10 0 DEAELO CN(C)c1cc[nH+]cc1C(=O)NCc1nc2ccc(F)cc2[nH]1 ZINC000183594038 402779962 /nfs/dbraw/zinc/77/99/62/402779962.db2.gz IHPVFAPDOVVOAH-UHFFFAOYSA-N 1 2 313.336 2.093 10 0 DEAELO C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC000194633656 402806811 /nfs/dbraw/zinc/80/68/11/402806811.db2.gz YZQPSGQHMKZSHI-VIFPVBQESA-N 1 2 303.189 2.054 10 0 DEAELO C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2Cl)C1 ZINC000194633656 402806812 /nfs/dbraw/zinc/80/68/12/402806812.db2.gz YZQPSGQHMKZSHI-VIFPVBQESA-N 1 2 303.189 2.054 10 0 DEAELO Cc1csc([C@@H]2CCC[N@@H+](Cc3nnnn3C(C)C)C2)n1 ZINC000195339553 402842882 /nfs/dbraw/zinc/84/28/82/402842882.db2.gz NKUDLXWKOHRYNV-GFCCVEGCSA-N 1 2 306.439 2.399 10 0 DEAELO Cc1csc([C@@H]2CCC[N@H+](Cc3nnnn3C(C)C)C2)n1 ZINC000195339553 402842884 /nfs/dbraw/zinc/84/28/84/402842884.db2.gz NKUDLXWKOHRYNV-GFCCVEGCSA-N 1 2 306.439 2.399 10 0 DEAELO CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195339357 402842952 /nfs/dbraw/zinc/84/29/52/402842952.db2.gz KMDXTVMPHKORJS-ZDUSSCGKSA-N 1 2 316.492 2.456 10 0 DEAELO CCCS(=O)(=O)CC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195339357 402842953 /nfs/dbraw/zinc/84/29/53/402842953.db2.gz KMDXTVMPHKORJS-ZDUSSCGKSA-N 1 2 316.492 2.456 10 0 DEAELO CCn1cc(NC(=O)NCc2[nH+]ccn2CC(C)C)ccc1=O ZINC000175459233 402808288 /nfs/dbraw/zinc/80/82/88/402808288.db2.gz KTXZTWNEUPJTII-UHFFFAOYSA-N 1 2 317.393 2.042 10 0 DEAELO CC(C)Cn1cc[nH+]c1CNC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000175478035 402810107 /nfs/dbraw/zinc/81/01/07/402810107.db2.gz KJOFTGPGIRNJIY-CQSZACIVSA-N 1 2 320.437 2.250 10 0 DEAELO COc1cc[nH+]cc1NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000194737454 402813491 /nfs/dbraw/zinc/81/34/91/402813491.db2.gz MCEOWFJLMWBORF-UHFFFAOYSA-N 1 2 314.341 2.433 10 0 DEAELO O=C(N[C@H]1COc2ccccc21)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263932106 402822238 /nfs/dbraw/zinc/82/22/38/402822238.db2.gz CKNOECCKVDUQHF-JSGCOSHPSA-N 1 2 312.373 2.432 10 0 DEAELO CCCCCOCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000194937700 402823548 /nfs/dbraw/zinc/82/35/48/402823548.db2.gz SFNIZTUPZBPAMG-UHFFFAOYSA-N 1 2 302.378 2.090 10 0 DEAELO C[C@H](CCNc1[nH+]cnc2c1cnn2C)NC(=O)OC(C)(C)C ZINC000194979392 402825063 /nfs/dbraw/zinc/82/50/63/402825063.db2.gz FOMSGXUMWAQBKD-SNVBAGLBSA-N 1 2 320.397 2.079 10 0 DEAELO CO[C@@H](C)c1nc(C)c(C(=O)NCCCn2cc[nH+]c2)s1 ZINC000175683972 402825156 /nfs/dbraw/zinc/82/51/56/402825156.db2.gz GRIPUMFZOQJXGW-NSHDSACASA-N 1 2 308.407 2.176 10 0 DEAELO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000184447618 402844365 /nfs/dbraw/zinc/84/43/65/402844365.db2.gz SZXCZKVROLDTHN-ZDUSSCGKSA-N 1 2 320.437 2.246 10 0 DEAELO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C)C1 ZINC000184447618 402844367 /nfs/dbraw/zinc/84/43/67/402844367.db2.gz SZXCZKVROLDTHN-ZDUSSCGKSA-N 1 2 320.437 2.246 10 0 DEAELO CN(CC1CCCC1)C(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000195274772 402840004 /nfs/dbraw/zinc/84/00/04/402840004.db2.gz LWQJFPHKSRFFPI-UHFFFAOYSA-N 1 2 318.465 2.281 10 0 DEAELO CCc1ccc(-c2noc(C[NH2+][C@H](C(=O)NC)C(C)C)n2)cc1 ZINC000183646733 402785315 /nfs/dbraw/zinc/78/53/15/402785315.db2.gz QAKAQOCYILUMQH-HNNXBMFYSA-N 1 2 316.405 2.159 10 0 DEAELO C[C@@H]1COCC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000194144610 402785711 /nfs/dbraw/zinc/78/57/11/402785711.db2.gz RORRUKWKFXQAFZ-OCCSQVGLSA-N 1 2 317.364 2.300 10 0 DEAELO Cc1nnc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)n1C1CC1 ZINC000184455847 402845296 /nfs/dbraw/zinc/84/52/96/402845296.db2.gz 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/nfs/dbraw/zinc/05/37/67/145053767.db2.gz CVNXQJJSOXARIE-UHFFFAOYSA-N 1 2 300.761 2.022 10 0 DEAELO CN1CCC[N@@H+](CCOc2ccc(F)cc2Cl)CC1=O ZINC000191124687 145053768 /nfs/dbraw/zinc/05/37/68/145053768.db2.gz CVNXQJJSOXARIE-UHFFFAOYSA-N 1 2 300.761 2.022 10 0 DEAELO C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)C[C@H](CO)O1 ZINC000191767960 145064470 /nfs/dbraw/zinc/06/44/70/145064470.db2.gz QYKKGJWAGKLEOT-CMPLNLGQSA-N 1 2 320.216 2.454 10 0 DEAELO C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)C[C@H](CO)O1 ZINC000191767960 145064471 /nfs/dbraw/zinc/06/44/71/145064471.db2.gz QYKKGJWAGKLEOT-CMPLNLGQSA-N 1 2 320.216 2.454 10 0 DEAELO Cc1ccc(OCC[N@@H+](C)[C@H](C)c2nnnn2C2CC2)cc1 ZINC000191896627 145066759 /nfs/dbraw/zinc/06/67/59/145066759.db2.gz LAHVRSZKUVOFJM-CYBMUJFWSA-N 1 2 301.394 2.388 10 0 DEAELO Cc1ccc(OCC[N@H+](C)[C@H](C)c2nnnn2C2CC2)cc1 ZINC000191896627 145066760 /nfs/dbraw/zinc/06/67/60/145066760.db2.gz LAHVRSZKUVOFJM-CYBMUJFWSA-N 1 2 301.394 2.388 10 0 DEAELO COc1ccccc1CC[N@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000191996118 145068717 /nfs/dbraw/zinc/06/87/17/145068717.db2.gz WNALOKQJXSWCGV-LBPRGKRZSA-N 1 2 301.394 2.252 10 0 DEAELO COc1ccccc1CC[N@@H+](C)[C@@H](C)c1nnnn1C1CC1 ZINC000191996118 145068719 /nfs/dbraw/zinc/06/87/19/145068719.db2.gz WNALOKQJXSWCGV-LBPRGKRZSA-N 1 2 301.394 2.252 10 0 DEAELO Cc1nccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192613489 145076267 /nfs/dbraw/zinc/07/62/67/145076267.db2.gz QHYMBOCNBBKZJC-GXTWGEPZSA-N 1 2 301.394 2.221 10 0 DEAELO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192613489 145076269 /nfs/dbraw/zinc/07/62/69/145076269.db2.gz QHYMBOCNBBKZJC-GXTWGEPZSA-N 1 2 301.394 2.221 10 0 DEAELO Cc1cc(N2CCC[C@@H](c3ccnc(N)n3)C2)nc(C2CC2)[nH+]1 ZINC000193534894 145087054 /nfs/dbraw/zinc/08/70/54/145087054.db2.gz YEWACMSZDJZGHF-CYBMUJFWSA-N 1 2 310.405 2.419 10 0 DEAELO C[C@@H]1CCN(C(=O)C[C@@H](O)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000246314016 145098821 /nfs/dbraw/zinc/09/88/21/145098821.db2.gz DVQRVIPEBGJONW-DJIMGWMZSA-N 1 2 313.401 2.416 10 0 DEAELO c1coc(-c2noc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000246806235 145115153 /nfs/dbraw/zinc/11/51/53/145115153.db2.gz JGXXFUUTLYWYLY-PWSUYJOCSA-N 1 2 307.375 2.036 10 0 DEAELO c1coc(-c2noc(C[N@H+]3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000246806235 145115155 /nfs/dbraw/zinc/11/51/55/145115155.db2.gz JGXXFUUTLYWYLY-PWSUYJOCSA-N 1 2 307.375 2.036 10 0 DEAELO C[C@H](Cc1ccccc1)C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000246850649 145117215 /nfs/dbraw/zinc/11/72/15/145117215.db2.gz DYDXJTFLZMYUON-SOLBZPMBSA-N 1 2 316.445 2.044 10 0 DEAELO C[C@H]([C@H](C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1)[NH+]1CCOCC1 ZINC000247546239 145140972 /nfs/dbraw/zinc/14/09/72/145140972.db2.gz YKPPNAVNNFHHTH-HDEZJCGLSA-N 1 2 308.466 2.428 10 0 DEAELO C[C@@H](C(=O)NCc1cccs1)[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247642899 145142250 /nfs/dbraw/zinc/14/22/50/145142250.db2.gz TXESXBLUAVPWIM-WFASDCNBSA-N 1 2 318.446 2.323 10 0 DEAELO C[C@@H](C(=O)NCc1cccs1)[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000247642899 145142252 /nfs/dbraw/zinc/14/22/52/145142252.db2.gz TXESXBLUAVPWIM-WFASDCNBSA-N 1 2 318.446 2.323 10 0 DEAELO C[C@@H]1C[C@H]1NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000248345056 145151424 /nfs/dbraw/zinc/15/14/24/145151424.db2.gz MISHPJJXHUQVJV-AAVRWANBSA-N 1 2 323.462 2.218 10 0 DEAELO C[C@@H]1C[C@H]1NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000248345056 145151426 /nfs/dbraw/zinc/15/14/26/145151426.db2.gz MISHPJJXHUQVJV-AAVRWANBSA-N 1 2 323.462 2.218 10 0 DEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCCc2occc21 ZINC000248654453 145163369 /nfs/dbraw/zinc/16/33/69/145163369.db2.gz ZRYWXNZOVUIWEJ-LSDHHAIUSA-N 1 2 306.406 2.274 10 0 DEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)N[C@H]1CCCc2occc21 ZINC000248654453 145163371 /nfs/dbraw/zinc/16/33/71/145163371.db2.gz ZRYWXNZOVUIWEJ-LSDHHAIUSA-N 1 2 306.406 2.274 10 0 DEAELO CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)o1 ZINC000248837975 145169242 /nfs/dbraw/zinc/16/92/42/145169242.db2.gz MZDAQCDASOHPNO-WHOFXGATSA-N 1 2 321.373 2.230 10 0 DEAELO CCOC(=O)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)o1 ZINC000248837975 145169243 /nfs/dbraw/zinc/16/92/43/145169243.db2.gz MZDAQCDASOHPNO-WHOFXGATSA-N 1 2 321.373 2.230 10 0 DEAELO c1c[nH]c([C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)c2cccnc2)n1 ZINC000249103896 145179023 /nfs/dbraw/zinc/17/90/23/145179023.db2.gz OVNFVZNPXXWGIV-DOTOQJQBSA-N 1 2 320.400 2.158 10 0 DEAELO O=C(NCc1ccccc1Br)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262732843 145302406 /nfs/dbraw/zinc/30/24/06/145302406.db2.gz BUDBQXQATOCQOG-SNVBAGLBSA-N 1 2 319.149 2.063 10 0 DEAELO COc1ccc(F)cc1[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263010712 145317704 /nfs/dbraw/zinc/31/77/04/145317704.db2.gz PRPILSFLOHPIPV-LDYMZIIASA-N 1 2 302.296 2.009 10 0 DEAELO O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263057574 145321626 /nfs/dbraw/zinc/32/16/26/145321626.db2.gz VBEBOCDRDXKLAL-VIFPVBQESA-N 1 2 310.329 2.141 10 0 DEAELO O=C(NC[C@H]1SCCc2ccccc21)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263069055 145323027 /nfs/dbraw/zinc/32/30/27/145323027.db2.gz WGISQSCEEBMOAP-QWHCGFSZSA-N 1 2 312.385 2.130 10 0 DEAELO Cc1cccc2[nH]cc(CCNC(=O)[C@H]3CC(F)(F)C[NH2+]3)c21 ZINC000263192681 145334982 /nfs/dbraw/zinc/33/49/82/145334982.db2.gz ICYQSQQSEPAXFR-CYBMUJFWSA-N 1 2 307.344 2.132 10 0 DEAELO Cc1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c(OCC2CC2)c1 ZINC000263214421 145337462 /nfs/dbraw/zinc/33/74/62/145337462.db2.gz KQHIDYDRQILZPQ-CQSZACIVSA-N 1 2 324.371 2.397 10 0 DEAELO CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC000565187554 292143258 /nfs/dbraw/zinc/14/32/58/292143258.db2.gz COOHERHTZJNQKS-NSHDSACASA-N 1 2 300.362 2.210 10 0 DEAELO CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC000565187554 292143261 /nfs/dbraw/zinc/14/32/61/292143261.db2.gz COOHERHTZJNQKS-NSHDSACASA-N 1 2 300.362 2.210 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC[C@@]13CCOC3)C2 ZINC000357322197 147087654 /nfs/dbraw/zinc/08/76/54/147087654.db2.gz SMNWYZWOXDUODC-UGSOOPFHSA-N 1 2 317.433 2.420 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@]13CCOC3)CC2 ZINC000357322197 147087656 /nfs/dbraw/zinc/08/76/56/147087656.db2.gz SMNWYZWOXDUODC-UGSOOPFHSA-N 1 2 317.433 2.420 10 0 DEAELO COC(=O)[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)C1CC1 ZINC000358834025 147215625 /nfs/dbraw/zinc/21/56/25/147215625.db2.gz OKEGWPSITVUUMZ-BBRMVZONSA-N 1 2 306.381 2.336 10 0 DEAELO O=C(NCc1ccc2cc[nH]c2n1)C1CC[NH+](CC(F)F)CC1 ZINC000359387037 147319325 /nfs/dbraw/zinc/31/93/25/147319325.db2.gz AMKYFOGIYOFCOO-UHFFFAOYSA-N 1 2 322.359 2.156 10 0 DEAELO COCc1nccc([C@@H]2CCC[N@H+](Cc3cn[nH]c3C)C2)n1 ZINC000371410323 148099475 /nfs/dbraw/zinc/09/94/75/148099475.db2.gz COXBDLJQQRQQTL-CYBMUJFWSA-N 1 2 301.394 2.034 10 0 DEAELO COCc1nccc([C@@H]2CCC[N@@H+](Cc3cn[nH]c3C)C2)n1 ZINC000371410323 148099477 /nfs/dbraw/zinc/09/94/77/148099477.db2.gz COXBDLJQQRQQTL-CYBMUJFWSA-N 1 2 301.394 2.034 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC1CCOCC1)C2 ZINC000372386651 148201987 /nfs/dbraw/zinc/20/19/87/148201987.db2.gz MDFJCPKGGVPZAH-ZDUSSCGKSA-N 1 2 305.422 2.181 10 0 DEAELO CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC1CCOCC1)CC2 ZINC000372386651 148201988 /nfs/dbraw/zinc/20/19/88/148201988.db2.gz MDFJCPKGGVPZAH-ZDUSSCGKSA-N 1 2 305.422 2.181 10 0 DEAELO CC(=O)N(c1nc(C[N@H+]2CCOCC[C@H]2C)cs1)C1CC1 ZINC000374998693 148314798 /nfs/dbraw/zinc/31/47/98/148314798.db2.gz NVGVIXFFBXPSSS-LLVKDONJSA-N 1 2 309.435 2.269 10 0 DEAELO CC(=O)N(c1nc(C[N@@H+]2CCOCC[C@H]2C)cs1)C1CC1 ZINC000374998693 148314799 /nfs/dbraw/zinc/31/47/99/148314799.db2.gz NVGVIXFFBXPSSS-LLVKDONJSA-N 1 2 309.435 2.269 10 0 DEAELO CC(C)[C@@H](C)NC(=O)C[NH+](CC(=O)N[C@H](C)C(C)C)C(C)C ZINC000073787064 401721895 /nfs/dbraw/zinc/72/18/95/401721895.db2.gz JZJGDWQZRCEIQP-HUUCEWRRSA-N 1 2 313.486 2.018 10 0 DEAELO COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)o1 ZINC000127279166 401726921 /nfs/dbraw/zinc/72/69/21/401726921.db2.gz PLRNIKIPHYLIRW-MRXNPFEDSA-N 1 2 317.341 2.345 10 0 DEAELO COC(=O)c1ccc(C[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)o1 ZINC000127279166 401726925 /nfs/dbraw/zinc/72/69/25/401726925.db2.gz PLRNIKIPHYLIRW-MRXNPFEDSA-N 1 2 317.341 2.345 10 0 DEAELO Cc1cc(NCCSCCCO)nc(-c2ccncc2)[nH+]1 ZINC000112080228 401730085 /nfs/dbraw/zinc/73/00/85/401730085.db2.gz UHDXCTLRFBTXCI-UHFFFAOYSA-N 1 2 304.419 2.375 10 0 DEAELO C[C@@H](CCO)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074358490 401736681 /nfs/dbraw/zinc/73/66/81/401736681.db2.gz HWMJGKRPDOUYPL-STQMWFEESA-N 1 2 302.378 2.003 10 0 DEAELO Cc1cc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc[nH+]1 ZINC000112298547 401737428 /nfs/dbraw/zinc/73/74/28/401737428.db2.gz DZZXHDZOXRWGAG-CQSZACIVSA-N 1 2 319.430 2.420 10 0 DEAELO O=C(Cc1ccc(Br)s1)NCCn1cc[nH+]c1 ZINC000074400115 401738123 /nfs/dbraw/zinc/73/81/23/401738123.db2.gz GKCJNRJSZAKHIB-UHFFFAOYSA-N 1 2 314.208 2.066 10 0 DEAELO CCOCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127718919 401747417 /nfs/dbraw/zinc/74/74/17/401747417.db2.gz IHSXUYNQQSTHOE-GDBMZVCRSA-N 1 2 312.360 2.253 10 0 DEAELO CCOCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000127718919 401747418 /nfs/dbraw/zinc/74/74/18/401747418.db2.gz IHSXUYNQQSTHOE-GDBMZVCRSA-N 1 2 312.360 2.253 10 0 DEAELO CCc1nnsc1C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112665404 401752896 /nfs/dbraw/zinc/75/28/96/401752896.db2.gz VPDCCVKLOFPRDG-UHFFFAOYSA-N 1 2 319.434 2.156 10 0 DEAELO Cc1n[nH]c(C)c1CC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112728967 401756516 /nfs/dbraw/zinc/75/65/16/401756516.db2.gz MWOUZNOKLYHKAC-UHFFFAOYSA-N 1 2 315.421 2.011 10 0 DEAELO Clc1cccc(CN2CCCC[C@H]2C[NH+]2CCOCC2)n1 ZINC000075968960 401775514 /nfs/dbraw/zinc/77/55/14/401775514.db2.gz AUOFDQRJKIRKSC-HNNXBMFYSA-N 1 2 309.841 2.422 10 0 DEAELO CC(=O)Nc1nc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000128524678 401780953 /nfs/dbraw/zinc/78/09/53/401780953.db2.gz IOFAIFKISJHKEM-DOMZBBRYSA-N 1 2 309.435 2.229 10 0 DEAELO CC(=O)Nc1nc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000128524678 401780954 /nfs/dbraw/zinc/78/09/54/401780954.db2.gz IOFAIFKISJHKEM-DOMZBBRYSA-N 1 2 309.435 2.229 10 0 DEAELO Cc1cc(NCCOC[C@@H]2CCCO2)nc(-c2cccnc2)[nH+]1 ZINC000115518964 401830410 /nfs/dbraw/zinc/83/04/10/401830410.db2.gz IHTXCUFOKSCEQO-HNNXBMFYSA-N 1 2 314.389 2.455 10 0 DEAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccc(Cl)cc1F ZINC000114855830 401812239 /nfs/dbraw/zinc/81/22/39/401812239.db2.gz UGSFMRGHIQXGLR-GFCCVEGCSA-N 1 2 312.772 2.072 10 0 DEAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccc(Cl)cc1F ZINC000114855830 401812240 /nfs/dbraw/zinc/81/22/40/401812240.db2.gz UGSFMRGHIQXGLR-GFCCVEGCSA-N 1 2 312.772 2.072 10 0 DEAELO O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccc(F)cc1Cl ZINC000114858117 401812949 /nfs/dbraw/zinc/81/29/49/401812949.db2.gz UALXRHHTEDOQMJ-LBPRGKRZSA-N 1 2 312.772 2.072 10 0 DEAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccc(F)cc1Cl ZINC000114858117 401812951 /nfs/dbraw/zinc/81/29/51/401812951.db2.gz UALXRHHTEDOQMJ-LBPRGKRZSA-N 1 2 312.772 2.072 10 0 DEAELO COc1cccc([C@@H]2C[N@H+](CC[C@@H]3CCOC3=O)CCO2)c1 ZINC000119261840 401937225 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Cn1cnnc1C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134822555 401915412 /nfs/dbraw/zinc/91/54/12/401915412.db2.gz XHWCZDFUGSNJLG-AWEZNQCLSA-N 1 2 302.353 2.192 10 0 DEAELO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NCc1ccc[nH+]c1N(C)C ZINC000135907433 401955249 /nfs/dbraw/zinc/95/52/49/401955249.db2.gz IYJPYYXLPSFWKQ-NSHDSACASA-N 1 2 315.421 2.298 10 0 DEAELO C[C@H](C[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000119519753 401956078 /nfs/dbraw/zinc/95/60/78/401956078.db2.gz RJOADYJPYPQLBE-YCPHGPKFSA-N 1 2 311.447 2.129 10 0 DEAELO C[C@H](C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1)CS(C)(=O)=O ZINC000119519753 401956081 /nfs/dbraw/zinc/95/60/81/401956081.db2.gz RJOADYJPYPQLBE-YCPHGPKFSA-N 1 2 311.447 2.129 10 0 DEAELO CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089782763 401962820 /nfs/dbraw/zinc/96/28/20/401962820.db2.gz ONSFSLFLOHAPQG-ZIAGYGMSSA-N 1 2 316.854 2.415 10 0 DEAELO CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089782763 401962822 /nfs/dbraw/zinc/96/28/22/401962822.db2.gz ONSFSLFLOHAPQG-ZIAGYGMSSA-N 1 2 316.854 2.415 10 0 DEAELO CCOC(=O)CC[C@@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000089935226 401974229 /nfs/dbraw/zinc/97/42/29/401974229.db2.gz AFAPBHXERWYQSU-OLZOCXBDSA-N 1 2 322.409 2.378 10 0 DEAELO CCOC(=O)CC[C@H](C)NC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000089935227 401974460 /nfs/dbraw/zinc/97/44/60/401974460.db2.gz AFAPBHXERWYQSU-STQMWFEESA-N 1 2 322.409 2.378 10 0 DEAELO CO[C@](C)(C(=O)N1CCc2c([nH+]cn2C)C1)c1ccccc1F ZINC000365423929 286135525 /nfs/dbraw/zinc/13/55/25/286135525.db2.gz OIASJZUMLAHDQG-KRWDZBQOSA-N 1 2 317.364 2.006 10 0 DEAELO CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091056774 401991884 /nfs/dbraw/zinc/99/18/84/401991884.db2.gz COPLURKKEHRIQV-OLZOCXBDSA-N 1 2 320.817 2.164 10 0 DEAELO CC[N@H+]1CC[C@@H](NS(C)(=O)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000091056774 401991886 /nfs/dbraw/zinc/99/18/86/401991886.db2.gz COPLURKKEHRIQV-OLZOCXBDSA-N 1 2 320.817 2.164 10 0 DEAELO CC(=O)c1cnc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)s1 ZINC000135450673 401940280 /nfs/dbraw/zinc/94/02/80/401940280.db2.gz BEVFBHXSWWDSDJ-ZDUSSCGKSA-N 1 2 317.414 2.457 10 0 DEAELO CC1(C)C(=O)NCC[N@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000121085897 402014499 /nfs/dbraw/zinc/01/44/99/402014499.db2.gz QZQQIXIHYSRROS-CYBMUJFWSA-N 1 2 321.808 2.043 10 0 DEAELO CC1(C)C(=O)NCC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000121085897 402014500 /nfs/dbraw/zinc/01/45/00/402014500.db2.gz QZQQIXIHYSRROS-CYBMUJFWSA-N 1 2 321.808 2.043 10 0 DEAELO CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000049974208 402023623 /nfs/dbraw/zinc/02/36/23/402023623.db2.gz AAGQRTKUXQFCJR-DOMZBBRYSA-N 1 2 315.373 2.193 10 0 DEAELO c1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)n[nH]1 ZINC000092709252 402008074 /nfs/dbraw/zinc/00/80/74/402008074.db2.gz RBVYFGKSRLCWQE-UHFFFAOYSA-N 1 2 310.361 2.234 10 0 DEAELO O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)c1ccnc(-n2cc[nH+]c2)c1 ZINC000152207137 402082354 /nfs/dbraw/zinc/08/23/54/402082354.db2.gz LTBKLDCFJDNBCE-CGTJXYLNSA-N 1 2 316.364 2.335 10 0 DEAELO Cc1ccc(NC(=O)NCCNC(=O)c2ccccc2)c(C)[nH+]1 ZINC000152225570 402083048 /nfs/dbraw/zinc/08/30/48/402083048.db2.gz WFCMHIBCVAZKEG-UHFFFAOYSA-N 1 2 312.373 2.250 10 0 DEAELO Cn1c(Cl)cnc1C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000122831503 402097051 /nfs/dbraw/zinc/09/70/51/402097051.db2.gz PHXKUWYXKDIHCR-LLVKDONJSA-N 1 2 320.828 2.380 10 0 DEAELO Cn1c(Cl)cnc1C[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000122831503 402097054 /nfs/dbraw/zinc/09/70/54/402097054.db2.gz PHXKUWYXKDIHCR-LLVKDONJSA-N 1 2 320.828 2.380 10 0 DEAELO C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)O1 ZINC000408319495 296630804 /nfs/dbraw/zinc/63/08/04/296630804.db2.gz HHQOLIGWGMYKBP-UPJWGTAASA-N 1 2 305.422 2.179 10 0 DEAELO CN(C)c1cccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)n1 ZINC000152778138 402108430 /nfs/dbraw/zinc/10/84/30/402108430.db2.gz YXNGRUNSWXEBCA-ZDUSSCGKSA-N 1 2 314.393 2.041 10 0 DEAELO C[C@@H]1CCN(C(=O)NCc2cscn2)C[C@@H]1n1cc[nH+]c1 ZINC000152940297 402118253 /nfs/dbraw/zinc/11/82/53/402118253.db2.gz FWUNKWYBEICWAI-YPMHNXCESA-N 1 2 305.407 2.132 10 0 DEAELO CC(C)CCS(=O)(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000122094071 402061361 /nfs/dbraw/zinc/06/13/61/402061361.db2.gz ZXMRXKRFNUWYTO-AWEZNQCLSA-N 1 2 313.467 2.051 10 0 DEAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1O ZINC000123420914 402127067 /nfs/dbraw/zinc/12/70/67/402127067.db2.gz AVHUYEVCCAAMSQ-UHFFFAOYSA-N 1 2 315.348 2.325 10 0 DEAELO CCc1ccc(C[NH+]2CCN(C(=O)NCCCF)CC2)s1 ZINC000123587167 402136520 /nfs/dbraw/zinc/13/65/20/402136520.db2.gz UFKVXLIDZFFMJS-UHFFFAOYSA-N 1 2 313.442 2.497 10 0 DEAELO CCCN(CCC)C(=O)C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153326829 402139449 /nfs/dbraw/zinc/13/94/49/402139449.db2.gz GRECNDVSLRGAGC-CQSZACIVSA-N 1 2 319.440 2.296 10 0 DEAELO CCCN(CCC)C(=O)C[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153326829 402139450 /nfs/dbraw/zinc/13/94/50/402139450.db2.gz GRECNDVSLRGAGC-CQSZACIVSA-N 1 2 319.440 2.296 10 0 DEAELO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ncc(-c2cccs2)o1 ZINC000067376082 402157913 /nfs/dbraw/zinc/15/79/13/402157913.db2.gz ULHQOMLCNRNFJE-LLVKDONJSA-N 1 2 305.403 2.456 10 0 DEAELO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ncc(-c2cccs2)o1 ZINC000067376082 402157917 /nfs/dbraw/zinc/15/79/17/402157917.db2.gz ULHQOMLCNRNFJE-LLVKDONJSA-N 1 2 305.403 2.456 10 0 DEAELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCCOC2)CC1 ZINC000124425092 402179439 /nfs/dbraw/zinc/17/94/39/402179439.db2.gz XOODTJRNEPZGQH-HIFRSBDPSA-N 1 2 323.462 2.315 10 0 DEAELO COC(=O)[C@H](C)C[N@H+](Cc1csnn1)Cc1ccccc1 ZINC000154958953 402239507 /nfs/dbraw/zinc/23/95/07/402239507.db2.gz RQILBPVARIJYFF-GFCCVEGCSA-N 1 2 305.403 2.349 10 0 DEAELO COC(=O)[C@H](C)C[N@@H+](Cc1csnn1)Cc1ccccc1 ZINC000154958953 402239509 /nfs/dbraw/zinc/23/95/09/402239509.db2.gz RQILBPVARIJYFF-GFCCVEGCSA-N 1 2 305.403 2.349 10 0 DEAELO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000107847344 402242010 /nfs/dbraw/zinc/24/20/10/402242010.db2.gz UEMPMJBIBBDQNK-NSHDSACASA-N 1 2 310.781 2.082 10 0 DEAELO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000107847344 402242012 /nfs/dbraw/zinc/24/20/12/402242012.db2.gz UEMPMJBIBBDQNK-NSHDSACASA-N 1 2 310.781 2.082 10 0 DEAELO CCO[C@H]1C[C@H](NC(=O)Nc2cc[nH+]c(C)c2)C12CCOCC2 ZINC000184579696 402278793 /nfs/dbraw/zinc/27/87/93/402278793.db2.gz JUIXXVYLJKMOGK-GJZGRUSLSA-N 1 2 319.405 2.486 10 0 DEAELO C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000176920239 402350367 /nfs/dbraw/zinc/35/03/67/402350367.db2.gz XQAQFNXSLBBJKE-ABDJAZHISA-N 1 2 318.392 2.162 10 0 DEAELO CC(=O)c1ccccc1OCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177279124 402387375 /nfs/dbraw/zinc/38/73/75/402387375.db2.gz ZQVMDVSBJPNRIS-CQSZACIVSA-N 1 2 317.307 2.267 10 0 DEAELO CC(=O)c1ccccc1OCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000177279124 402387378 /nfs/dbraw/zinc/38/73/78/402387378.db2.gz ZQVMDVSBJPNRIS-CQSZACIVSA-N 1 2 317.307 2.267 10 0 DEAELO Cc1ccc(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)s1 ZINC000177231243 402383878 /nfs/dbraw/zinc/38/38/78/402383878.db2.gz GJLWUADXWBIIOO-WCQYABFASA-N 1 2 309.435 2.241 10 0 DEAELO CN(C)c1noc(C[N@H+](C)Cc2ccc(OC(F)F)cc2)n1 ZINC000185232809 402337304 /nfs/dbraw/zinc/33/73/04/402337304.db2.gz FOQBOWXYXZWPSK-UHFFFAOYSA-N 1 2 312.320 2.369 10 0 DEAELO CN(C)c1noc(C[N@@H+](C)Cc2ccc(OC(F)F)cc2)n1 ZINC000185232809 402337308 /nfs/dbraw/zinc/33/73/08/402337308.db2.gz FOQBOWXYXZWPSK-UHFFFAOYSA-N 1 2 312.320 2.369 10 0 DEAELO CCC1(CC)CN(Cc2cn3ccccc3[nH+]2)CC[S@@]1=O ZINC000185256638 402338661 /nfs/dbraw/zinc/33/86/61/402338661.db2.gz QOXRYFOGJIHFEC-NRFANRHFSA-N 1 2 305.447 2.457 10 0 DEAELO CCSCc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)no1 ZINC000186036558 402397521 /nfs/dbraw/zinc/39/75/21/402397521.db2.gz YPQUHKFLUGFNAL-LBPRGKRZSA-N 1 2 320.418 2.429 10 0 DEAELO Cc1cc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)no1 ZINC000186042455 402397914 /nfs/dbraw/zinc/39/79/14/402397914.db2.gz YGRSNOSSWRTFHI-UHFFFAOYSA-N 1 2 301.350 2.122 10 0 DEAELO CCOC(=O)c1nn(C)cc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000186160927 402406436 /nfs/dbraw/zinc/40/64/36/402406436.db2.gz LPZLWMWGOOCOAH-UHFFFAOYSA-N 1 2 305.353 2.368 10 0 DEAELO CCOC(=O)c1nn(C)cc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000186160927 402406438 /nfs/dbraw/zinc/40/64/38/402406438.db2.gz LPZLWMWGOOCOAH-UHFFFAOYSA-N 1 2 305.353 2.368 10 0 DEAELO Cc1cc(CCCC(=O)NC[C@@H]2C[N@H+](C)CCO2)c(C)s1 ZINC000177628931 402421481 /nfs/dbraw/zinc/42/14/81/402421481.db2.gz AYHKQIXTBWIUSG-OAHLLOKOSA-N 1 2 310.463 2.134 10 0 DEAELO Cc1cc(CCCC(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(C)s1 ZINC000177628931 402421484 /nfs/dbraw/zinc/42/14/84/402421484.db2.gz AYHKQIXTBWIUSG-OAHLLOKOSA-N 1 2 310.463 2.134 10 0 DEAELO CC(C)[C@H](NC(=O)[C@H]1CCCn2cc[nH+]c21)C(=O)OC(C)(C)C ZINC000177624667 402421766 /nfs/dbraw/zinc/42/17/66/402421766.db2.gz FVPONABAYAYPFP-STQMWFEESA-N 1 2 321.421 2.243 10 0 DEAELO CN(C)C(=O)C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000162624930 402426783 /nfs/dbraw/zinc/42/67/83/402426783.db2.gz NLKFSABRORPEPD-UHFFFAOYSA-N 1 2 300.324 2.404 10 0 DEAELO Cc1nn(CC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(C)c1Cl ZINC000177795091 402437150 /nfs/dbraw/zinc/43/71/50/402437150.db2.gz OHFYGCYVCBUMNG-ZDUSSCGKSA-N 1 2 321.812 2.041 10 0 DEAELO CS[C@@H](C)CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186543701 402440638 /nfs/dbraw/zinc/44/06/38/402440638.db2.gz GZANRTQOMNVHEC-ZDUSSCGKSA-N 1 2 308.451 2.055 10 0 DEAELO CNC(=O)COc1ccc([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000246113694 402511000 /nfs/dbraw/zinc/51/10/00/402511000.db2.gz OAYGMOMMLWPDFK-DJIMGWMZSA-N 1 2 318.417 2.427 10 0 DEAELO C[C@H](c1ncc(C(C)(C)C)o1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000245462532 402463331 /nfs/dbraw/zinc/46/33/31/402463331.db2.gz GNIGSLOARWMVGB-ZIAGYGMSSA-N 1 2 307.438 2.440 10 0 DEAELO CC[C@@H]1C[N@H+](Cc2cc(OC)c3c(c2)OCCO3)C[C@@H](C)O1 ZINC000245550923 402469975 /nfs/dbraw/zinc/46/99/75/402469975.db2.gz APLBPLZASRNJLT-TZMCWYRMSA-N 1 2 307.390 2.466 10 0 DEAELO CC[C@@H]1C[N@@H+](Cc2cc(OC)c3c(c2)OCCO3)C[C@@H](C)O1 ZINC000245550923 402469977 /nfs/dbraw/zinc/46/99/77/402469977.db2.gz APLBPLZASRNJLT-TZMCWYRMSA-N 1 2 307.390 2.466 10 0 DEAELO C[N@@H+]1CC[C@H](NC(=O)COCC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245702069 402480668 /nfs/dbraw/zinc/48/06/68/402480668.db2.gz RAVQPAUMAFNPBP-DOTOQJQBSA-N 1 2 324.371 2.253 10 0 DEAELO C[N@H+]1CC[C@H](NC(=O)COCC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245702069 402480670 /nfs/dbraw/zinc/48/06/70/402480670.db2.gz RAVQPAUMAFNPBP-DOTOQJQBSA-N 1 2 324.371 2.253 10 0 DEAELO C[C@H](CNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000245721893 402482178 /nfs/dbraw/zinc/48/21/78/402482178.db2.gz PXTZUYYMASKTNC-QBPKDAKJSA-N 1 2 308.466 2.430 10 0 DEAELO C[N@@H+]1CC[C@H](NC(=O)NCC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245722376 402482207 /nfs/dbraw/zinc/48/22/07/402482207.db2.gz WKGIRXQDZKMTTR-LSDHHAIUSA-N 1 2 309.360 2.419 10 0 DEAELO C[N@H+]1CC[C@H](NC(=O)NCC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000245722376 402482208 /nfs/dbraw/zinc/48/22/08/402482208.db2.gz WKGIRXQDZKMTTR-LSDHHAIUSA-N 1 2 309.360 2.419 10 0 DEAELO C[N@@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1c1ccc(Cl)cc1 ZINC000245746289 402484742 /nfs/dbraw/zinc/48/47/42/402484742.db2.gz AGGHTVSBMICLNE-WCQYABFASA-N 1 2 322.821 2.367 10 0 DEAELO C[N@H+]1CC[C@H](NC(=O)c2cnns2)[C@H]1c1ccc(Cl)cc1 ZINC000245746289 402484743 /nfs/dbraw/zinc/48/47/43/402484743.db2.gz AGGHTVSBMICLNE-WCQYABFASA-N 1 2 322.821 2.367 10 0 DEAELO Cc1ccc(C[S@](=O)CC(=O)NCCC(C)(C)C)c(C)[nH+]1 ZINC000187213010 402488447 /nfs/dbraw/zinc/48/84/47/402488447.db2.gz LLZWXEMWLIEZJD-NRFANRHFSA-N 1 2 310.463 2.500 10 0 DEAELO Cc1nsc(N2CC[NH+](Cc3ccc(C)nc3C)CC2)n1 ZINC000187274025 402491104 /nfs/dbraw/zinc/49/11/04/402491104.db2.gz GUQFONBRNOBUEW-UHFFFAOYSA-N 1 2 303.435 2.181 10 0 DEAELO Cc1cc([C@@H]2C[N@H+](CC[C@H]3CCOC3=O)CCO2)ccc1F ZINC000245903287 402496099 /nfs/dbraw/zinc/49/60/99/402496099.db2.gz ULCRTIYPWBTKOH-BBRMVZONSA-N 1 2 307.365 2.461 10 0 DEAELO Cc1cc([C@@H]2C[N@@H+](CC[C@H]3CCOC3=O)CCO2)ccc1F ZINC000245903287 402496101 /nfs/dbraw/zinc/49/61/01/402496101.db2.gz 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684225004 /nfs/dbraw/zinc/22/50/04/684225004.db2.gz PUPUKLBRSHHCSE-GFCCVEGCSA-N 1 2 324.450 2.076 10 0 DEAELO C[N@H+](Cc1cccc(Br)c1O)CC1(CO)CC1 ZINC000188952577 684368630 /nfs/dbraw/zinc/36/86/30/684368630.db2.gz FPSPDGATXSVVTJ-UHFFFAOYSA-N 1 2 300.196 2.359 10 0 DEAELO C[N@@H+](Cc1cccc(Br)c1O)CC1(CO)CC1 ZINC000188952577 684368636 /nfs/dbraw/zinc/36/86/36/684368636.db2.gz FPSPDGATXSVVTJ-UHFFFAOYSA-N 1 2 300.196 2.359 10 0 DEAELO COCCCOCCOC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000191591044 684432119 /nfs/dbraw/zinc/43/21/19/684432119.db2.gz ANBBXGZUEVQYNT-HNNXBMFYSA-N 1 2 321.417 2.030 10 0 DEAELO COCCCOCCOC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000191591044 684432123 /nfs/dbraw/zinc/43/21/23/684432123.db2.gz ANBBXGZUEVQYNT-HNNXBMFYSA-N 1 2 321.417 2.030 10 0 DEAELO COc1ccccc1C[C@@H](C)[NH+]1CC(OCc2nc(C)no2)C1 ZINC000886096726 692002674 /nfs/dbraw/zinc/00/26/74/692002674.db2.gz ARHRJSGULYEOQD-GFCCVEGCSA-N 1 2 317.389 2.219 10 0 DEAELO C[C@H]([NH2+]Cc1c[nH]nn1)[C@H]1CCCCN1C(=O)OC(C)(C)C 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Cc1[nH+]c2ccccc2n1CC(=O)NCCCc1ccccn1 ZINC000178631225 402519793 /nfs/dbraw/zinc/51/97/93/402519793.db2.gz NFIYNUXVLYYDLP-UHFFFAOYSA-N 1 2 308.385 2.489 10 0 DEAELO c1csc([C@@H]2CN(Cc3cn4ccccc4[nH+]3)CCO2)n1 ZINC000170836456 402531457 /nfs/dbraw/zinc/53/14/57/402531457.db2.gz OSDMSMZJPHFOFB-ZDUSSCGKSA-N 1 2 300.387 2.364 10 0 DEAELO COC(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246671701 402540230 /nfs/dbraw/zinc/54/02/30/402540230.db2.gz MCJJNNZBMBRLKI-IAGOWNOFSA-N 1 2 312.369 2.449 10 0 DEAELO COC(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246671701 402540233 /nfs/dbraw/zinc/54/02/33/402540233.db2.gz MCJJNNZBMBRLKI-IAGOWNOFSA-N 1 2 312.369 2.449 10 0 DEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000190144431 402578961 /nfs/dbraw/zinc/57/89/61/402578961.db2.gz NIODOUVEEIUTAF-LSDHHAIUSA-N 1 2 315.373 2.275 10 0 DEAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000190144431 402578963 /nfs/dbraw/zinc/57/89/63/402578963.db2.gz NIODOUVEEIUTAF-LSDHHAIUSA-N 1 2 315.373 2.275 10 0 DEAELO O=C(C[C@@H](O)c1ccccc1)NCc1cccnc1-n1cc[nH+]c1 ZINC000179648499 402597180 /nfs/dbraw/zinc/59/71/80/402597180.db2.gz VQFHNEFYIGLJEQ-MRXNPFEDSA-N 1 2 322.368 2.007 10 0 DEAELO CC(C)c1cc(C(=O)NCCc2[nH]cc[nH+]2)nn1C(C)(C)C ZINC000171754796 402618607 /nfs/dbraw/zinc/61/86/07/402618607.db2.gz ULKLUJPBMQUXLO-UHFFFAOYSA-N 1 2 303.410 2.457 10 0 DEAELO CSc1nsc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)n1 ZINC000180515877 402618719 /nfs/dbraw/zinc/61/87/19/402618719.db2.gz RRLQYJHLKUCOCS-SECBINFHSA-N 1 2 324.435 2.153 10 0 DEAELO C[C@H](CNC(=O)c1ccc(-c2ccccc2)[nH]1)[NH+]1CCOCC1 ZINC000171957360 402635710 /nfs/dbraw/zinc/63/57/10/402635710.db2.gz OIDFPPGYBJYTNP-CQSZACIVSA-N 1 2 313.401 2.132 10 0 DEAELO Cc1nc([C@@H]2C[N@H+](CCCc3cccc(C)c3)CCO2)n[nH]1 ZINC000181122277 402635753 /nfs/dbraw/zinc/63/57/53/402635753.db2.gz FRYFASVUYWVCFA-INIZCTEOSA-N 1 2 300.406 2.428 10 0 DEAELO Cc1nc([C@@H]2C[N@@H+](CCCc3cccc(C)c3)CCO2)n[nH]1 ZINC000181122277 402635754 /nfs/dbraw/zinc/63/57/54/402635754.db2.gz FRYFASVUYWVCFA-INIZCTEOSA-N 1 2 300.406 2.428 10 0 DEAELO COCCC[C@@H](C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000181792535 402657087 /nfs/dbraw/zinc/65/70/87/402657087.db2.gz ABYLCHDLIOPULE-CYBMUJFWSA-N 1 2 307.438 2.491 10 0 DEAELO CC(C)OC(=O)CC[N@@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000173607144 402704844 /nfs/dbraw/zinc/70/48/44/402704844.db2.gz IJUIDPXJOWPFBN-CQSZACIVSA-N 1 2 320.437 2.483 10 0 DEAELO CC(C)OC(=O)CC[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000173607144 402704847 /nfs/dbraw/zinc/70/48/47/402704847.db2.gz IJUIDPXJOWPFBN-CQSZACIVSA-N 1 2 320.437 2.483 10 0 DEAELO Cc1nnc([C@H]2C[N@H+](CCSc3ccccc3)CCO2)[nH]1 ZINC000173678269 402708468 /nfs/dbraw/zinc/70/84/68/402708468.db2.gz JBXUUWOHARDDMU-CQSZACIVSA-N 1 2 304.419 2.279 10 0 DEAELO Cc1nnc([C@H]2C[N@@H+](CCSc3ccccc3)CCO2)[nH]1 ZINC000173678269 402708470 /nfs/dbraw/zinc/70/84/70/402708470.db2.gz JBXUUWOHARDDMU-CQSZACIVSA-N 1 2 304.419 2.279 10 0 DEAELO CC(C)c1nc(C2([NH2+]CCN3CCCC3=O)CCCC2)no1 ZINC000173702902 402708787 /nfs/dbraw/zinc/70/87/87/402708787.db2.gz WBRHSVSNCAWODX-UHFFFAOYSA-N 1 2 306.410 2.174 10 0 DEAELO CC(C)Cn1ncnc1C[NH+]1CCC(c2ccnn2C)CC1 ZINC000182729498 402712518 /nfs/dbraw/zinc/71/25/18/402712518.db2.gz JQSRKGCTRWLHTK-UHFFFAOYSA-N 1 2 302.426 2.047 10 0 DEAELO CSc1ccc(C(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)cc1 ZINC000173873998 402716261 /nfs/dbraw/zinc/71/62/61/402716261.db2.gz DCZAFKGXQKXGBY-BBRMVZONSA-N 1 2 320.458 2.201 10 0 DEAELO Cc1ccccc1[C@@H](C)CC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000172752165 402673432 /nfs/dbraw/zinc/67/34/32/402673432.db2.gz ZAZWJKQFWIDGTL-DLBZAZTESA-N 1 2 316.445 2.422 10 0 DEAELO CCn1cc([C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)cn1 ZINC000191709364 402687457 /nfs/dbraw/zinc/68/74/57/402687457.db2.gz KPOUFTMGBBFDMB-SFHVURJKSA-N 1 2 313.401 2.411 10 0 DEAELO CCn1cc([C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)cn1 ZINC000191709364 402687460 /nfs/dbraw/zinc/68/74/60/402687460.db2.gz KPOUFTMGBBFDMB-SFHVURJKSA-N 1 2 313.401 2.411 10 0 DEAELO CCn1cc([C@H]2C[N@H+](Cc3cnn4ccccc34)CCO2)cn1 ZINC000191709954 402687464 /nfs/dbraw/zinc/68/74/64/402687464.db2.gz TXZKXNABXPOSSD-QGZVFWFLSA-N 1 2 311.389 2.124 10 0 DEAELO CCn1cc([C@H]2C[N@@H+](Cc3cnn4ccccc34)CCO2)cn1 ZINC000191709954 402687467 /nfs/dbraw/zinc/68/74/67/402687467.db2.gz TXZKXNABXPOSSD-QGZVFWFLSA-N 1 2 311.389 2.124 10 0 DEAELO CC(C)(C)NC(=O)CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255598025 402692374 /nfs/dbraw/zinc/69/23/74/402692374.db2.gz MDIRLSVYVILTQV-YFHOEESVSA-N 1 2 315.461 2.232 10 0 DEAELO CC(C)(C)NC(=O)C[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255598025 402692377 /nfs/dbraw/zinc/69/23/77/402692377.db2.gz MDIRLSVYVILTQV-YFHOEESVSA-N 1 2 315.461 2.232 10 0 DEAELO C[N@@H+](Cc1cocn1)C[C@H](c1cccs1)N1CCOCC1 ZINC000191941706 402700018 /nfs/dbraw/zinc/70/00/18/402700018.db2.gz FOYMGCVFHDKILJ-CQSZACIVSA-N 1 2 307.419 2.241 10 0 DEAELO C[N@H+](Cc1cocn1)C[C@H](c1cccs1)N1CCOCC1 ZINC000191941706 402700021 /nfs/dbraw/zinc/70/00/21/402700021.db2.gz FOYMGCVFHDKILJ-CQSZACIVSA-N 1 2 307.419 2.241 10 0 DEAELO Fc1ccc(-n2cnnn2)cc1NCc1cn2ccccc2[nH+]1 ZINC000174185362 402730735 /nfs/dbraw/zinc/73/07/35/402730735.db2.gz NEPIWQKBIJGBJC-UHFFFAOYSA-N 1 2 309.308 2.061 10 0 DEAELO CN(C)c1noc(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000192768654 402748438 /nfs/dbraw/zinc/74/84/38/402748438.db2.gz ZQEBJWMZORZIAC-NSHDSACASA-N 1 2 322.796 2.442 10 0 DEAELO CN(C)c1noc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)n1 ZINC000192768654 402748441 /nfs/dbraw/zinc/74/84/41/402748441.db2.gz ZQEBJWMZORZIAC-NSHDSACASA-N 1 2 322.796 2.442 10 0 DEAELO C[C@@]1(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CCCc2ccccc21 ZINC000263275133 402753310 /nfs/dbraw/zinc/75/33/10/402753310.db2.gz SSABFGMPCMVWLS-HOCLYGCPSA-N 1 2 308.372 2.394 10 0 DEAELO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175068246 402775868 /nfs/dbraw/zinc/77/58/68/402775868.db2.gz LUFQPDSXMGJBBT-ZDUSSCGKSA-N 1 2 303.337 2.321 10 0 DEAELO NC(=O)[C@@H]1CCCC[N@H+]1Cc1ncc(-c2cccc(F)c2)o1 ZINC000175068246 402775870 /nfs/dbraw/zinc/77/58/70/402775870.db2.gz LUFQPDSXMGJBBT-ZDUSSCGKSA-N 1 2 303.337 2.321 10 0 DEAELO CCOC(=O)C[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000194529928 402801282 /nfs/dbraw/zinc/80/12/82/402801282.db2.gz FXZPKVHFBZJWKN-JTQLQIEISA-N 1 2 300.761 2.211 10 0 DEAELO CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000183855904 402801801 /nfs/dbraw/zinc/80/18/01/402801801.db2.gz VLEHFNCJFPRRHH-SPLOXXLWSA-N 1 2 314.495 2.011 10 0 DEAELO CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000183855904 402801803 /nfs/dbraw/zinc/80/18/03/402801803.db2.gz VLEHFNCJFPRRHH-SPLOXXLWSA-N 1 2 314.495 2.011 10 0 DEAELO COc1ccc([C@@H](C)CC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000175413572 402804709 /nfs/dbraw/zinc/80/47/09/402804709.db2.gz QJDBRIDKLUXLBP-GJZGRUSLSA-N 1 2 320.433 2.026 10 0 DEAELO C[C@H](CC1CCCCC1)NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000194616733 402805582 /nfs/dbraw/zinc/80/55/82/402805582.db2.gz SPTVGTNFYCTRSG-WBVHZDCISA-N 1 2 323.481 2.461 10 0 DEAELO Cc1nc(CCNC(=O)NCc2cn3c([nH+]2)CCCC3)cs1 ZINC000263810280 402807616 /nfs/dbraw/zinc/80/76/16/402807616.db2.gz TXGPGTCEUNNZLX-UHFFFAOYSA-N 1 2 319.434 2.026 10 0 DEAELO O=C(NCCC1=CCCCCC1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000184075462 402816151 /nfs/dbraw/zinc/81/61/51/402816151.db2.gz OJTNJVZDEFJTBB-KRWDZBQOSA-N 1 2 321.465 2.383 10 0 DEAELO COCc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cccc(O)c1 ZINC000194916205 402822965 /nfs/dbraw/zinc/82/29/65/402822965.db2.gz OGQGCXGWDBRRIN-RISCZKNCSA-N 1 2 302.378 2.316 10 0 DEAELO CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000184225031 402828290 /nfs/dbraw/zinc/82/82/90/402828290.db2.gz VKUSNAQOGPSEAJ-MRXNPFEDSA-N 1 2 305.422 2.192 10 0 DEAELO CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(N(C)C)cc1 ZINC000184225031 402828292 /nfs/dbraw/zinc/82/82/92/402828292.db2.gz VKUSNAQOGPSEAJ-MRXNPFEDSA-N 1 2 305.422 2.192 10 0 DEAELO C[C@@H](CNC(=O)N1CCc2ccc(Cl)cc21)[NH+]1CCOCC1 ZINC000195137134 402833471 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C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]2c2cccc(F)c2)C1 ZINC000246386770 529783375 /nfs/dbraw/zinc/78/33/75/529783375.db2.gz IAYXOHFZFCRUCJ-HOTGVXAUSA-N 1 2 321.396 2.003 10 0 DEAELO C[C@@H]1CSCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000192294937 282341257 /nfs/dbraw/zinc/34/12/57/282341257.db2.gz RMRBEKVSUVIOEY-LBPRGKRZSA-N 1 2 308.451 2.042 10 0 DEAELO CCC[C@@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)C1CCCCC1 ZINC000104797401 539438196 /nfs/dbraw/zinc/43/81/96/539438196.db2.gz JOWCKIQQXDLUTP-HZPDHXFCSA-N 1 2 311.470 2.365 10 0 DEAELO CCC[C@@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)C1CCCCC1 ZINC000104797401 539438203 /nfs/dbraw/zinc/43/82/03/539438203.db2.gz JOWCKIQQXDLUTP-HZPDHXFCSA-N 1 2 311.470 2.365 10 0 DEAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CC(=O)NC1CCCCCC1 ZINC000615635256 362666588 /nfs/dbraw/zinc/66/65/88/362666588.db2.gz IZFLIURWZLIYQI-LXZKKBNFSA-N 1 2 322.449 2.099 10 0 DEAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CC(=O)NC1CCCCCC1 ZINC000615635256 362666592 /nfs/dbraw/zinc/66/65/92/362666592.db2.gz IZFLIURWZLIYQI-LXZKKBNFSA-N 1 2 322.449 2.099 10 0 DEAELO O=S(=O)(c1ccccc1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000616653280 362905184 /nfs/dbraw/zinc/90/51/84/362905184.db2.gz KTLMIHRWQFWJOW-MRXNPFEDSA-N 1 2 320.389 2.161 10 0 DEAELO CCc1nn(C)cc1CN1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000180080961 539644032 /nfs/dbraw/zinc/64/40/32/539644032.db2.gz GCZMHCFSQFWLGM-UHFFFAOYSA-N 1 2 319.478 2.065 10 0 DEAELO CCc1nn(C)cc1C[NH+]1CCN(Cc2cnc(C)s2)CC1 ZINC000180080961 539644038 /nfs/dbraw/zinc/64/40/38/539644038.db2.gz GCZMHCFSQFWLGM-UHFFFAOYSA-N 1 2 319.478 2.065 10 0 DEAELO Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H](C)Cn1ncc2ccccc2c1=O ZINC000181035318 539648125 /nfs/dbraw/zinc/64/81/25/539648125.db2.gz RUJDYWBDYIHEDP-NWDGAFQWSA-N 1 2 311.389 2.167 10 0 DEAELO CNC(=O)[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C ZINC000183640862 539663671 /nfs/dbraw/zinc/66/36/71/539663671.db2.gz KYOIFYZLUVYPNV-CYBMUJFWSA-N 1 2 322.796 2.250 10 0 DEAELO CCC[C@@H]1[NH2+]C2(CCCC2)C(=O)N1[C@H](C)CC[S@](C)=O ZINC000130215647 185946914 /nfs/dbraw/zinc/94/69/14/185946914.db2.gz AZUFTYDMSLFJDY-VFGMZZLHSA-N 1 2 300.468 2.014 10 0 DEAELO Nc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1Br ZINC000071395092 190966948 /nfs/dbraw/zinc/96/69/48/190966948.db2.gz WRUMCMMQPXZWAF-UHFFFAOYSA-N 1 2 323.194 2.048 10 0 DEAELO Cc1c(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)ccn1C ZINC000195264399 539720959 /nfs/dbraw/zinc/72/09/59/539720959.db2.gz OUXRBNOZDBIDMM-CQSZACIVSA-N 1 2 312.417 2.248 10 0 DEAELO Nc1c(Br)cccc1C(=O)NCCCn1cc[nH+]c1 ZINC000071697940 191008534 /nfs/dbraw/zinc/00/85/34/191008534.db2.gz QKVXFGDGVMPWNE-UHFFFAOYSA-N 1 2 323.194 2.048 10 0 DEAELO CCNc1nc(N2CCCC2)nc(NCCC(F)(F)F)[nH+]1 ZINC000150077608 186054674 /nfs/dbraw/zinc/05/46/74/186054674.db2.gz BOWDQDMNXXPXJG-UHFFFAOYSA-N 1 2 304.320 2.268 10 0 DEAELO CCNc1nc(NCCC(F)(F)F)nc(N2CCCC2)[nH+]1 ZINC000150077608 186054677 /nfs/dbraw/zinc/05/46/77/186054677.db2.gz BOWDQDMNXXPXJG-UHFFFAOYSA-N 1 2 304.320 2.268 10 0 DEAELO CCNc1nc(NCCC(F)(F)F)[nH+]c(N2CCCC2)n1 ZINC000150077608 186054679 /nfs/dbraw/zinc/05/46/79/186054679.db2.gz BOWDQDMNXXPXJG-UHFFFAOYSA-N 1 2 304.320 2.268 10 0 DEAELO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1C[C@@H](O)C(F)(F)F ZINC000248970679 539777537 /nfs/dbraw/zinc/77/75/37/539777537.db2.gz CNILWCKHPMIXPJ-GXFFZTMASA-N 1 2 306.303 2.259 10 0 DEAELO C[C@H]1CN(c2ccccc2F)CC[N@H+]1C[C@@H](O)C(F)(F)F ZINC000248970679 539777540 /nfs/dbraw/zinc/77/75/40/539777540.db2.gz CNILWCKHPMIXPJ-GXFFZTMASA-N 1 2 306.303 2.259 10 0 DEAELO Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)n1 ZINC000152592568 186087896 /nfs/dbraw/zinc/08/78/96/186087896.db2.gz HPQAGZJBSUYRTB-CZUORRHYSA-N 1 2 313.405 2.379 10 0 DEAELO CCO[C@@H]1C[C@@H](N(C)C(=O)NCCn2cc[nH+]c2)C12CCCC2 ZINC000152755845 186099252 /nfs/dbraw/zinc/09/92/52/186099252.db2.gz XOKVPDAICINACF-HUUCEWRRSA-N 1 2 320.437 2.262 10 0 DEAELO O=C(Nc1cncc(Br)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC000155838543 186117112 /nfs/dbraw/zinc/11/71/12/186117112.db2.gz ATFHENPJDLKDSF-VIFPVBQESA-N 1 2 321.178 2.242 10 0 DEAELO Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccc3c(c1)OCCO3)C2 ZINC000163953226 186143329 /nfs/dbraw/zinc/14/33/29/186143329.db2.gz VLQCGDPUEWBDKG-NSHDSACASA-N 1 2 313.357 2.233 10 0 DEAELO Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccc3c(c1)OCCO3)CC2 ZINC000163953226 186143330 /nfs/dbraw/zinc/14/33/30/186143330.db2.gz VLQCGDPUEWBDKG-NSHDSACASA-N 1 2 313.357 2.233 10 0 DEAELO CCC1(C(=O)c2c(Br)cnn2C)CC[NH2+]CC1 ZINC000164231894 186153418 /nfs/dbraw/zinc/15/34/18/186153418.db2.gz FYMLOFMVXNCAIE-UHFFFAOYSA-N 1 2 300.200 2.145 10 0 DEAELO Cc1cc(Cl)ccc1C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000164411878 186158712 /nfs/dbraw/zinc/15/87/12/186158712.db2.gz MZABOCHQLJKVCX-CZUORRHYSA-N 1 2 322.836 2.441 10 0 DEAELO COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CSC)CC2)c1 ZINC000171590435 197948015 /nfs/dbraw/zinc/94/80/15/197948015.db2.gz NWEUOGDVUCZNMB-CYBMUJFWSA-N 1 2 308.447 2.263 10 0 DEAELO CC(=O)N1CCC(c2cccc(NC3CCOCC3)[nH+]2)CC1 ZINC000072365463 191134014 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ZINC000173870331 198262880 /nfs/dbraw/zinc/26/28/80/198262880.db2.gz SZMLCMLZLJTIRM-RDJZCZTQSA-N 1 2 302.418 2.096 10 0 DEAELO Cc1cc(C)cc(C(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173870127 198263010 /nfs/dbraw/zinc/26/30/10/198263010.db2.gz GDNDAIZKDJZRSM-DOTOQJQBSA-N 1 2 302.418 2.096 10 0 DEAELO CCOC(=O)CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173945467 198272266 /nfs/dbraw/zinc/27/22/66/198272266.db2.gz YFWSGPPLENPYLV-LBPRGKRZSA-N 1 2 301.346 2.003 10 0 DEAELO Cn1cc[nH+]c1[C@@H]1N(S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)CC1(C)C ZINC000333136308 282919697 /nfs/dbraw/zinc/91/96/97/282919697.db2.gz IPBFDAIPYLALJT-RFGFWPKPSA-N 1 2 323.462 2.321 10 0 DEAELO C[C@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@H](C)O1 ZINC000045492121 354256696 /nfs/dbraw/zinc/25/66/96/354256696.db2.gz MXZWPKXOXHGBMM-QWRGUYRKSA-N 1 2 322.796 2.307 10 0 DEAELO CC(C)c1noc(CCCNC(=O)c2ccc3[nH+]ccn3c2)n1 ZINC000068322979 354807914 /nfs/dbraw/zinc/80/79/14/354807914.db2.gz VQMSUEUAXVASGY-UHFFFAOYSA-N 1 2 313.361 2.203 10 0 DEAELO CCCC[C@@H]1CCC[C@H]1NC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000069767889 354876717 /nfs/dbraw/zinc/87/67/17/354876717.db2.gz WYUKRKHIQOGWEP-BZUAXINKSA-N 1 2 311.470 2.365 10 0 DEAELO c1cnn(Cc2noc(-c3ccc(Cn4cc[nH+]c4)cc3)n2)c1 ZINC000073343257 354955221 /nfs/dbraw/zinc/95/52/21/354955221.db2.gz FLXZEFPERIOVIS-UHFFFAOYSA-N 1 2 306.329 2.226 10 0 DEAELO C[C@H]1C[C@@H]1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000075507829 355090325 /nfs/dbraw/zinc/09/03/25/355090325.db2.gz GFIUVNWLJLDOPT-WFASDCNBSA-N 1 2 312.373 2.050 10 0 DEAELO O=C(Cc1ccc(Br)cc1)N1CCn2cc[nH+]c2C1 ZINC000074785224 191360991 /nfs/dbraw/zinc/36/09/91/191360991.db2.gz VGYBSSMLGFYLOS-UHFFFAOYSA-N 1 2 320.190 2.231 10 0 DEAELO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3[nH+]c(C)cn3c2)C1 ZINC000074748964 191355061 /nfs/dbraw/zinc/35/50/61/191355061.db2.gz SQXLQYGRSQSLGR-AWEZNQCLSA-N 1 2 315.373 2.058 10 0 DEAELO CC(C)NC(=O)N1CC[NH+]([C@@H]2CCOc3ccccc32)CC1 ZINC000074901692 191383151 /nfs/dbraw/zinc/38/31/51/191383151.db2.gz XFCKKOVCRPPSMZ-OAHLLOKOSA-N 1 2 303.406 2.246 10 0 DEAELO COc1ccc(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)c(OC)c1 ZINC000074920028 191386672 /nfs/dbraw/zinc/38/66/72/191386672.db2.gz ZKMQYDMZBMFAGT-MRXNPFEDSA-N 1 2 315.373 2.340 10 0 DEAELO COc1ccc(OC)c(NC(=O)[C@@H](c2cccnc2)[NH+](C)C)c1 ZINC000074920026 191386690 /nfs/dbraw/zinc/38/66/90/191386690.db2.gz XHFRJDJTNBPFGE-MRXNPFEDSA-N 1 2 315.373 2.340 10 0 DEAELO Cc1nc2cc(C(=O)N3CC[NH+](C)CC3)ccc2n1C(C)C ZINC000074957611 191396120 /nfs/dbraw/zinc/39/61/20/191396120.db2.gz JDRWXMOEIMQTTL-UHFFFAOYSA-N 1 2 300.406 2.313 10 0 DEAELO CCO[C@H](CCNC(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000074850868 191372066 /nfs/dbraw/zinc/37/20/66/191372066.db2.gz BUYYSOGVIDZXMV-OAHLLOKOSA-N 1 2 322.453 2.398 10 0 DEAELO COC(=O)Cn1ncc2c1nc[nH+]c2N1CCCC(C)(C)CC1 ZINC000078373454 355257228 /nfs/dbraw/zinc/25/72/28/355257228.db2.gz HGKMNYUECOVTKH-UHFFFAOYSA-N 1 2 317.393 2.016 10 0 DEAELO Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCCSCC1 ZINC000078942180 355286467 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