smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cncc(C[NH+]2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)c1 ZINC000000598829 557728060 /nfs/dbraw/zinc/72/80/60/557728060.db2.gz WUZYKBABMWJHDL-UHFFFAOYSA-N 1 1 415.968 5.635 50 0 world HKAAMO c1ccc2[nH]c(Nc3ccc(-c4ccc(Nc5[nH]c6ccccc6[nH+]5)cc4)cc3)nc2c1 ZINC000000640468 557032376 /nfs/dbraw/zinc/03/23/76/557032376.db2.gz DMCGYLOETYXJHG-UHFFFAOYSA-N 1 1 416.488 6.593 50 0 HKAAMO C[C@@]12CN(Cc3ccccc3Br)C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)C2 ZINC000000674510 557051510 /nfs/dbraw/zinc/05/15/10/557051510.db2.gz PLQAUTSTPBCGLO-ZRZAMGCNSA-N 1 1 413.403 5.183 50 0 HKAAMO CN(Cn1c2ccccc2n(C[N@H+](C)C2CCCCC2)c1=S)C1CCCCC1 ZINC000000711049 568465202 /nfs/dbraw/zinc/46/52/02/568465202.db2.gz KVLJWNBJNYIMGD-UHFFFAOYSA-N 1 1 400.636 5.616 50 0 HKAAMO CN(Cn1c2ccccc2n(C[N@@H+](C)C2CCCCC2)c1=S)C1CCCCC1 ZINC000000711049 568465203 /nfs/dbraw/zinc/46/52/03/568465203.db2.gz KVLJWNBJNYIMGD-UHFFFAOYSA-N 1 1 400.636 5.616 50 0 HKAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000000755523 557076817 /nfs/dbraw/zinc/07/68/17/557076817.db2.gz JWUIMICFERHLDV-IBGZPJMESA-N 1 1 402.623 5.068 50 0 HKAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1 ZINC000000755524 557077004 /nfs/dbraw/zinc/07/70/04/557077004.db2.gz JWUIMICFERHLDV-LJQANCHMSA-N 1 1 402.623 5.068 50 0 HKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCC2)cc1 ZINC000000756785 568472396 /nfs/dbraw/zinc/47/23/96/568472396.db2.gz BIAQCDZUEMTETC-UHFFFAOYSA-N 1 1 419.326 5.450 50 0 HKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCC2)c1 ZINC000000756787 568472408 /nfs/dbraw/zinc/47/24/08/568472408.db2.gz OWAYZMLJTJNUPY-UHFFFAOYSA-N 1 1 408.427 5.707 50 0 HKAAMO OC1(c2ccc(Br)cc2)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000000757792 557076905 /nfs/dbraw/zinc/07/69/05/557076905.db2.gz BBJBOCRMGSCICY-UHFFFAOYSA-N 1 1 415.158 5.240 50 0 HKAAMO O=C(C[NH+]1CCCCC1)Nc1c2c(nc3ccccc31)N(c1cccc(Cl)c1)CC2 ZINC000000758227 557077266 /nfs/dbraw/zinc/07/72/66/557077266.db2.gz HSQNBRBEESPQOF-UHFFFAOYSA-N 1 1 420.944 5.007 50 0 HKAAMO Cc1cc2c(cc1C)N(C(=O)C[NH+]1CCCCC1)C(C)(C)c1ssc(=S)c1-2 ZINC000000841628 525591620 /nfs/dbraw/zinc/59/16/20/525591620.db2.gz WHPCVWJKCRXIDC-UHFFFAOYSA-N 1 1 418.653 5.891 50 0 HKAAMO O=C(C[NH+]1CCCCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000848792 291298394 /nfs/dbraw/zinc/29/83/94/291298394.db2.gz BYIUAKQEWUPRQD-UHFFFAOYSA-N 1 1 406.473 5.711 50 0 biogenic HKAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1OCC(C)C ZINC000000856867 557102985 /nfs/dbraw/zinc/10/29/85/557102985.db2.gz JSXHJZHAZDOQRY-QFIPXVFZSA-N 1 1 424.585 5.013 50 0 HKAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cc1OCC(C)C ZINC000000856868 557103080 /nfs/dbraw/zinc/10/30/80/557103080.db2.gz JSXHJZHAZDOQRY-JOCHJYFZSA-N 1 1 424.585 5.013 50 0 HKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(OC)c2)cc1 ZINC000000856885 557103133 /nfs/dbraw/zinc/10/31/33/557103133.db2.gz VVPCVVZIXRJYPS-UHFFFAOYSA-N 1 1 419.521 5.068 50 0 biogenic HKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(OC)cc2)cc1 ZINC000000856886 557103060 /nfs/dbraw/zinc/10/30/60/557103060.db2.gz SKTKLAIYDVFVFX-UHFFFAOYSA-N 1 1 419.521 5.068 50 0 biogenic HKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(CC)cc2)cc1 ZINC000000856892 557103073 /nfs/dbraw/zinc/10/30/73/557103073.db2.gz PMFRHYULUAJIEK-UHFFFAOYSA-N 1 1 417.549 5.621 50 0 HKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(F)cc2)cc1 ZINC000000856894 557103010 /nfs/dbraw/zinc/10/30/10/557103010.db2.gz SUJYCHNFMXHEEH-UHFFFAOYSA-N 1 1 407.485 5.198 50 0 HKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(C)c2)cc1 ZINC000000856904 557103124 /nfs/dbraw/zinc/10/31/24/557103124.db2.gz VSQRNEUSSTZOHV-UHFFFAOYSA-N 1 1 403.522 5.367 50 0 HKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(C)cc2)cc1 ZINC000000856906 557102996 /nfs/dbraw/zinc/10/29/96/557102996.db2.gz GWHPTTXHJXGPKT-UHFFFAOYSA-N 1 1 403.522 5.367 50 0 HKAAMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)cc1 ZINC000000904244 568749561 /nfs/dbraw/zinc/74/95/61/568749561.db2.gz BBPHWFCPKGQFCT-UHFFFAOYSA-N 1 1 400.320 5.517 50 0 HKAAMO COc1ccc(C(=O)Nc2sc(C)c(C)c2C[N@H+]2CCc3ccccc3C2)cc1 ZINC000000938001 568752088 /nfs/dbraw/zinc/75/20/88/568752088.db2.gz FAIGVFDSKRSPHB-UHFFFAOYSA-N 1 1 406.551 5.184 50 0 HKAAMO COc1cc([C@H](Nc2cc(C)cc[nH+]2)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000000956938 568757778 /nfs/dbraw/zinc/75/77/78/568757778.db2.gz QHAJALHBVLWHFZ-DEOSSOPVSA-N 1 1 417.509 5.407 50 0 HKAAMO COc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2c(C)[nH]c3ccccc32)cc(OC)c1OC ZINC000000956939 568757788 /nfs/dbraw/zinc/75/77/88/568757788.db2.gz QHAJALHBVLWHFZ-XMMPIXPASA-N 1 1 417.509 5.407 50 0 HKAAMO Cc1cc(Nc2ccc(Br)cc2)c2c(N)c(Br)cc(C)c2[nH+]1 ZINC000000980147 568760361 /nfs/dbraw/zinc/76/03/61/568760361.db2.gz IKVAFYQOZZGEKR-UHFFFAOYSA-N 1 1 421.136 5.702 50 0 HKAAMO O=C(c1cc(Cl)cc(Cl)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000001040374 132235624 /nfs/dbraw/zinc/23/56/24/132235624.db2.gz AZWFOYGUSXXRLY-UHFFFAOYSA-N 1 1 420.727 5.157 50 0 HKAAMO Nc1[nH+]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2CCc1ccc(F)cc1 ZINC000001123325 557193155 /nfs/dbraw/zinc/19/31/55/557193155.db2.gz XUCWAQJLABOECW-UHFFFAOYSA-N 1 1 408.480 5.729 50 0 HKAAMO COc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)C[NH+]1CCCCC1 ZINC000001217182 132242752 /nfs/dbraw/zinc/24/27/52/132242752.db2.gz MOWZLAZRWDAETA-UHFFFAOYSA-N 1 1 420.625 5.282 50 0 HKAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000001227207 569060335 /nfs/dbraw/zinc/06/03/35/569060335.db2.gz MNPXOZYKXJWBQN-UHFFFAOYSA-N 1 1 409.913 5.708 50 0 biogenic HKAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cccc(Oc3ccc(Cl)cc3)c1)CC2 ZINC000001227207 569060336 /nfs/dbraw/zinc/06/03/36/569060336.db2.gz MNPXOZYKXJWBQN-UHFFFAOYSA-N 1 1 409.913 5.708 50 0 biogenic HKAAMO CC[C@@]1(C)C[C@@]2(CCC[N@@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000001246586 568908653 /nfs/dbraw/zinc/90/86/53/568908653.db2.gz GQLQFNCLQFWVRE-IZZNHLLZSA-N 1 1 407.598 5.374 50 0 HKAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)cc2Cl)o1 ZINC000001256632 568909143 /nfs/dbraw/zinc/90/91/43/568909143.db2.gz SUAYJSUNXOUJLR-INIZCTEOSA-N 1 1 419.337 5.393 50 0 HKAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2c(Cl)cccc2Cl)o1 ZINC000001267706 568909478 /nfs/dbraw/zinc/90/94/78/568909478.db2.gz SIJVSJKMHZXFAO-INIZCTEOSA-N 1 1 419.337 5.393 50 0 HKAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 ZINC000001292370 568912789 /nfs/dbraw/zinc/91/27/89/568912789.db2.gz FOMZEBIEBOYKJM-INIZCTEOSA-N 1 1 419.337 5.393 50 0 HKAAMO FC(F)(F)c1cnc(NCC[N@H+]2CCC3=C(CCc4ccccc43)C2)c(Cl)c1 ZINC000001401403 568927222 /nfs/dbraw/zinc/92/72/22/568927222.db2.gz HXZSRNWPGIMMNE-UHFFFAOYSA-N 1 1 407.867 5.271 50 0 HKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC2=CCCCC2)cc1 ZINC000001447525 557266577 /nfs/dbraw/zinc/26/65/77/557266577.db2.gz WPBGQZAMJWOAHU-UHFFFAOYSA-N 1 1 412.512 6.529 50 0 HKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2NCc2ccc3c(c2)OCO3)n1-c1ccccc1 ZINC000001447531 557266584 /nfs/dbraw/zinc/26/65/84/557266584.db2.gz CZTWHSCZHBOBLZ-UHFFFAOYSA-N 1 1 420.472 5.428 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)cc1Cl ZINC000001447559 557266649 /nfs/dbraw/zinc/26/66/49/557266649.db2.gz WPUCXKPMLXSVMB-LJQANCHMSA-N 1 1 418.928 5.640 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)cc1Cl ZINC000001447560 557266613 /nfs/dbraw/zinc/26/66/13/557266613.db2.gz WPUCXKPMLXSVMB-IBGZPJMESA-N 1 1 418.928 5.640 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccco2)cc1Cl ZINC000001447561 557266981 /nfs/dbraw/zinc/26/69/81/557266981.db2.gz UGQREVOBOOZWCJ-UHFFFAOYSA-N 1 1 414.896 6.254 50 0 HKAAMO COC(CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)OC ZINC000001447563 557267010 /nfs/dbraw/zinc/26/70/10/557267010.db2.gz AIPZSYFGROOQQX-UHFFFAOYSA-N 1 1 422.916 5.080 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC2=CCCCC2)c1 ZINC000001447568 557267032 /nfs/dbraw/zinc/26/70/32/557267032.db2.gz GZHXFYYUIMXQRR-UHFFFAOYSA-N 1 1 408.549 6.698 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)cc1 ZINC000001447590 557266848 /nfs/dbraw/zinc/26/68/48/557266848.db2.gz SFMKCGGVWSZIFA-UHFFFAOYSA-N 1 1 411.896 5.748 50 0 HKAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000001447593 132246284 /nfs/dbraw/zinc/24/62/84/132246284.db2.gz APJYHERCIDOZRE-IAGOWNOFSA-N 1 1 418.928 5.355 50 0 HKAAMO C[C@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000001447594 132246290 /nfs/dbraw/zinc/24/62/90/132246290.db2.gz APJYHERCIDOZRE-IRXDYDNUSA-N 1 1 418.928 5.355 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)cc1 ZINC000001447596 557266832 /nfs/dbraw/zinc/26/68/32/557266832.db2.gz FCCCBFZSEVGVMH-LJQANCHMSA-N 1 1 404.901 5.332 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)cc1 ZINC000001447597 557266884 /nfs/dbraw/zinc/26/68/84/557266884.db2.gz FCCCBFZSEVGVMH-IBGZPJMESA-N 1 1 404.901 5.332 50 0 HKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccco2)c1 ZINC000001447617 557267005 /nfs/dbraw/zinc/26/70/05/557267005.db2.gz WXKONZQFLGIMTK-UHFFFAOYSA-N 1 1 400.869 5.946 50 0 HKAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000001447619 132246326 /nfs/dbraw/zinc/24/63/26/132246326.db2.gz RNEFFOIJRPZVFW-IAGOWNOFSA-N 1 1 418.928 5.355 50 0 HKAAMO C[C@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000001447620 132246337 /nfs/dbraw/zinc/24/63/37/132246337.db2.gz RNEFFOIJRPZVFW-IRXDYDNUSA-N 1 1 418.928 5.355 50 0 HKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)c1 ZINC000001447623 557266892 /nfs/dbraw/zinc/26/68/92/557266892.db2.gz FNONCBXQNHTCBR-UHFFFAOYSA-N 1 1 411.896 5.748 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)cc1 ZINC000001447632 557266878 /nfs/dbraw/zinc/26/68/78/557266878.db2.gz NQJUFLHJGWNGDK-UHFFFAOYSA-N 1 1 407.477 5.103 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000001447637 557267040 /nfs/dbraw/zinc/26/70/40/557267040.db2.gz HJNRMKMYHZCPIE-UHFFFAOYSA-N 1 1 420.516 5.751 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)cc1 ZINC000001447650 557266857 /nfs/dbraw/zinc/26/68/57/557266857.db2.gz OYKWXJXCHMDXPW-UHFFFAOYSA-N 1 1 407.477 5.103 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2)cc1 ZINC000001447653 568985517 /nfs/dbraw/zinc/98/55/17/568985517.db2.gz UQQHFGYIEMXSCM-UHFFFAOYSA-N 1 1 406.489 5.708 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc(F)cc2)cc1 ZINC000001447655 557267017 /nfs/dbraw/zinc/26/70/17/557267017.db2.gz UGPUEDWXURAFJK-UHFFFAOYSA-N 1 1 424.479 5.847 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccco2)cc1 ZINC000001447706 557266993 /nfs/dbraw/zinc/26/69/93/557266993.db2.gz MHOHLOXKSDJONU-UHFFFAOYSA-N 1 1 400.869 5.946 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccs2)cc1 ZINC000001447707 568985760 /nfs/dbraw/zinc/98/57/60/568985760.db2.gz LLGMPMTWHLCZRR-UHFFFAOYSA-N 1 1 416.937 6.415 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccn2)cc1 ZINC000001447735 568985616 /nfs/dbraw/zinc/98/56/16/568985616.db2.gz XKALPUIFAIDVSF-UHFFFAOYSA-N 1 1 421.504 5.493 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@H]2CCCO2)cc1 ZINC000001447740 568985714 /nfs/dbraw/zinc/98/57/14/568985714.db2.gz ALSOTDFNRXSEJA-OAQYLSRUSA-N 1 1 414.509 5.077 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC[C@@H]2CCCO2)cc1 ZINC000001447741 568985684 /nfs/dbraw/zinc/98/56/84/568985684.db2.gz ALSOTDFNRXSEJA-NRFANRHFSA-N 1 1 414.509 5.077 50 0 HKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2)cc1 ZINC000001456140 568987125 /nfs/dbraw/zinc/98/71/25/568987125.db2.gz YIYDVUUXRLWHAL-UHFFFAOYSA-N 1 1 423.940 5.712 50 0 HKAAMO Clc1ccc2c(c1)N([C@H]1CCC[N@@H+](Cc3ccccc3)C1)c1ccccc1S2 ZINC000001553155 132247024 /nfs/dbraw/zinc/24/70/24/132247024.db2.gz HRNUQLNMNFLJNC-FQEVSTJZSA-N 1 1 406.982 6.607 50 0 HKAAMO Clc1ccc2c(c1)N([C@@H]1CCC[N@@H+](Cc3ccccc3)C1)c1ccccc1S2 ZINC000001553156 132247210 /nfs/dbraw/zinc/24/72/10/132247210.db2.gz HRNUQLNMNFLJNC-HXUWFJFHSA-N 1 1 406.982 6.607 50 0 HKAAMO COC(=O)CN1C(c2ccc(OC)cc2)=[NH+]c2ccc(Cl)cc2[C@H]1c1ccccc1 ZINC000001794286 569053257 /nfs/dbraw/zinc/05/32/57/569053257.db2.gz OMIWVZGQMXEZLZ-HSZRJFAPSA-N 1 1 420.896 5.005 50 0 HKAAMO COC(=O)CN1C(c2ccc(OC)cc2)=[NH+]c2ccc(Cl)cc2[C@@H]1c1ccccc1 ZINC000001794289 569053299 /nfs/dbraw/zinc/05/32/99/569053299.db2.gz OMIWVZGQMXEZLZ-QHCPKHFHSA-N 1 1 420.896 5.005 50 0 HKAAMO CCOC(=O)c1c(C)n(-c2ccc([NH+](CC)CC)cc2)c2c1cc(O)c1ccccc21 ZINC000001808431 569053690 /nfs/dbraw/zinc/05/36/90/569053690.db2.gz WEHYXLNETGENJT-UHFFFAOYSA-N 1 1 416.521 5.821 50 0 HKAAMO Clc1ccc2c(c1)N(CCC[N@H+]1CCCC13CCCCC3)c1ccccc1S2 ZINC000001843302 132248122 /nfs/dbraw/zinc/24/81/22/132248122.db2.gz JGALTZABCXYMHO-UHFFFAOYSA-N 1 1 413.030 7.132 50 0 in-vitro HKAAMO CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 ZINC000001873743 569056783 /nfs/dbraw/zinc/05/67/83/569056783.db2.gz JZPFBQTVTHEIAT-HLMLHLEXSA-N 1 1 418.666 5.327 50 0 biogenic HKAAMO CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C[NH+]1CCCCCC1 ZINC000001930839 568841164 /nfs/dbraw/zinc/84/11/64/568841164.db2.gz NVTHLNKCICXMKC-UHFFFAOYSA-N 1 1 420.962 5.060 50 0 HKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1 ZINC000002068446 557306419 /nfs/dbraw/zinc/30/64/19/557306419.db2.gz AKYOANGHVSSQPV-UHFFFAOYSA-N 1 1 422.532 6.619 50 0 HKAAMO C[NH+](C)C1(c2nnnn2[C@H](/C=C/c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 ZINC000002181932 569293602 /nfs/dbraw/zinc/29/36/02/569293602.db2.gz HMFZJGNSWBAPTK-SXAWMYDMSA-N 1 1 422.404 5.611 50 0 HKAAMO C[NH+](C)C1(c2nnnn2[C@@H](/C=C/c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 ZINC000002181934 569293596 /nfs/dbraw/zinc/29/35/96/569293596.db2.gz HMFZJGNSWBAPTK-CKDFRHGISA-N 1 1 422.404 5.611 50 0 HKAAMO CC(C)c1cc(C(C)C)c(S(=O)(=O)N(C)CC[N@@H+](C)C(C)(C)C)c(C(C)C)c1 ZINC000002183337 569293541 /nfs/dbraw/zinc/29/35/41/569293541.db2.gz HLZHZAZTQOFBOO-UHFFFAOYSA-N 1 1 410.668 5.408 50 0 HKAAMO COc1ccc2c(c1)c(C(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c(C)n2Cc1ccccc1 ZINC000002249669 569324566 /nfs/dbraw/zinc/32/45/66/569324566.db2.gz FXYHGMRVYYMCIG-KDURUIRLSA-N 1 1 404.554 5.167 50 0 HKAAMO OCCCNc1[nH+]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1 ZINC000002250888 569323938 /nfs/dbraw/zinc/32/39/38/569323938.db2.gz OHSRWIAQIUKMHH-UHFFFAOYSA-N 1 1 424.504 5.201 50 0 HKAAMO OCCNc1[nH+]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 ZINC000002260060 569324941 /nfs/dbraw/zinc/32/49/41/569324941.db2.gz ZMEBEMLDVSRXPK-UHFFFAOYSA-N 1 1 420.516 5.218 50 0 HKAAMO COc1ccc2c(c1)c(C(=O)C[N@@H+]1CCCC(C)(C)C1)c(C)n2Cc1ccccc1 ZINC000002275477 569327748 /nfs/dbraw/zinc/32/77/48/569327748.db2.gz XNRNINJQHSIMSB-UHFFFAOYSA-N 1 1 404.554 5.311 50 0 HKAAMO COc1ccc2c(c1)c(C(=O)C[N@H+]1CCCC(C)(C)C1)c(C)n2Cc1ccccc1 ZINC000002275477 569327750 /nfs/dbraw/zinc/32/77/50/569327750.db2.gz XNRNINJQHSIMSB-UHFFFAOYSA-N 1 1 404.554 5.311 50 0 HKAAMO Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)C[NH+]1CCC(C)CC1 ZINC000002295465 132251762 /nfs/dbraw/zinc/25/17/62/132251762.db2.gz AKZJGVGSICJHBX-UHFFFAOYSA-N 1 1 418.653 5.828 50 0 HKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000002372856 569389258 /nfs/dbraw/zinc/38/92/58/569389258.db2.gz DGYUKDSGLVGPFP-ZEQRLZLVSA-N 1 1 424.529 5.213 50 0 HKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000002372858 569389284 /nfs/dbraw/zinc/38/92/84/569389284.db2.gz DGYUKDSGLVGPFP-BJKOFHAPSA-N 1 1 424.529 5.213 50 0 HKAAMO CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000002372859 569389253 /nfs/dbraw/zinc/38/92/53/569389253.db2.gz DGYUKDSGLVGPFP-RPWUZVMVSA-N 1 1 424.529 5.213 50 0 HKAAMO CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000002372862 569389233 /nfs/dbraw/zinc/38/92/33/569389233.db2.gz DGYUKDSGLVGPFP-DNQXCXABSA-N 1 1 424.529 5.213 50 0 HKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2C)cc1 ZINC000002542249 557355539 /nfs/dbraw/zinc/35/55/39/557355539.db2.gz ZRFPJWMWNHCZAD-JWQCQUIFSA-N 1 1 406.489 5.108 50 0 HKAAMO CCc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002542294 557355409 /nfs/dbraw/zinc/35/54/09/557355409.db2.gz WHHGDRWNLWDZGL-CLJLJLNGSA-N 1 1 420.516 5.362 50 0 HKAAMO CCc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002542296 557355588 /nfs/dbraw/zinc/35/55/88/557355588.db2.gz BLSZAHCACSVSKA-JWQCQUIFSA-N 1 1 424.479 5.192 50 0 HKAAMO COc1cccc(OC)c1-c1ccccc1[PH+](C1CCCCC1)C1CCCCC1 ZINC000002553985 557356019 /nfs/dbraw/zinc/35/60/19/557356019.db2.gz VNFWTIYUKDMAOP-UHFFFAOYSA-N 1 1 410.538 7.143 50 0 HKAAMO C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002624232 568788794 /nfs/dbraw/zinc/78/87/94/568788794.db2.gz SEQOJOCOZSWYNG-IBGZPJMESA-N 1 1 416.348 5.455 50 0 HKAAMO C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 ZINC000002624234 568788840 /nfs/dbraw/zinc/78/88/40/568788840.db2.gz SEQOJOCOZSWYNG-LJQANCHMSA-N 1 1 416.348 5.455 50 0 HKAAMO COc1ccc(CC[N@@H+](C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000002633057 568791397 /nfs/dbraw/zinc/79/13/97/568791397.db2.gz KCGHOHPPYMYYOS-UHFFFAOYSA-N 1 1 413.602 5.679 50 0 HKAAMO Cc1sc2nc(C[NH+]3CCCCC3)nc(Nc3ccc(OC(F)F)cc3)c2c1C ZINC000002638920 568793105 /nfs/dbraw/zinc/79/31/05/568793105.db2.gz ZVEXFHMKHNAORJ-UHFFFAOYSA-N 1 1 418.513 5.639 50 0 HKAAMO N=C1c2ccccc2CN1c1ccc(-c2ccc(N3Cc4ccccc4C3=[NH2+])cc2)cc1 ZINC000002645160 568794799 /nfs/dbraw/zinc/79/47/99/568794799.db2.gz PARHYKVOERQIHO-UHFFFAOYSA-N 1 1 414.512 6.045 50 0 HKAAMO O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2NC2=[NH+]CCCCC2)cc1 ZINC000002659763 560587313 /nfs/dbraw/zinc/58/73/13/560587313.db2.gz URTIPVUFFQVDCZ-UHFFFAOYSA-N 1 1 418.924 6.748 50 0 HKAAMO Cc1sc2nc(C[NH2+]Cc3ccc(C)cc3)nc(NCc3ccc(C)cc3)c2c1C ZINC000002661626 560587393 /nfs/dbraw/zinc/58/73/93/560587393.db2.gz KBPJZUMSMDEABY-UHFFFAOYSA-N 1 1 416.594 5.827 50 0 HKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccs2)cc1 ZINC000002707219 557744046 /nfs/dbraw/zinc/74/40/46/557744046.db2.gz ZZRPWLZSZWLDMI-GOTSBHOMSA-N 1 1 412.518 5.169 50 0 HKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccs2)cc1 ZINC000002707222 557744131 /nfs/dbraw/zinc/74/41/31/557744131.db2.gz ZZRPWLZSZWLDMI-PKTZIBPZSA-N 1 1 412.518 5.169 50 0 HKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccs2)cc1 ZINC000002707224 557744097 /nfs/dbraw/zinc/74/40/97/557744097.db2.gz ZZRPWLZSZWLDMI-XZOQPEGZSA-N 1 1 412.518 5.169 50 0 HKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccs2)cc1 ZINC000002707226 557744108 /nfs/dbraw/zinc/74/41/08/557744108.db2.gz ZZRPWLZSZWLDMI-DHIUTWEWSA-N 1 1 412.518 5.169 50 0 HKAAMO C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC000002713967 132257057 /nfs/dbraw/zinc/25/70/57/132257057.db2.gz ALZDHBBYPLYFCI-QZTJIDSGSA-N 1 1 400.501 5.709 50 0 HKAAMO C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC000002713970 132257082 /nfs/dbraw/zinc/25/70/82/132257082.db2.gz ALZDHBBYPLYFCI-ROUUACIJSA-N 1 1 400.501 5.709 50 0 HKAAMO COc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002713977 557749100 /nfs/dbraw/zinc/74/91/00/557749100.db2.gz ZZFGFIFVCSELFZ-UHFFFAOYSA-N 1 1 424.479 5.847 50 0 HKAAMO Cc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002713980 557749172 /nfs/dbraw/zinc/74/91/72/557749172.db2.gz ILDSGDXWOSWNCL-UHFFFAOYSA-N 1 1 408.480 6.147 50 0 HKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000002713982 557749051 /nfs/dbraw/zinc/74/90/51/557749051.db2.gz VGQPYIHZXOYXCZ-UHFFFAOYSA-N 1 1 408.480 5.881 50 0 HKAAMO Fc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 ZINC000002714012 557749084 /nfs/dbraw/zinc/74/90/84/557749084.db2.gz MEZXADSBALFLMZ-UHFFFAOYSA-N 1 1 412.443 5.978 50 0 HKAAMO CN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)C1CCCCC1 ZINC000002714026 557749135 /nfs/dbraw/zinc/74/91/35/557749135.db2.gz FGCCDQXRAHYXRT-UHFFFAOYSA-N 1 1 400.501 5.996 50 0 HKAAMO COc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002714051 557749192 /nfs/dbraw/zinc/74/91/92/557749192.db2.gz MVIZGONOJMXBFO-UHFFFAOYSA-N 1 1 406.489 5.708 50 0 HKAAMO COc1ccccc1CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714106 557749180 /nfs/dbraw/zinc/74/91/80/557749180.db2.gz ASUVZSCYNDLPNY-UHFFFAOYSA-N 1 1 406.489 5.708 50 0 HKAAMO Clc1cccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 ZINC000002714109 557749073 /nfs/dbraw/zinc/74/90/73/557749073.db2.gz LXJCPXIVUVKUCD-UHFFFAOYSA-N 1 1 410.908 6.353 50 0 HKAAMO Clc1ccccc1CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714134 557749141 /nfs/dbraw/zinc/74/91/41/557749141.db2.gz OSBBUTDEUYAJCF-UHFFFAOYSA-N 1 1 410.908 6.353 50 0 HKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)c1 ZINC000002714150 132257089 /nfs/dbraw/zinc/25/70/89/132257089.db2.gz NMLBGXKRXWXTBB-UHFFFAOYSA-N 1 1 422.454 6.097 50 0 HKAAMO COCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714152 557749067 /nfs/dbraw/zinc/74/90/67/557749067.db2.gz FUHHATSWCPWZSG-UHFFFAOYSA-N 1 1 412.415 5.165 50 0 HKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCC2)c1 ZINC000002714184 557749111 /nfs/dbraw/zinc/74/91/11/557749111.db2.gz RGVQGIFFNLLOOZ-UHFFFAOYSA-N 1 1 422.454 6.461 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCC2)cc1Cl ZINC000002714206 132257100 /nfs/dbraw/zinc/25/71/00/132257100.db2.gz FYHXAOCDEOPZKJ-UHFFFAOYSA-N 1 1 402.929 6.040 50 0 HKAAMO COCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000002714215 557749176 /nfs/dbraw/zinc/74/91/76/557749176.db2.gz MLARQIUYVVJKLG-UHFFFAOYSA-N 1 1 406.917 5.498 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCC2)cc1Cl ZINC000002714241 557749094 /nfs/dbraw/zinc/74/90/94/557749094.db2.gz CDBPGGKWNBNNNR-UHFFFAOYSA-N 1 1 402.929 6.404 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc(F)cc2)c1 ZINC000002714272 557749078 /nfs/dbraw/zinc/74/90/78/557749078.db2.gz OZDWXNKRSKLPMU-UHFFFAOYSA-N 1 1 408.480 6.147 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccc(Cl)c2)c1 ZINC000002714279 557749106 /nfs/dbraw/zinc/74/91/06/557749106.db2.gz ZJHSICYATOWUAW-UHFFFAOYSA-N 1 1 424.935 6.661 50 0 HKAAMO Cc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 ZINC000002714289 557749187 /nfs/dbraw/zinc/74/91/87/557749187.db2.gz WRKPKJQSDGXOFI-UHFFFAOYSA-N 1 1 404.517 6.316 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)c1 ZINC000002714309 557749124 /nfs/dbraw/zinc/74/91/24/557749124.db2.gz BSASBHUXGMEMKJ-UHFFFAOYSA-N 1 1 424.935 6.661 50 0 HKAAMO Cc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 ZINC000002714344 557749437 /nfs/dbraw/zinc/74/94/37/557749437.db2.gz RHUYQARWVDQHGV-UHFFFAOYSA-N 1 1 404.517 6.316 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000002714356 557749478 /nfs/dbraw/zinc/74/94/78/557749478.db2.gz BVHUSVVAAOTSML-IRLDBZIGSA-N 1 1 424.592 7.023 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000002714359 557749483 /nfs/dbraw/zinc/74/94/83/557749483.db2.gz BVHUSVVAAOTSML-IFMALSPDSA-N 1 1 424.592 7.023 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000002714362 557749405 /nfs/dbraw/zinc/74/94/05/557749405.db2.gz BVHUSVVAAOTSML-UNMCSNQZSA-N 1 1 424.592 7.023 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000002714364 557749466 /nfs/dbraw/zinc/74/94/66/557749466.db2.gz BVHUSVVAAOTSML-RBBKRZOGSA-N 1 1 424.592 7.023 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccc(F)cc2)cc1 ZINC000002714376 557749350 /nfs/dbraw/zinc/74/93/50/557749350.db2.gz PPBHVUOYTJWSNH-UHFFFAOYSA-N 1 1 408.480 6.147 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccc(Cl)c2)cc1 ZINC000002714385 557749427 /nfs/dbraw/zinc/74/94/27/557749427.db2.gz URVDCEYIUUXMOK-UHFFFAOYSA-N 1 1 424.935 6.661 50 0 HKAAMO CC1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000002714404 132257045 /nfs/dbraw/zinc/25/70/45/132257045.db2.gz GVOSLOJXZOHVRB-UHFFFAOYSA-N 1 1 402.929 5.977 50 0 HKAAMO C[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 ZINC000002714409 132257103 /nfs/dbraw/zinc/25/71/03/132257103.db2.gz BPJIPMXEDFWHOR-KRWDZBQOSA-N 1 1 402.929 5.977 50 0 HKAAMO C[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 ZINC000002714411 132257096 /nfs/dbraw/zinc/25/70/96/132257096.db2.gz BPJIPMXEDFWHOR-QGZVFWFLSA-N 1 1 402.929 5.977 50 0 HKAAMO C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 ZINC000002714426 132257072 /nfs/dbraw/zinc/25/70/72/132257072.db2.gz MRFTYVLARGHQCE-QZTJIDSGSA-N 1 1 416.956 6.223 50 0 HKAAMO C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 ZINC000002714428 132257048 /nfs/dbraw/zinc/25/70/48/132257048.db2.gz MRFTYVLARGHQCE-ROUUACIJSA-N 1 1 416.956 6.223 50 0 HKAAMO Cc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 ZINC000002714437 557749487 /nfs/dbraw/zinc/74/94/87/557749487.db2.gz IESGOUBFVOAMEQ-UHFFFAOYSA-N 1 1 424.935 6.661 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000002714442 557749411 /nfs/dbraw/zinc/74/94/11/557749411.db2.gz RPCUDYKUKKOQBZ-UHFFFAOYSA-N 1 1 402.929 6.121 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCCC2)cc1 ZINC000002714446 557749446 /nfs/dbraw/zinc/74/94/46/557749446.db2.gz KGCXJLPLISCGNA-UHFFFAOYSA-N 1 1 416.956 6.876 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2)cc1 ZINC000002714450 557749451 /nfs/dbraw/zinc/74/94/51/557749451.db2.gz HLGIABKXTVQVPZ-UHFFFAOYSA-N 1 1 410.908 6.353 50 0 HKAAMO CCCN(CCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002714488 557749340 /nfs/dbraw/zinc/74/93/40/557749340.db2.gz HLIZGOZGYJIUDI-UHFFFAOYSA-N 1 1 404.945 6.367 50 0 HKAAMO CC(C)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714519 557749494 /nfs/dbraw/zinc/74/94/94/557749494.db2.gz FTFUPQHGXOOWLQ-UHFFFAOYSA-N 1 1 421.342 5.918 50 0 HKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002714529 557749456 /nfs/dbraw/zinc/74/94/56/557749456.db2.gz KCJDGWSCAPIYRD-UHFFFAOYSA-N 1 1 421.342 6.062 50 0 HKAAMO CC1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000002714595 132257119 /nfs/dbraw/zinc/25/71/19/132257119.db2.gz IHWSWUVNJVOIET-UHFFFAOYSA-N 1 1 402.929 5.977 50 0 HKAAMO C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 ZINC000002714603 132257052 /nfs/dbraw/zinc/25/70/52/132257052.db2.gz CCCAKUMDNMGWBG-QZTJIDSGSA-N 1 1 416.956 6.223 50 0 HKAAMO C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 ZINC000002714605 132257069 /nfs/dbraw/zinc/25/70/69/132257069.db2.gz CCCAKUMDNMGWBG-ROUUACIJSA-N 1 1 416.956 6.223 50 0 HKAAMO Cc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000002714615 557749677 /nfs/dbraw/zinc/74/96/77/557749677.db2.gz BMBFJEFCIHKNMT-UHFFFAOYSA-N 1 1 424.935 6.661 50 0 HKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccccc2)c1 ZINC000002714631 557749772 /nfs/dbraw/zinc/74/97/72/557749772.db2.gz XHIGMTXXOWNWNE-UHFFFAOYSA-N 1 1 424.935 6.396 50 0 HKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)c1 ZINC000002714639 557749737 /nfs/dbraw/zinc/74/97/37/557749737.db2.gz DXDKPCAMABXOIG-UHFFFAOYSA-N 1 1 402.929 6.121 50 0 HKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCC2)c1 ZINC000002714655 557749793 /nfs/dbraw/zinc/74/97/93/557749793.db2.gz QIGALIMVJYDWIC-UHFFFAOYSA-N 1 1 402.929 6.486 50 0 HKAAMO CCCN(CCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 ZINC000002714672 557749849 /nfs/dbraw/zinc/74/98/49/557749849.db2.gz QCKSJVRALCUDOP-UHFFFAOYSA-N 1 1 404.945 6.367 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000002714684 132257112 /nfs/dbraw/zinc/25/71/12/132257112.db2.gz IUXVSJBKGZUBPX-RTBURBONSA-N 1 1 412.537 5.578 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000002714686 132257109 /nfs/dbraw/zinc/25/71/09/132257109.db2.gz 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CC(C)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002714851 557749659 /nfs/dbraw/zinc/74/96/59/557749659.db2.gz HWJNFJGEILFOHN-UHFFFAOYSA-N 1 1 410.443 6.174 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(C)CC2)cc1Cl ZINC000002714894 132257094 /nfs/dbraw/zinc/25/70/94/132257094.db2.gz AQTQMTPHTHHPKQ-UHFFFAOYSA-N 1 1 416.956 6.286 50 0 HKAAMO CCCN(CCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000002714907 557749810 /nfs/dbraw/zinc/74/98/10/557749810.db2.gz XJFSLKRDUWQQGI-UHFFFAOYSA-N 1 1 418.972 6.676 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000002714917 568802312 /nfs/dbraw/zinc/80/23/12/568802312.db2.gz POPIZNUTAKRJLD-IRLDBZIGSA-N 1 1 424.592 7.023 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000002714919 568802374 /nfs/dbraw/zinc/80/23/74/568802374.db2.gz POPIZNUTAKRJLD-IFMALSPDSA-N 1 1 424.592 7.023 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000002714922 568802363 /nfs/dbraw/zinc/80/23/63/568802363.db2.gz POPIZNUTAKRJLD-UNMCSNQZSA-N 1 1 424.592 7.023 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N[C@@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000002714925 568802299 /nfs/dbraw/zinc/80/22/99/568802299.db2.gz POPIZNUTAKRJLD-RBBKRZOGSA-N 1 1 424.592 7.023 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccccc2)c1 ZINC000002714937 557750039 /nfs/dbraw/zinc/75/00/39/557750039.db2.gz CXZGRWAYEAHSJL-UHFFFAOYSA-N 1 1 404.517 6.051 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000002714967 557749992 /nfs/dbraw/zinc/74/99/92/557749992.db2.gz HRHWTMSODSTPBW-UHFFFAOYSA-N 1 1 404.517 6.051 50 0 HKAAMO CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002715023 557750000 /nfs/dbraw/zinc/75/00/00/557750000.db2.gz FBXQMAVVUYGMPM-UHFFFAOYSA-N 1 1 407.315 5.672 50 0 HKAAMO C[C@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 ZINC000002715104 132257065 /nfs/dbraw/zinc/25/70/65/132257065.db2.gz AZBZRLJYOGHWGK-KRWDZBQOSA-N 1 1 402.929 5.977 50 0 HKAAMO C[C@@H]1CCCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 ZINC000002715107 132257075 /nfs/dbraw/zinc/25/70/75/132257075.db2.gz AZBZRLJYOGHWGK-QGZVFWFLSA-N 1 1 402.929 5.977 50 0 HKAAMO CN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C1CCCCC1 ZINC000002715137 557750013 /nfs/dbraw/zinc/75/00/13/557750013.db2.gz WJJMYPGXQFEEQA-UHFFFAOYSA-N 1 1 416.956 6.510 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)cc1 ZINC000002715186 568802408 /nfs/dbraw/zinc/80/24/08/568802408.db2.gz XAVHNAYBLIHKEW-UHFFFAOYSA-N 1 1 412.537 5.867 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000002715192 568802381 /nfs/dbraw/zinc/80/23/81/568802381.db2.gz OSRXYHXFSOQXEB-UHFFFAOYSA-N 1 1 412.537 6.231 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2)cc1 ZINC000002715209 568802336 /nfs/dbraw/zinc/80/23/36/568802336.db2.gz MONVOJWUZOROQT-UHFFFAOYSA-N 1 1 420.516 6.098 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(C)CC2)cc1 ZINC000002715223 132257087 /nfs/dbraw/zinc/25/70/87/132257087.db2.gz WFSKSFSVGWUOHE-UHFFFAOYSA-N 1 1 412.537 5.723 50 0 HKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000002761279 557755481 /nfs/dbraw/zinc/75/54/81/557755481.db2.gz ZRTZWUHONCHQGS-GMAHTHKFSA-N 1 1 410.517 5.067 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](C(=O)N4CCCCCC4)C3)ccc21 ZINC000002786610 557759145 /nfs/dbraw/zinc/75/91/45/557759145.db2.gz HXAXUNQVCWXUSI-JOCHJYFZSA-N 1 1 417.597 5.429 50 0 HKAAMO CC(C)(C)c1cc(CCCOC(=O)C[NH2+]C2CCCCC2)cc(C(C)(C)C)c1O ZINC000002896390 557424322 /nfs/dbraw/zinc/42/43/22/557424322.db2.gz HBSXVCGCAQXIRF-UHFFFAOYSA-N 1 1 403.607 5.385 50 0 biogenic HKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccc(-c4ccccc4)cc2)[C@H]3CCC1 ZINC000002928797 557427793 /nfs/dbraw/zinc/42/77/93/557427793.db2.gz GTWNFVDDVBNOIG-NDEPHWFRSA-N 1 1 406.573 6.900 50 0 HKAAMO 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CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccco2)cc1 ZINC000002974793 569322753 /nfs/dbraw/zinc/32/27/53/569322753.db2.gz QDFFIYYFKSCIDH-UHFFFAOYSA-N 1 1 410.477 5.691 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)cc1 ZINC000002974797 569322734 /nfs/dbraw/zinc/32/27/34/569322734.db2.gz WBLRUZAVSWTALX-UHFFFAOYSA-N 1 1 421.504 5.493 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(C)C2CCCCC2)cc1 ZINC000002974830 568832307 /nfs/dbraw/zinc/83/23/07/568832307.db2.gz NVTFOOOBQMNKOL-UHFFFAOYSA-N 1 1 412.537 5.865 50 0 HKAAMO CCN(CC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002974876 568832415 /nfs/dbraw/zinc/83/24/15/568832415.db2.gz IUKRMXNOJCVJNH-UHFFFAOYSA-N 1 1 421.342 5.696 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC[C@@H](C)C2)cc1 ZINC000002974901 132261091 /nfs/dbraw/zinc/26/10/91/132261091.db2.gz YGSIUWZJJXXLIY-LJQANCHMSA-N 1 1 412.537 5.723 50 0 HKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC[C@H](C)C2)cc1 ZINC000002974903 132261033 /nfs/dbraw/zinc/26/10/33/132261033.db2.gz YGSIUWZJJXXLIY-IBGZPJMESA-N 1 1 412.537 5.723 50 0 HKAAMO CCN(CC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002974909 557776301 /nfs/dbraw/zinc/77/63/01/557776301.db2.gz PLFCOEVTYCOVMI-UHFFFAOYSA-N 1 1 410.443 5.953 50 0 HKAAMO C[C@@H]1C[C@@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC(C)(C)C1 ZINC000002974911 557776286 /nfs/dbraw/zinc/77/62/86/557776286.db2.gz CWAPIIQQEIEGNP-TZIWHRDSSA-N 1 1 410.565 6.714 50 0 HKAAMO C[C@H]1C[C@H](Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC(C)(C)C1 ZINC000002974912 557776374 /nfs/dbraw/zinc/77/63/74/557776374.db2.gz CWAPIIQQEIEGNP-FPOVZHCZSA-N 1 1 410.565 6.714 50 0 HKAAMO Clc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 ZINC000002974914 568832278 /nfs/dbraw/zinc/83/22/78/568832278.db2.gz FPZBZYWLZMXLNR-UHFFFAOYSA-N 1 1 424.935 6.396 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCC2)cc1 ZINC000002974917 557776326 /nfs/dbraw/zinc/77/63/26/557776326.db2.gz QWPAZXSYASEWDM-UHFFFAOYSA-N 1 1 402.929 6.486 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccccc2)cc1 ZINC000002974926 557776366 /nfs/dbraw/zinc/77/63/66/557776366.db2.gz DIKMVYREXYBNIP-UHFFFAOYSA-N 1 1 424.935 6.396 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCC2)cc1Cl ZINC000002974940 568832271 /nfs/dbraw/zinc/83/22/71/568832271.db2.gz VSNVSIYSWRNFBV-UHFFFAOYSA-N 1 1 416.956 6.794 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2)cc1Cl ZINC000002974951 568832296 /nfs/dbraw/zinc/83/22/96/568832296.db2.gz FWFDTAZAMZAGDF-UHFFFAOYSA-N 1 1 424.935 6.661 50 0 HKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC2CCCCCC2)c1 ZINC000002974969 568832425 /nfs/dbraw/zinc/83/24/25/568832425.db2.gz RDPXDALCSWYGQP-UHFFFAOYSA-N 1 1 416.956 6.876 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2ccccc2Cl)cc1 ZINC000002974993 569322719 /nfs/dbraw/zinc/32/27/19/569322719.db2.gz HZZPSFIESLILTK-UHFFFAOYSA-N 1 1 424.935 6.661 50 0 HKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000002974999 569322798 /nfs/dbraw/zinc/32/27/98/569322798.db2.gz ZFDBMCRPLDLXCJ-UHFFFAOYSA-N 1 1 410.443 6.318 50 0 HKAAMO CN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)C1CCCCC1 ZINC000002975024 568832331 /nfs/dbraw/zinc/83/23/31/568832331.db2.gz QMPOGYOQSCUYRT-UHFFFAOYSA-N 1 1 416.956 6.510 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCCCCC2)cc1Cl ZINC000002975038 557776461 /nfs/dbraw/zinc/77/64/61/557776461.db2.gz YQQAUSQQFOPPMF-UHFFFAOYSA-N 1 1 416.956 6.430 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC[C@@H](C)C2)cc1Cl ZINC000002975048 132261055 /nfs/dbraw/zinc/26/10/55/132261055.db2.gz PAWABQSJWBCIMR-QGZVFWFLSA-N 1 1 416.956 6.286 50 0 HKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC[C@H](C)C2)cc1Cl ZINC000002975050 132261103 /nfs/dbraw/zinc/26/11/03/132261103.db2.gz PAWABQSJWBCIMR-KRWDZBQOSA-N 1 1 416.956 6.286 50 0 HKAAMO CCN(c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)C1CCCCC1 ZINC000002975068 557776861 /nfs/dbraw/zinc/77/68/61/557776861.db2.gz KQGZCAOFJPRZHF-UHFFFAOYSA-N 1 1 414.528 6.386 50 0 HKAAMO CCCC[N@@H+](C)CCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000003044926 568848575 /nfs/dbraw/zinc/84/85/75/568848575.db2.gz KPHBOHFKJBQDHO-UHFFFAOYSA-N 1 1 419.569 5.152 50 0 HKAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21 ZINC000003045023 568848666 /nfs/dbraw/zinc/84/86/66/568848666.db2.gz PPRAWTIOWJGDOG-UHFFFAOYSA-N 1 1 419.569 5.152 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1C ZINC000003046042 557787151 /nfs/dbraw/zinc/78/71/51/557787151.db2.gz CCFKEMMUIFSRQG-OAQYLSRUSA-N 1 1 415.581 5.513 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1C ZINC000003046047 568849050 /nfs/dbraw/zinc/84/90/50/568849050.db2.gz CCFKEMMUIFSRQG-NRFANRHFSA-N 1 1 415.581 5.513 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)c3ccccc3n2)cc1C ZINC000003046079 568849006 /nfs/dbraw/zinc/84/90/06/568849006.db2.gz CMGWVSKDDVECJX-HXUWFJFHSA-N 1 1 401.554 5.123 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)c3ccccc3n2)cc1C ZINC000003046083 568848982 /nfs/dbraw/zinc/84/89/82/568848982.db2.gz CMGWVSKDDVECJX-FQEVSTJZSA-N 1 1 401.554 5.123 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NCC[N@H+](C)Cc3ccccc3)c3ccccc3n2)cc1C ZINC000003046088 568848987 /nfs/dbraw/zinc/84/89/87/568848987.db2.gz DHZVKACSLKWKBX-UHFFFAOYSA-N 1 1 423.560 5.380 50 0 HKAAMO COc1ccc(Cl)cc1NC(=S)N1CCC([N@@H+](C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000003058556 568852135 /nfs/dbraw/zinc/85/21/35/568852135.db2.gz HFHCNNAFAISMFA-DNVCBOLYSA-N 1 1 410.027 5.020 50 0 HKAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@H]3C)CC2)cc1Cl ZINC000003058565 568852124 /nfs/dbraw/zinc/85/21/24/568852124.db2.gz DEERAPCNHYEUGD-DNVCBOLYSA-N 1 1 410.027 5.020 50 0 HKAAMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000003058570 568852117 /nfs/dbraw/zinc/85/21/17/568852117.db2.gz YSPYAUOSLUZZSQ-DNVCBOLYSA-N 1 1 413.553 5.377 50 0 HKAAMO CCc1cccc(CC)c1NC(=S)N1CCC([N@@H+](C)C2CCCCCC2)CC1 ZINC000003061017 568852747 /nfs/dbraw/zinc/85/27/47/568852747.db2.gz QZNZYMUQTYJRHV-UHFFFAOYSA-N 1 1 401.664 5.627 50 0 HKAAMO CCCC[N@@H+](CC)Cc1ccc(CNC(=S)Nc2cc(Cl)ccc2OC)o1 ZINC000003061696 568852811 /nfs/dbraw/zinc/85/28/11/568852811.db2.gz AJMVQMAOBFHLHO-UHFFFAOYSA-N 1 1 409.983 5.050 50 0 HKAAMO Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000003189635 568500244 /nfs/dbraw/zinc/50/02/44/568500244.db2.gz ROHLEPAAHCAKJO-DQEYMECFSA-N 1 1 406.489 5.108 50 0 HKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 ZINC000003189638 568500383 /nfs/dbraw/zinc/50/03/83/568500383.db2.gz ROHLEPAAHCAKJO-RPBOFIJWSA-N 1 1 406.489 5.108 50 0 HKAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000003189640 568500368 /nfs/dbraw/zinc/50/03/68/568500368.db2.gz ROHLEPAAHCAKJO-LOSJGSFVSA-N 1 1 406.489 5.108 50 0 HKAAMO C[N@@H+](C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC000003205887 568861648 /nfs/dbraw/zinc/86/16/48/568861648.db2.gz PGVMNNWZNBVWKC-QFIPXVFZSA-N 1 1 422.396 5.725 50 0 HKAAMO C[N@@H+](C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 ZINC000003205890 568861612 /nfs/dbraw/zinc/86/16/12/568861612.db2.gz PGVMNNWZNBVWKC-JOCHJYFZSA-N 1 1 422.396 5.725 50 0 HKAAMO CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)C[NH+]1CCCCCC1 ZINC000003247484 560589196 /nfs/dbraw/zinc/58/91/96/560589196.db2.gz MRMZOMFTZLKWTB-UHFFFAOYSA-N 1 1 420.962 5.060 50 0 HKAAMO CCc1ccc(/C=C2\CCC(C(=O)Nc3ccc(Cl)cc3)=C2[NH+]2CCCCC2)cc1 ZINC000003262880 560886852 /nfs/dbraw/zinc/88/68/52/560886852.db2.gz GYISFLYBZDXCJT-DYTRJAOYSA-N 1 1 420.984 6.458 50 0 HKAAMO CCC[N@H+](CC1CC1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S ZINC000003263320 568869587 /nfs/dbraw/zinc/86/95/87/568869587.db2.gz XRZHEBPKIZEQGH-UHFFFAOYSA-N 1 1 414.525 5.428 50 0 HKAAMO CCC[N@@H+](CC1CC1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S ZINC000003263320 568869590 /nfs/dbraw/zinc/86/95/90/568869590.db2.gz XRZHEBPKIZEQGH-UHFFFAOYSA-N 1 1 414.525 5.428 50 0 HKAAMO Fc1ccc(CCNc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)cc1 ZINC000003289033 568872887 /nfs/dbraw/zinc/87/28/87/568872887.db2.gz GTQOZRNWKLCLJG-UHFFFAOYSA-N 1 1 424.589 5.350 50 0 HKAAMO COc1ccc(Nc2nc(C[NH+]3CCCCC3)nc3sc(C)c(C)c32)cc1OC ZINC000003297454 568875601 /nfs/dbraw/zinc/87/56/01/568875601.db2.gz WOPGXNWOJDUNES-UHFFFAOYSA-N 1 1 412.559 5.055 50 0 HKAAMO CN(c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c21)C1CCCCC1 ZINC000003299033 568875735 /nfs/dbraw/zinc/87/57/35/568875735.db2.gz GZRDFXCUOWFRGG-UHFFFAOYSA-N 1 1 420.626 6.113 50 0 HKAAMO c1cc(Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCC4)cc2c1CCC2 ZINC000003303013 568877120 /nfs/dbraw/zinc/87/71/20/568877120.db2.gz ZTRBFVHDVORHBJ-UHFFFAOYSA-N 1 1 404.583 5.398 50 0 HKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000003323056 568880775 /nfs/dbraw/zinc/88/07/75/568880775.db2.gz PGHFXHVOBOEDCV-FQEVSTJZSA-N 1 1 402.391 5.314 50 0 HKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1 ZINC000003323057 568880736 /nfs/dbraw/zinc/88/07/36/568880736.db2.gz PGHFXHVOBOEDCV-HXUWFJFHSA-N 1 1 402.391 5.314 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000003323112 568880783 /nfs/dbraw/zinc/88/07/83/568880783.db2.gz MMMCGYFIOQKTDP-WIOPSUGQSA-N 1 1 400.522 5.351 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000003323114 568854611 /nfs/dbraw/zinc/85/46/11/568854611.db2.gz MMMCGYFIOQKTDP-DHLKQENFSA-N 1 1 400.522 5.351 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000003323115 568880825 /nfs/dbraw/zinc/88/08/25/568880825.db2.gz MMMCGYFIOQKTDP-RCZVLFRGSA-N 1 1 400.522 5.351 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000003323118 568880803 /nfs/dbraw/zinc/88/08/03/568880803.db2.gz MMMCGYFIOQKTDP-RDGATRHJSA-N 1 1 400.522 5.351 50 0 HKAAMO COc1ccc(C[NH2+][C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1OC ZINC000003323178 568880719 /nfs/dbraw/zinc/88/07/19/568880719.db2.gz PBIINHGUPRNGNJ-HSZRJFAPSA-N 1 1 424.928 5.135 50 0 HKAAMO COc1ccc(C[NH2+][C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1OC ZINC000003323180 568880822 /nfs/dbraw/zinc/88/08/22/568880822.db2.gz PBIINHGUPRNGNJ-QHCPKHFHSA-N 1 1 424.928 5.135 50 0 HKAAMO Cc1ccc(NC(=O)[C@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000003327118 560592538 /nfs/dbraw/zinc/59/25/38/560592538.db2.gz DDMRUARTFYRGKW-BJKOFHAPSA-N 1 1 404.941 5.995 50 0 HKAAMO Cc1ccc(NC(=O)[C@@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000003327120 560592547 /nfs/dbraw/zinc/59/25/47/560592547.db2.gz DDMRUARTFYRGKW-ZEQRLZLVSA-N 1 1 404.941 5.995 50 0 HKAAMO Cc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000003327122 568881280 /nfs/dbraw/zinc/88/12/80/568881280.db2.gz DDMRUARTFYRGKW-DNQXCXABSA-N 1 1 404.941 5.995 50 0 HKAAMO Cc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000003327124 560592485 /nfs/dbraw/zinc/59/24/85/560592485.db2.gz DDMRUARTFYRGKW-RPWUZVMVSA-N 1 1 404.941 5.995 50 0 HKAAMO CC1CCN(c2nc(C[NH+]3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000003335883 132264806 /nfs/dbraw/zinc/26/48/06/132264806.db2.gz RATWPNWVUUMXKZ-UHFFFAOYSA-N 1 1 406.599 5.581 50 0 HKAAMO CSc1ccc(C[N@@H+](C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000003337948 568883194 /nfs/dbraw/zinc/88/31/94/568883194.db2.gz NXDKGKAEGNEFPJ-AOYPEHQESA-N 1 1 421.606 5.316 50 0 HKAAMO C[N@H+]1CCCC[C@H]1CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000003340021 560593643 /nfs/dbraw/zinc/59/36/43/560593643.db2.gz MUYSSYKBEFBWBP-IBGZPJMESA-N 1 1 412.990 5.554 50 0 HKAAMO C[N@H+]1CCCC[C@@H]1CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 ZINC000003340026 568883585 /nfs/dbraw/zinc/88/35/85/568883585.db2.gz MUYSSYKBEFBWBP-LJQANCHMSA-N 1 1 412.990 5.554 50 0 HKAAMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2C)sc(C)c1-c1ccc(C)cc1 ZINC000003341604 568883853 /nfs/dbraw/zinc/88/38/53/568883853.db2.gz PMDSYYCUGLPPOB-MRXNPFEDSA-N 1 1 414.571 5.022 50 0 HKAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2C)sc(C)c1-c1ccc(C)cc1 ZINC000003341604 568883855 /nfs/dbraw/zinc/88/38/55/568883855.db2.gz PMDSYYCUGLPPOB-MRXNPFEDSA-N 1 1 414.571 5.022 50 0 HKAAMO CCOC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2C)sc(C)c1-c1ccc(C)cc1 ZINC000003341607 568883883 /nfs/dbraw/zinc/88/38/83/568883883.db2.gz PMDSYYCUGLPPOB-INIZCTEOSA-N 1 1 414.571 5.022 50 0 HKAAMO CCOC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2C)sc(C)c1-c1ccc(C)cc1 ZINC000003341607 568883884 /nfs/dbraw/zinc/88/38/84/568883884.db2.gz PMDSYYCUGLPPOB-INIZCTEOSA-N 1 1 414.571 5.022 50 0 HKAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000003351656 568885839 /nfs/dbraw/zinc/88/58/39/568885839.db2.gz LFKBKQKEYPIDKA-WIOPSUGQSA-N 1 1 400.522 5.432 50 0 HKAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@H]1CCCc2ccccc21)c1ccccc1 ZINC000003351657 568856750 /nfs/dbraw/zinc/85/67/50/568856750.db2.gz LFKBKQKEYPIDKA-DHLKQENFSA-N 1 1 400.522 5.432 50 0 HKAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000003351659 568885845 /nfs/dbraw/zinc/88/58/45/568885845.db2.gz LFKBKQKEYPIDKA-RCZVLFRGSA-N 1 1 400.522 5.432 50 0 HKAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+][C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000003351660 568885862 /nfs/dbraw/zinc/88/58/62/568885862.db2.gz LFKBKQKEYPIDKA-RDGATRHJSA-N 1 1 400.522 5.432 50 0 HKAAMO C[N@@H+](Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 ZINC000003353093 568886088 /nfs/dbraw/zinc/88/60/88/568886088.db2.gz VNTYXCYNSOBNHH-UHFFFAOYSA-N 1 1 408.567 5.405 50 0 HKAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@H+](C)Cc4cccs4)cc3)sc2c1 ZINC000003353392 568886130 /nfs/dbraw/zinc/88/61/30/568886130.db2.gz BQUVOFPROLAGHZ-MRXNPFEDSA-N 1 1 421.591 5.792 50 0 HKAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc4cccs4)cc3)sc2c1 ZINC000003353392 568886132 /nfs/dbraw/zinc/88/61/32/568886132.db2.gz BQUVOFPROLAGHZ-MRXNPFEDSA-N 1 1 421.591 5.792 50 0 HKAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[N@H+](C)Cc4cccs4)cc3)sc2c1 ZINC000003353394 568886202 /nfs/dbraw/zinc/88/62/02/568886202.db2.gz BQUVOFPROLAGHZ-INIZCTEOSA-N 1 1 421.591 5.792 50 0 HKAAMO Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)[N@@H+](C)Cc4cccs4)cc3)sc2c1 ZINC000003353394 568886205 /nfs/dbraw/zinc/88/62/05/568886205.db2.gz BQUVOFPROLAGHZ-INIZCTEOSA-N 1 1 421.591 5.792 50 0 HKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000003355217 568886449 /nfs/dbraw/zinc/88/64/49/568886449.db2.gz QVXLPKPVPOOQFG-IBGZPJMESA-N 1 1 410.867 5.915 50 0 HKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000003355220 568886464 /nfs/dbraw/zinc/88/64/64/568886464.db2.gz QVXLPKPVPOOQFG-LJQANCHMSA-N 1 1 410.867 5.915 50 0 HKAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCCc3ccc(Cl)cc3)c2c1C ZINC000003357572 568887191 /nfs/dbraw/zinc/88/71/91/568887191.db2.gz UGDZLGAZWSHETJ-UHFFFAOYSA-N 1 1 400.979 5.212 50 0 HKAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000003359635 568887354 /nfs/dbraw/zinc/88/73/54/568887354.db2.gz ATOLCWKAPAXSBS-KRWDZBQOSA-N 1 1 421.522 5.106 50 0 HKAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(-c2nc3ccccc3s2)o1 ZINC000003359636 568887427 /nfs/dbraw/zinc/88/74/27/568887427.db2.gz ATOLCWKAPAXSBS-QGZVFWFLSA-N 1 1 421.522 5.106 50 0 HKAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1 ZINC000003376680 568891539 /nfs/dbraw/zinc/89/15/39/568891539.db2.gz UZKYHNYVGWMSQH-UHFFFAOYSA-N 1 1 403.929 5.294 50 0 HKAAMO CSc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003381312 568892352 /nfs/dbraw/zinc/89/23/52/568892352.db2.gz YIVIIWBWQPHZEV-NSHDSACASA-N 1 1 417.789 5.828 50 0 HKAAMO CSc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003381312 568892355 /nfs/dbraw/zinc/89/23/55/568892355.db2.gz YIVIIWBWQPHZEV-NSHDSACASA-N 1 1 417.789 5.828 50 0 HKAAMO CSc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003381315 568892544 /nfs/dbraw/zinc/89/25/44/568892544.db2.gz YIVIIWBWQPHZEV-LLVKDONJSA-N 1 1 417.789 5.828 50 0 HKAAMO CSc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000003381315 568892545 /nfs/dbraw/zinc/89/25/45/568892545.db2.gz YIVIIWBWQPHZEV-LLVKDONJSA-N 1 1 417.789 5.828 50 0 HKAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384795 568893082 /nfs/dbraw/zinc/89/30/82/568893082.db2.gz GDHARUSSAHRKLV-NSHDSACASA-N 1 1 405.247 5.471 50 0 HKAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384795 568893085 /nfs/dbraw/zinc/89/30/85/568893085.db2.gz GDHARUSSAHRKLV-NSHDSACASA-N 1 1 405.247 5.471 50 0 HKAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384799 568893066 /nfs/dbraw/zinc/89/30/66/568893066.db2.gz GDHARUSSAHRKLV-LLVKDONJSA-N 1 1 405.247 5.471 50 0 HKAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003384799 568893068 /nfs/dbraw/zinc/89/30/68/568893068.db2.gz GDHARUSSAHRKLV-LLVKDONJSA-N 1 1 405.247 5.471 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)CNc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000003413502 568858633 /nfs/dbraw/zinc/85/86/33/568858633.db2.gz KSCFAZBUAIMLBH-UHFFFAOYSA-N 1 1 415.965 5.164 50 0 HKAAMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000003416805 560594355 /nfs/dbraw/zinc/59/43/55/560594355.db2.gz SNFILVAKFNVYAM-UHFFFAOYSA-N 1 1 410.901 5.082 50 0 HKAAMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000003416805 560594356 /nfs/dbraw/zinc/59/43/56/560594356.db2.gz SNFILVAKFNVYAM-UHFFFAOYSA-N 1 1 410.901 5.082 50 0 HKAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccco1 ZINC000003422974 568900204 /nfs/dbraw/zinc/90/02/04/568900204.db2.gz XVLMFJKOECFLIO-FQEVSTJZSA-N 1 1 414.958 5.258 50 0 HKAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccco1 ZINC000003422978 568900212 /nfs/dbraw/zinc/90/02/12/568900212.db2.gz XVLMFJKOECFLIO-HXUWFJFHSA-N 1 1 414.958 5.258 50 0 HKAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000003423696 560594528 /nfs/dbraw/zinc/59/45/28/560594528.db2.gz NWJZLNRDVCXAIW-NSHDSACASA-N 1 1 403.256 5.054 50 0 HKAAMO C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000003423696 560594530 /nfs/dbraw/zinc/59/45/30/560594530.db2.gz NWJZLNRDVCXAIW-NSHDSACASA-N 1 1 403.256 5.054 50 0 HKAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000003423700 568900234 /nfs/dbraw/zinc/90/02/34/568900234.db2.gz NWJZLNRDVCXAIW-LLVKDONJSA-N 1 1 403.256 5.054 50 0 HKAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000003423700 568900235 /nfs/dbraw/zinc/90/02/35/568900235.db2.gz NWJZLNRDVCXAIW-LLVKDONJSA-N 1 1 403.256 5.054 50 0 HKAAMO C[N@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000003433146 568859592 /nfs/dbraw/zinc/85/95/92/568859592.db2.gz OWNLSQGHVJGQCZ-UHFFFAOYSA-N 1 1 416.565 5.634 50 0 HKAAMO C[N@@H+](CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000003433146 568859593 /nfs/dbraw/zinc/85/95/93/568859593.db2.gz OWNLSQGHVJGQCZ-UHFFFAOYSA-N 1 1 416.565 5.634 50 0 HKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003434079 568902296 /nfs/dbraw/zinc/90/22/96/568902296.db2.gz YLCGIXVKZXCLAA-UHFFFAOYSA-N 1 1 406.492 6.023 50 0 HKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000003434079 568902297 /nfs/dbraw/zinc/90/22/97/568902297.db2.gz YLCGIXVKZXCLAA-UHFFFAOYSA-N 1 1 406.492 6.023 50 0 HKAAMO c1sc2nc(C[NH+]3CCCCC3)nc(NC3CCCCC3)c2c1-c1ccccc1 ZINC000003434662 568859427 /nfs/dbraw/zinc/85/94/27/568859427.db2.gz LEFJBYXVEJHLTK-UHFFFAOYSA-N 1 1 406.599 6.089 50 0 HKAAMO c1sc2nc(C[NH+]3CCCCC3)nc(NCc3ccccn3)c2c1-c1ccccc1 ZINC000003447833 568904913 /nfs/dbraw/zinc/90/49/13/568904913.db2.gz OXYHPXYIPUSQCM-UHFFFAOYSA-N 1 1 415.566 5.351 50 0 HKAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC[C@H]3CCCC[N@@H+]3C)cc12 ZINC000003457073 568906459 /nfs/dbraw/zinc/90/64/59/568906459.db2.gz IVNSCENAXLPIGE-MRXNPFEDSA-N 1 1 417.962 5.080 50 0 HKAAMO Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC[C@@H]3CCCC[N@@H+]3C)cc12 ZINC000003457075 568906450 /nfs/dbraw/zinc/90/64/50/568906450.db2.gz IVNSCENAXLPIGE-INIZCTEOSA-N 1 1 417.962 5.080 50 0 HKAAMO CC(C)c1ccc(NC(=O)[C@H](c2ccc3c(c2)OCO3)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000003614397 568920187 /nfs/dbraw/zinc/92/01/87/568920187.db2.gz VLJJAAOUTZFFRD-RHGYRFJNSA-N 1 1 408.542 5.196 50 0 HKAAMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000003615911 568864196 /nfs/dbraw/zinc/86/41/96/568864196.db2.gz HRVNEOSRFIZHIQ-UHFFFAOYSA-N 1 1 424.588 5.340 50 0 HKAAMO CCOC(=O)c1nc(Cl)c(Cl)c(Nc2ccc([NH+](CC)CC)cc2)c1Cl ZINC000003618330 568864272 /nfs/dbraw/zinc/86/42/72/568864272.db2.gz BQLVBDJOHCZZGQ-UHFFFAOYSA-N 1 1 416.736 5.808 50 0 HKAAMO O=C1N[C@@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000003647467 568866150 /nfs/dbraw/zinc/86/61/50/568866150.db2.gz OTGQYPKYVJZUBI-HXUWFJFHSA-N 1 1 409.942 5.389 50 0 HKAAMO O=C1N[C@@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000003647467 568866152 /nfs/dbraw/zinc/86/61/52/568866152.db2.gz OTGQYPKYVJZUBI-HXUWFJFHSA-N 1 1 409.942 5.389 50 0 HKAAMO O=C1N[C@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000003647471 568866220 /nfs/dbraw/zinc/86/62/20/568866220.db2.gz OTGQYPKYVJZUBI-FQEVSTJZSA-N 1 1 409.942 5.389 50 0 HKAAMO O=C1N[C@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000003647471 568866222 /nfs/dbraw/zinc/86/62/22/568866222.db2.gz OTGQYPKYVJZUBI-FQEVSTJZSA-N 1 1 409.942 5.389 50 0 HKAAMO Cc1ccccc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000003662231 568923601 /nfs/dbraw/zinc/92/36/01/568923601.db2.gz BRPZMECLMUNMGQ-GOSISDBHSA-N 1 1 401.645 5.378 50 0 HKAAMO Cc1ccccc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000003662233 568923746 /nfs/dbraw/zinc/92/37/46/568923746.db2.gz BRPZMECLMUNMGQ-SFHVURJKSA-N 1 1 401.645 5.378 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(Cl)cc1 ZINC000003662254 568923883 /nfs/dbraw/zinc/92/38/83/568923883.db2.gz FPDDDHOCKCZXPB-UHFFFAOYSA-N 1 1 410.052 5.723 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1cc(Cl)ccc1C ZINC000003662294 568923730 /nfs/dbraw/zinc/92/37/30/568923730.db2.gz PGHQBXWZIOTRIL-UHFFFAOYSA-N 1 1 408.011 5.562 50 0 HKAAMO Cc1ccc(Cl)cc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1ccco1 ZINC000003662296 568923768 /nfs/dbraw/zinc/92/37/68/568923768.db2.gz LZQDGACPCCUCMF-QGZVFWFLSA-N 1 1 420.022 5.562 50 0 HKAAMO Cc1ccc(Cl)cc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1ccco1 ZINC000003662298 568923786 /nfs/dbraw/zinc/92/37/86/568923786.db2.gz LZQDGACPCCUCMF-KRWDZBQOSA-N 1 1 420.022 5.562 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(C)c(Cl)c1 ZINC000003662318 568923892 /nfs/dbraw/zinc/92/38/92/568923892.db2.gz VPFIFZLCVAZZTH-UHFFFAOYSA-N 1 1 424.079 6.031 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccc(C)c(Cl)c1 ZINC000003662333 568923779 /nfs/dbraw/zinc/92/37/79/568923779.db2.gz OSRDNAZORXLNJX-UHFFFAOYSA-N 1 1 408.011 5.562 50 0 HKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2ccco2)cc1Cl ZINC000003662335 568923904 /nfs/dbraw/zinc/92/39/04/568923904.db2.gz BRAMKFKKINXALD-QGZVFWFLSA-N 1 1 420.022 5.562 50 0 HKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2ccco2)cc1Cl ZINC000003662337 568923792 /nfs/dbraw/zinc/92/37/92/568923792.db2.gz BRAMKFKKINXALD-KRWDZBQOSA-N 1 1 420.022 5.562 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(Cl)c(C)c1 ZINC000003662369 568923721 /nfs/dbraw/zinc/92/37/21/568923721.db2.gz HRWRDAVDYMZBDT-UHFFFAOYSA-N 1 1 424.079 6.031 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1ccc(Cl)c(C)c1 ZINC000003662384 568923842 /nfs/dbraw/zinc/92/38/42/568923842.db2.gz AKRBADAFONFWBX-UHFFFAOYSA-N 1 1 408.011 5.562 50 0 HKAAMO Cc1cc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2ccco2)ccc1Cl ZINC000003662386 568923827 /nfs/dbraw/zinc/92/38/27/568923827.db2.gz APPKWVDHCNPXSO-QGZVFWFLSA-N 1 1 420.022 5.562 50 0 HKAAMO Cc1cc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2ccco2)ccc1Cl ZINC000003662388 568923822 /nfs/dbraw/zinc/92/38/22/568923822.db2.gz APPKWVDHCNPXSO-KRWDZBQOSA-N 1 1 420.022 5.562 50 0 HKAAMO CCc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1 ZINC000003662411 568923938 /nfs/dbraw/zinc/92/39/38/568923938.db2.gz NTQKFBILWHASOD-LJQANCHMSA-N 1 1 415.672 5.632 50 0 HKAAMO CCc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1 ZINC000003662413 568923923 /nfs/dbraw/zinc/92/39/23/568923923.db2.gz NTQKFBILWHASOD-IBGZPJMESA-N 1 1 415.672 5.632 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(C)c(C)c1 ZINC000003662438 568924082 /nfs/dbraw/zinc/92/40/82/568924082.db2.gz ZNFUADAGKXNLLX-UHFFFAOYSA-N 1 1 403.661 5.686 50 0 HKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1C ZINC000003662440 568924006 /nfs/dbraw/zinc/92/40/06/568924006.db2.gz JRUINYCIYULYEP-GOSISDBHSA-N 1 1 415.672 5.686 50 0 HKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1C ZINC000003662442 568924065 /nfs/dbraw/zinc/92/40/65/568924065.db2.gz JRUINYCIYULYEP-SFHVURJKSA-N 1 1 415.672 5.686 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1ccco1)C(=S)Nc1cccc(Cl)c1C ZINC000003665419 568924048 /nfs/dbraw/zinc/92/40/48/568924048.db2.gz CIUDVFRWDNDQAN-UHFFFAOYSA-N 1 1 408.011 5.562 50 0 HKAAMO Cc1c(Cl)cccc1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1ccco1 ZINC000003665421 568924054 /nfs/dbraw/zinc/92/40/54/568924054.db2.gz LLDOAEMIAJOYML-QGZVFWFLSA-N 1 1 420.022 5.562 50 0 HKAAMO Cc1c(Cl)cccc1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1ccco1 ZINC000003665423 568923996 /nfs/dbraw/zinc/92/39/96/568923996.db2.gz LLDOAEMIAJOYML-KRWDZBQOSA-N 1 1 420.022 5.562 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1cc(C)ccc1C ZINC000003665438 568924238 /nfs/dbraw/zinc/92/42/38/568924238.db2.gz UNULHWMRBCSCAS-UHFFFAOYSA-N 1 1 403.661 5.686 50 0 HKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1 ZINC000003665451 568924261 /nfs/dbraw/zinc/92/42/61/568924261.db2.gz SJWBMXSVICJNKM-LJQANCHMSA-N 1 1 401.645 5.378 50 0 HKAAMO Cc1ccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1 ZINC000003665453 568924280 /nfs/dbraw/zinc/92/42/80/568924280.db2.gz SJWBMXSVICJNKM-IBGZPJMESA-N 1 1 401.645 5.378 50 0 HKAAMO Cc1cccc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)c1 ZINC000003665485 568924288 /nfs/dbraw/zinc/92/42/88/568924288.db2.gz OFVKJJVROSTLBI-LJQANCHMSA-N 1 1 401.645 5.378 50 0 HKAAMO Cc1cccc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)c1 ZINC000003665487 568924244 /nfs/dbraw/zinc/92/42/44/568924244.db2.gz OFVKJJVROSTLBI-IBGZPJMESA-N 1 1 401.645 5.378 50 0 HKAAMO CCc1ccccc1NC(=S)N(CCC[N@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000003665544 568924212 /nfs/dbraw/zinc/92/42/12/568924212.db2.gz KCAARRUMNOOFBY-LJQANCHMSA-N 1 1 415.672 5.632 50 0 HKAAMO CCc1ccccc1NC(=S)N(CCC[N@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000003665546 568924139 /nfs/dbraw/zinc/92/41/39/568924139.db2.gz KCAARRUMNOOFBY-IBGZPJMESA-N 1 1 415.672 5.632 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1c(C)cc(C)cc1C ZINC000003665572 568924204 /nfs/dbraw/zinc/92/42/04/568924204.db2.gz SWJXDRGZQXGEKH-UHFFFAOYSA-N 1 1 417.688 5.994 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1c(C)cccc1C ZINC000003665609 568924130 /nfs/dbraw/zinc/92/41/30/568924130.db2.gz IQTCIZIIAVAECJ-UHFFFAOYSA-N 1 1 403.661 5.686 50 0 HKAAMO Cc1cccc(C)c1NC(=S)N(CCC[N@@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000003665611 568924227 /nfs/dbraw/zinc/92/42/27/568924227.db2.gz LXZMFSHXZFPWRX-GOSISDBHSA-N 1 1 415.672 5.686 50 0 HKAAMO Cc1cccc(C)c1NC(=S)N(CCC[N@@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000003665613 568924150 /nfs/dbraw/zinc/92/41/50/568924150.db2.gz LXZMFSHXZFPWRX-SFHVURJKSA-N 1 1 415.672 5.686 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1cc(C)cc(C)c1 ZINC000003665697 568924356 /nfs/dbraw/zinc/92/43/56/568924356.db2.gz ZDDFNHCVENFDCK-UHFFFAOYSA-N 1 1 403.661 5.686 50 0 HKAAMO Cc1cc(C)cc(NC(=S)N(CCC[N@@H+]2CCC[C@@H](C)C2)Cc2cccs2)c1 ZINC000003665699 568924455 /nfs/dbraw/zinc/92/44/55/568924455.db2.gz FMAJPZLUHPVWBP-GOSISDBHSA-N 1 1 415.672 5.686 50 0 HKAAMO Cc1cc(C)cc(NC(=S)N(CCC[N@@H+]2CCC[C@H](C)C2)Cc2cccs2)c1 ZINC000003665701 568924402 /nfs/dbraw/zinc/92/44/02/568924402.db2.gz FMAJPZLUHPVWBP-SFHVURJKSA-N 1 1 415.672 5.686 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccccc1Cl ZINC000003665729 568924471 /nfs/dbraw/zinc/92/44/71/568924471.db2.gz CWCCXSFLGAWFFQ-UHFFFAOYSA-N 1 1 410.052 5.723 50 0 HKAAMO CCN(CC)C1=[NH+]C(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)S1 ZINC000003764779 568868097 /nfs/dbraw/zinc/86/80/97/568868097.db2.gz DZNJRAAOPOSGGR-QGZVFWFLSA-N 1 1 414.493 5.417 50 0 HKAAMO CCN(CC)C1=[NH+]C(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)S1 ZINC000003764780 568868037 /nfs/dbraw/zinc/86/80/37/568868037.db2.gz DZNJRAAOPOSGGR-KRWDZBQOSA-N 1 1 414.493 5.417 50 0 HKAAMO COc1ccc(C[N@@H+](CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)C(C)C)cc1 ZINC000004025196 568933862 /nfs/dbraw/zinc/93/38/62/568933862.db2.gz ORDANFJUNVLVQI-HHHXNRCGSA-N 1 1 409.614 6.114 50 0 biogenic HKAAMO COc1ccc(C[N@@H+](CC[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)C(C)C)cc1 ZINC000004025199 568933977 /nfs/dbraw/zinc/93/39/77/568933977.db2.gz ORDANFJUNVLVQI-MHZLTWQESA-N 1 1 409.614 6.114 50 0 biogenic HKAAMO CCC[N@@H+](CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004027714 568878296 /nfs/dbraw/zinc/87/82/96/568878296.db2.gz RJLPRFHBCYYQNW-RSXGOPAZSA-N 1 1 409.614 6.286 50 0 biogenic HKAAMO CCC[N@@H+](CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000004027715 568878301 /nfs/dbraw/zinc/87/83/01/568878301.db2.gz RJLPRFHBCYYQNW-AOYPEHQESA-N 1 1 409.614 6.286 50 0 biogenic HKAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1OC ZINC000004061934 568881570 /nfs/dbraw/zinc/88/15/70/568881570.db2.gz KLLUXTMIHCIHJO-GXBHKBKGSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)c(OC)c1 ZINC000004064391 568937303 /nfs/dbraw/zinc/93/73/03/568937303.db2.gz KHTQBWLJEZPZAP-ZICWRXTKSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)c1 ZINC000004064910 568937604 /nfs/dbraw/zinc/93/76/04/568937604.db2.gz NGTYIDRNJTUKEY-ZICWRXTKSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO C[NH+](C)C1(c2nnnn2C(c2ccccc2)c2ccccc2)CCC(C(C)(C)C)CC1 ZINC000004066810 568937546 /nfs/dbraw/zinc/93/75/46/568937546.db2.gz FWKQCQZPYJBDHW-UHFFFAOYSA-N 1 1 417.601 5.304 50 0 HKAAMO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000004073532 568938000 /nfs/dbraw/zinc/93/80/00/568938000.db2.gz IZOZKBXFTWQRFR-HLMLHLEXSA-N 1 1 409.545 5.373 50 0 biogenic HKAAMO CCCC[NH+](CCCC)CCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 ZINC000004073592 568937934 /nfs/dbraw/zinc/93/79/34/568937934.db2.gz FGNDTNHMDIFKKW-BZJCUTCFSA-N 1 1 418.666 5.183 50 0 biogenic HKAAMO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000004084569 568939876 /nfs/dbraw/zinc/93/98/76/568939876.db2.gz XNUXTLWJUVVMKR-HLMLHLEXSA-N 1 1 423.984 5.663 50 0 biogenic HKAAMO COc1cc(CNc2ccc([NH+]3CCCCC3)cc2)ccc1OCc1ccccc1F ZINC000004148482 536816621 /nfs/dbraw/zinc/81/66/21/536816621.db2.gz BSHOJUKMDJJIAK-UHFFFAOYSA-N 1 1 420.528 6.016 50 0 HKAAMO COc1cccc(CNc2ccc([NH+]3CCCCC3)cc2)c1OCc1cccs1 ZINC000004148491 132272327 /nfs/dbraw/zinc/27/23/27/132272327.db2.gz JQUQTQITRCEOMW-UHFFFAOYSA-N 1 1 408.567 5.938 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](C(=O)N4CCCCCC4)C3)ccc21 ZINC000004150805 568917006 /nfs/dbraw/zinc/91/70/06/568917006.db2.gz HXAXUNQVCWXUSI-QFIPXVFZSA-N 1 1 417.597 5.429 50 0 HKAAMO COc1cccc(-c2[nH+]c3ccc(Br)cn3c2NCc2ccccc2)c1 ZINC000004155347 568947201 /nfs/dbraw/zinc/94/72/01/568947201.db2.gz AROOWUHZYGFTJK-UHFFFAOYSA-N 1 1 408.299 5.385 50 0 HKAAMO COc1cccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)c1 ZINC000004155352 568947147 /nfs/dbraw/zinc/94/71/47/568947147.db2.gz AOKXXLPLNLOZPE-UHFFFAOYSA-N 1 1 400.320 5.517 50 0 HKAAMO Clc1cccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)c1 ZINC000004155372 568947191 /nfs/dbraw/zinc/94/71/91/568947191.db2.gz HEWFHLZILRUDRL-UHFFFAOYSA-N 1 1 404.739 6.162 50 0 HKAAMO Cc1cccc(C)c1Nc1c([C@@H](C)c2ccccc2)[nH+]c2ccc(Br)cn21 ZINC000004155377 568947177 /nfs/dbraw/zinc/94/71/77/568947177.db2.gz JRGMEXZLGPUIDA-KRWDZBQOSA-N 1 1 420.354 6.609 50 0 HKAAMO Cc1cccc(C)c1Nc1c([C@H](C)c2ccccc2)[nH+]c2ccc(Br)cn21 ZINC000004155379 568947160 /nfs/dbraw/zinc/94/71/60/568947160.db2.gz JRGMEXZLGPUIDA-QGZVFWFLSA-N 1 1 420.354 6.609 50 0 HKAAMO Cc1ccc2[nH+]c(-c3ccc(C(F)(F)F)cc3)c(NC(C)(C)CC(C)(C)C)n2c1 ZINC000004158275 568947120 /nfs/dbraw/zinc/94/71/20/568947120.db2.gz XWXBDKDWGBSOHU-UHFFFAOYSA-N 1 1 403.492 6.955 50 0 HKAAMO O=C([C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004177092 568949043 /nfs/dbraw/zinc/94/90/43/568949043.db2.gz WIYMWUUWENZZLH-HSZRJFAPSA-N 1 1 410.989 5.033 50 0 HKAAMO O=C([C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004177093 568948998 /nfs/dbraw/zinc/94/89/98/568948998.db2.gz WIYMWUUWENZZLH-QHCPKHFHSA-N 1 1 410.989 5.033 50 0 HKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000004179951 568949192 /nfs/dbraw/zinc/94/91/92/568949192.db2.gz ZRTZWUHONCHQGS-GGAORHGYSA-N 1 1 410.517 5.067 50 0 HKAAMO COc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)c1 ZINC000004193206 568950547 /nfs/dbraw/zinc/95/05/47/568950547.db2.gz KSTNRSAECYEGIQ-GOSISDBHSA-N 1 1 417.644 5.078 50 0 HKAAMO COc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)c1 ZINC000004193210 568950646 /nfs/dbraw/zinc/95/06/46/568950646.db2.gz KSTNRSAECYEGIQ-SFHVURJKSA-N 1 1 417.644 5.078 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(CC)cc1 ZINC000004193339 568950629 /nfs/dbraw/zinc/95/06/29/568950629.db2.gz ABEJESFZJXUBKF-UHFFFAOYSA-N 1 1 403.661 5.632 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccc(OC)cc1 ZINC000004193618 568950782 /nfs/dbraw/zinc/95/07/82/568950782.db2.gz SIWZWTASQHUEOF-UHFFFAOYSA-N 1 1 405.633 5.078 50 0 HKAAMO COc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2cccs2)cc1 ZINC000004193619 568950847 /nfs/dbraw/zinc/95/08/47/568950847.db2.gz VLTXYJZVQVRCEU-GOSISDBHSA-N 1 1 417.644 5.078 50 0 HKAAMO COc1ccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2cccs2)cc1 ZINC000004193620 568950788 /nfs/dbraw/zinc/95/07/88/568950788.db2.gz VLTXYJZVQVRCEU-SFHVURJKSA-N 1 1 417.644 5.078 50 0 HKAAMO COc1ccccc1NC(=S)N(CCC[N@H+]1CCC[C@@H](C)C1)Cc1cccs1 ZINC000004193676 568950986 /nfs/dbraw/zinc/95/09/86/568950986.db2.gz SANDSGUFNJVIOW-GOSISDBHSA-N 1 1 417.644 5.078 50 0 HKAAMO COc1ccccc1NC(=S)N(CCC[N@H+]1CCC[C@H](C)C1)Cc1cccs1 ZINC000004193677 568950979 /nfs/dbraw/zinc/95/09/79/568950979.db2.gz SANDSGUFNJVIOW-SFHVURJKSA-N 1 1 417.644 5.078 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1ccccc1CC ZINC000004193720 568950975 /nfs/dbraw/zinc/95/09/75/568950975.db2.gz ZARQIJJBTNAXOA-UHFFFAOYSA-N 1 1 403.661 5.632 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1c(C)cccc1CC ZINC000004193843 568950906 /nfs/dbraw/zinc/95/09/06/568950906.db2.gz HHRIVVNBLOBIGD-UHFFFAOYSA-N 1 1 417.688 5.940 50 0 HKAAMO CCCC[N@@H+](C)CCCN(Cc1cccs1)C(=S)Nc1cccc(SC)c1 ZINC000004193938 568950910 /nfs/dbraw/zinc/95/09/10/568950910.db2.gz KLCCONUMGSYDPR-UHFFFAOYSA-N 1 1 421.701 5.791 50 0 HKAAMO CSc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@@H](C)C2)Cc2ccco2)c1 ZINC000004193946 568950901 /nfs/dbraw/zinc/95/09/01/568950901.db2.gz RGWRRYYIBLUTFR-GOSISDBHSA-N 1 1 417.644 5.323 50 0 HKAAMO CSc1cccc(NC(=S)N(CCC[N@H+]2CCC[C@H](C)C2)Cc2ccco2)c1 ZINC000004193947 568950951 /nfs/dbraw/zinc/95/09/51/568950951.db2.gz RGWRRYYIBLUTFR-SFHVURJKSA-N 1 1 417.644 5.323 50 0 HKAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000004201898 557528648 /nfs/dbraw/zinc/52/86/48/557528648.db2.gz INFYAOPXWAMCGM-DHIUTWEWSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000004201899 557528695 /nfs/dbraw/zinc/52/86/95/557528695.db2.gz INFYAOPXWAMCGM-PKTZIBPZSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1 ZINC000004201900 557528698 /nfs/dbraw/zinc/52/86/98/557528698.db2.gz INFYAOPXWAMCGM-XZOQPEGZSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1 ZINC000004201901 557528653 /nfs/dbraw/zinc/52/86/53/557528653.db2.gz INFYAOPXWAMCGM-GOTSBHOMSA-N 1 1 412.880 5.144 50 0 HKAAMO c1[nH]c2ccccc2c1CN1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004271436 568957040 /nfs/dbraw/zinc/95/70/40/568957040.db2.gz KBRLSUOZEHLZMV-UHFFFAOYSA-N 1 1 423.604 5.877 50 0 HKAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004271444 568956980 /nfs/dbraw/zinc/95/69/80/568956980.db2.gz ZGXQKISLTJLHIV-XMMPIXPASA-N 1 1 414.549 5.350 50 0 HKAAMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)C1 ZINC000004271446 568957003 /nfs/dbraw/zinc/95/70/03/568957003.db2.gz ZGXQKISLTJLHIV-DEOSSOPVSA-N 1 1 414.549 5.350 50 0 HKAAMO Fc1ccc(C[N@H+]2CCCN(c3ncnc4scc(-c5ccccc5)c43)CC2)cc1 ZINC000004299568 557537406 /nfs/dbraw/zinc/53/74/06/557537406.db2.gz QESWSTJVKBFWRP-UHFFFAOYSA-N 1 1 418.541 5.210 50 0 HKAAMO Cc1cccc(Cl)c1NC(=O)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000004324523 132275379 /nfs/dbraw/zinc/27/53/79/132275379.db2.gz CXAQLSDDHPZFDO-UHFFFAOYSA-N 1 1 415.324 5.204 50 0 HKAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCCC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000004336084 557543503 /nfs/dbraw/zinc/54/35/03/557543503.db2.gz LSXCGYFCOPSKNL-UHFFFAOYSA-N 1 1 410.517 5.005 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)CC1CCCCC1 ZINC000004357392 558445622 /nfs/dbraw/zinc/44/56/22/558445622.db2.gz JNFBMBZQIMJUMB-SANMLTNESA-N 1 1 410.646 5.987 50 0 HKAAMO 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HFHCNNAFAISMFA-BEFAXECRSA-N 1 1 410.027 5.020 50 0 HKAAMO COc1ccc(Cl)cc1NC(=S)N1CCC([N@@H+](C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000004668289 558878261 /nfs/dbraw/zinc/87/82/61/558878261.db2.gz HFHCNNAFAISMFA-KXBFYZLASA-N 1 1 410.027 5.020 50 0 HKAAMO COc1ccc(Cl)cc1NC(=S)N1CCC([N@@H+](C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000004668290 558878297 /nfs/dbraw/zinc/87/82/97/558878297.db2.gz HFHCNNAFAISMFA-HNAYVOBHSA-N 1 1 410.027 5.020 50 0 HKAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@H]3C)CC2)cc1Cl ZINC000004668299 558878273 /nfs/dbraw/zinc/87/82/73/558878273.db2.gz DEERAPCNHYEUGD-BEFAXECRSA-N 1 1 410.027 5.020 50 0 HKAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)[C@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000004668300 558878250 /nfs/dbraw/zinc/87/82/50/558878250.db2.gz DEERAPCNHYEUGD-KXBFYZLASA-N 1 1 410.027 5.020 50 0 HKAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)[C@@H]3CCCC[C@@H]3C)CC2)cc1Cl ZINC000004668301 558878289 /nfs/dbraw/zinc/87/82/89/558878289.db2.gz DEERAPCNHYEUGD-HNAYVOBHSA-N 1 1 410.027 5.020 50 0 HKAAMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004668307 558878270 /nfs/dbraw/zinc/87/82/70/558878270.db2.gz YSPYAUOSLUZZSQ-BEFAXECRSA-N 1 1 413.553 5.377 50 0 HKAAMO C[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004668308 558878303 /nfs/dbraw/zinc/87/83/03/558878303.db2.gz YSPYAUOSLUZZSQ-KXBFYZLASA-N 1 1 413.553 5.377 50 0 HKAAMO C[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000004668309 558878331 /nfs/dbraw/zinc/87/83/31/558878331.db2.gz YSPYAUOSLUZZSQ-HNAYVOBHSA-N 1 1 413.553 5.377 50 0 HKAAMO CC(C)CC[N@@H+](C)C1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000004669246 558877205 /nfs/dbraw/zinc/87/72/05/558877205.db2.gz MBSPKXLYALGTTE-UHFFFAOYSA-N 1 1 411.615 5.618 50 0 HKAAMO COc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1OCc1ccccc1 ZINC000004675788 132282123 /nfs/dbraw/zinc/28/21/23/132282123.db2.gz ATVNYISTEZCGHW-UHFFFAOYSA-N 1 1 416.565 5.213 50 0 HKAAMO COc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)ccc1OCc1ccccc1 ZINC000004676681 132282293 /nfs/dbraw/zinc/28/22/93/132282293.db2.gz BKSRZWJKQHQOFA-UHFFFAOYSA-N 1 1 416.565 5.213 50 0 HKAAMO C[N@@H+](C1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1)C1CCCCCC1 ZINC000004683201 558894730 /nfs/dbraw/zinc/89/47/30/558894730.db2.gz UCBFFALMFDLXDL-UHFFFAOYSA-N 1 1 413.553 5.521 50 0 HKAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000004688076 132283452 /nfs/dbraw/zinc/28/34/52/132283452.db2.gz UVJOKFAAHJYCMH-UHFFFAOYSA-N 1 1 419.956 5.401 50 0 HKAAMO COc1ccc(Cl)cc1NC(=S)N1CCC([N@@H+](C)C2CCCCCC2)CC1 ZINC000004688560 558898939 /nfs/dbraw/zinc/89/89/39/558898939.db2.gz IQRZAUFASNLWSL-UHFFFAOYSA-N 1 1 410.027 5.164 50 0 HKAAMO COc1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCCCC3)CC2)cc1Cl ZINC000004688661 558899050 /nfs/dbraw/zinc/89/90/50/558899050.db2.gz RVYVOGJQTXJHOU-UHFFFAOYSA-N 1 1 410.027 5.164 50 0 HKAAMO CCCCOc1ccc(C(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1 ZINC000004694137 132283632 /nfs/dbraw/zinc/28/36/32/132283632.db2.gz FXXDXDQEWLGFPP-UHFFFAOYSA-N 1 1 423.944 5.030 50 0 HKAAMO CCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000004700320 558907763 /nfs/dbraw/zinc/90/77/63/558907763.db2.gz XQESZFVVDNKBBH-UHFFFAOYSA-N 1 1 405.369 5.254 50 0 HKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000004708902 558914061 /nfs/dbraw/zinc/91/40/61/558914061.db2.gz AZGJNGVYHULRCT-UHFFFAOYSA-N 1 1 400.488 6.002 50 0 HKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000004708902 558914062 /nfs/dbraw/zinc/91/40/62/558914062.db2.gz AZGJNGVYHULRCT-UHFFFAOYSA-N 1 1 400.488 6.002 50 0 HKAAMO COC(=O)c1ccccc1C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccc(F)cc1 ZINC000004710706 558916650 /nfs/dbraw/zinc/91/66/50/558916650.db2.gz WFNJUEPLGOBASU-UHFFFAOYSA-N 1 1 422.544 5.510 50 0 HKAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000004710901 132284611 /nfs/dbraw/zinc/28/46/11/132284611.db2.gz VKRZLSAJFDWLIH-UHFFFAOYSA-N 1 1 416.009 5.027 50 0 HKAAMO Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000004716053 558915503 /nfs/dbraw/zinc/91/55/03/558915503.db2.gz ROHLEPAAHCAKJO-JWQCQUIFSA-N 1 1 406.489 5.108 50 0 HKAAMO COC(=O)c1cccc(C[N@H+](Cc2cccn2Cc2cccc(C)c2)CC(C)C)c1 ZINC000004717097 558915855 /nfs/dbraw/zinc/91/58/55/558915855.db2.gz QQIZRBNQIDMYHG-UHFFFAOYSA-N 1 1 404.554 5.290 50 0 HKAAMO CC(C)(C)Nc1c(-c2ccc(C(C)(C)C)cc2)[nH+]c2ccc(Br)cn21 ZINC000004719940 558919037 /nfs/dbraw/zinc/91/90/37/558919037.db2.gz MDGBAGFDJKYOKW-UHFFFAOYSA-N 1 1 400.364 6.272 50 0 HKAAMO Cc1ccn2c(c1)[nH+]c(-c1ccc(C(F)(F)F)cc1)c2NC(C)(C)CC(C)(C)C ZINC000004720278 568937105 /nfs/dbraw/zinc/93/71/05/568937105.db2.gz CDNGRDOTFOHRTG-UHFFFAOYSA-N 1 1 403.492 6.955 50 0 HKAAMO CCCCN(Cc1ccccc1)C(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000004725525 557587311 /nfs/dbraw/zinc/58/73/11/557587311.db2.gz AAAXWXLQEUJYDI-UHFFFAOYSA-N 1 1 416.968 5.520 50 0 HKAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 ZINC000004736784 132286343 /nfs/dbraw/zinc/28/63/43/132286343.db2.gz YQRYJBIPOUYHID-UHFFFAOYSA-N 1 1 414.336 5.151 50 0 HKAAMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004744947 559046453 /nfs/dbraw/zinc/04/64/53/559046453.db2.gz KBZQQDJSSIHXRV-HSZRJFAPSA-N 1 1 410.989 5.033 50 0 HKAAMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000004744950 559046440 /nfs/dbraw/zinc/04/64/40/559046440.db2.gz KBZQQDJSSIHXRV-QHCPKHFHSA-N 1 1 410.989 5.033 50 0 HKAAMO CSc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000004745059 559046486 /nfs/dbraw/zinc/04/64/86/559046486.db2.gz WPYCCSDWVUEJDE-DEOSSOPVSA-N 1 1 422.638 5.102 50 0 HKAAMO CSc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000004745061 559046461 /nfs/dbraw/zinc/04/64/61/559046461.db2.gz WPYCCSDWVUEJDE-XMMPIXPASA-N 1 1 422.638 5.102 50 0 HKAAMO O=C(c1cccs1)N1CCC([N@@H+](CCc2ccccc2)Cc2ccccc2)CC1 ZINC000004745429 559046432 /nfs/dbraw/zinc/04/64/32/559046432.db2.gz VAXSQEASFFFIGN-UHFFFAOYSA-N 1 1 404.579 5.098 50 0 HKAAMO CCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(F)cc1 ZINC000004752218 559048778 /nfs/dbraw/zinc/04/87/78/559048778.db2.gz SAEFYKISUNHIDI-UHFFFAOYSA-N 1 1 422.544 5.211 50 0 HKAAMO CC[C@]1(C)C[C@@]2(CCC[N@@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000004769719 559055651 /nfs/dbraw/zinc/05/56/51/559055651.db2.gz GQLQFNCLQFWVRE-CLJLJLNGSA-N 1 1 407.598 5.374 50 0 HKAAMO CC[C@]1(C)C[C@]2(CCC[N@@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000004769722 559055595 /nfs/dbraw/zinc/05/55/95/559055595.db2.gz GQLQFNCLQFWVRE-FTJBHMTQSA-N 1 1 407.598 5.374 50 0 HKAAMO CC[C@@]1(C)C[C@]2(CCC[N@@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000004769725 559055641 /nfs/dbraw/zinc/05/56/41/559055641.db2.gz GQLQFNCLQFWVRE-UIOOFZCWSA-N 1 1 407.598 5.374 50 0 HKAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc2c3c(cccc31)CC2 ZINC000004783833 557597713 /nfs/dbraw/zinc/59/77/13/557597713.db2.gz FWRQXVSZLVQWOF-UHFFFAOYSA-N 1 1 406.529 5.579 50 0 HKAAMO Cc1ccc2c(c1)-c1c(=S)ssc1C(C)(C)N2C(=O)C[NH+]1CCCCC1 ZINC000004785455 132288432 /nfs/dbraw/zinc/28/84/32/132288432.db2.gz XOSZHUXUZBXQIY-UHFFFAOYSA-N 1 1 404.626 5.582 50 0 HKAAMO CCC(=O)N(CC[C@]1(c2ccccc2)C[C@H](C)[N@@H+](C)C[C@@H]1C)Cc1ccc(OC)cc1 ZINC000004785716 559063769 /nfs/dbraw/zinc/06/37/69/559063769.db2.gz FWOQAZJKWCARFG-BERHBOFZSA-N 1 1 422.613 5.122 50 0 HKAAMO CCC(=O)N(CC[C@]1(c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@@H]1C)Cc1ccc(OC)cc1 ZINC000004785718 559063793 /nfs/dbraw/zinc/06/37/93/559063793.db2.gz FWOQAZJKWCARFG-XXAUWVGASA-N 1 1 422.613 5.122 50 0 HKAAMO C[C@@]12CN(Cc3cccc(Br)c3)C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)C2 ZINC000004790829 559065560 /nfs/dbraw/zinc/06/55/60/559065560.db2.gz DZPHUFWAKUVOBO-ZRZAMGCNSA-N 1 1 413.403 5.183 50 0 HKAAMO CC(C)C[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004796902 559066125 /nfs/dbraw/zinc/06/61/25/559066125.db2.gz XTILSSUVTNVEQD-JOCHJYFZSA-N 1 1 420.981 5.211 50 0 HKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004796902 559066127 /nfs/dbraw/zinc/06/61/27/559066127.db2.gz XTILSSUVTNVEQD-JOCHJYFZSA-N 1 1 420.981 5.211 50 0 HKAAMO CC(C)C[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004796903 559066195 /nfs/dbraw/zinc/06/61/95/559066195.db2.gz XTILSSUVTNVEQD-QFIPXVFZSA-N 1 1 420.981 5.211 50 0 HKAAMO CC(C)C[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1ccccc1F ZINC000004796903 559066198 /nfs/dbraw/zinc/06/61/98/559066198.db2.gz XTILSSUVTNVEQD-QFIPXVFZSA-N 1 1 420.981 5.211 50 0 HKAAMO CC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004796972 559066374 /nfs/dbraw/zinc/06/63/74/559066374.db2.gz UZWPTDZVUXLWSO-SANMLTNESA-N 1 1 404.598 5.607 50 0 HKAAMO CC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000004796973 559066447 /nfs/dbraw/zinc/06/64/47/559066447.db2.gz UZWPTDZVUXLWSO-AREMUKBSSA-N 1 1 404.598 5.607 50 0 HKAAMO Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000004812355 557600828 /nfs/dbraw/zinc/60/08/28/557600828.db2.gz JQZQIJFMKOOPFP-DHIUTWEWSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000004812356 557600727 /nfs/dbraw/zinc/60/07/27/557600727.db2.gz JQZQIJFMKOOPFP-XZOQPEGZSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000004812358 557600722 /nfs/dbraw/zinc/60/07/22/557600722.db2.gz JQZQIJFMKOOPFP-PKTZIBPZSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)cc1 ZINC000004812359 557600737 /nfs/dbraw/zinc/60/07/37/557600737.db2.gz JQZQIJFMKOOPFP-GOTSBHOMSA-N 1 1 412.880 5.144 50 0 HKAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000004820265 557602510 /nfs/dbraw/zinc/60/25/10/557602510.db2.gz CWVBPMKCELIABZ-DAYGRLMNSA-N 1 1 405.369 5.440 50 0 HKAAMO COc1cc2c(cc1C[NH+]1CCN(c3ccccn3)CC1)oc(C)c2-c1ccccc1 ZINC000004834024 132290057 /nfs/dbraw/zinc/29/00/57/132290057.db2.gz NDTYVNUYAGYVLL-UHFFFAOYSA-N 1 1 413.521 5.134 50 0 HKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000004859476 557607593 /nfs/dbraw/zinc/60/75/93/557607593.db2.gz 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CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2cccc(F)c2)cc1 ZINC000004904202 557611628 /nfs/dbraw/zinc/61/16/28/557611628.db2.gz OVOQXQUCCYJNSF-UHFFFAOYSA-N 1 1 407.485 5.198 50 0 HKAAMO CC[N@@H+](CCCNC(=O)c1cc2cc3ccc(Cl)cc3nc2o1)Cc1ccccc1 ZINC000004908725 559201079 /nfs/dbraw/zinc/20/10/79/559201079.db2.gz NEQASOYQUXSYPA-UHFFFAOYSA-N 1 1 421.928 5.276 50 0 HKAAMO O=C(C[N@@H+](Cc1cccc(Cl)c1)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000004912023 557612640 /nfs/dbraw/zinc/61/26/40/557612640.db2.gz IBBSJGOGRUSATI-OAQYLSRUSA-N 1 1 421.393 5.232 50 0 HKAAMO O=C(C[N@H+](Cc1cccc(Cl)c1)C1CC1)N1CCS[C@@H]1c1ccccc1Cl ZINC000004912023 557612642 /nfs/dbraw/zinc/61/26/42/557612642.db2.gz IBBSJGOGRUSATI-OAQYLSRUSA-N 1 1 421.393 5.232 50 0 HKAAMO O=C(C[N@@H+](Cc1cccc(Cl)c1)C1CC1)N1CCS[C@H]1c1ccccc1Cl ZINC000004912027 557612681 /nfs/dbraw/zinc/61/26/81/557612681.db2.gz IBBSJGOGRUSATI-NRFANRHFSA-N 1 1 421.393 5.232 50 0 HKAAMO O=C(C[N@H+](Cc1cccc(Cl)c1)C1CC1)N1CCS[C@H]1c1ccccc1Cl ZINC000004912027 557612683 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557628232 /nfs/dbraw/zinc/62/82/32/557628232.db2.gz GQYVZWRHFRDSGB-QHCPKHFHSA-N 1 1 404.554 5.559 50 0 HKAAMO COc1ccc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)c(OC)c1C ZINC000005032526 557628235 /nfs/dbraw/zinc/62/82/35/557628235.db2.gz GQYVZWRHFRDSGB-QHCPKHFHSA-N 1 1 404.554 5.559 50 0 HKAAMO Cc1ccc([C@H](OCC[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000005044970 559236479 /nfs/dbraw/zinc/23/64/79/559236479.db2.gz FXTDKFHLBDYYTF-HHHXNRCGSA-N 1 1 416.565 5.288 50 0 HKAAMO Cc1ccc([C@H](OCC[N@H+](C)CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000005044970 559236481 /nfs/dbraw/zinc/23/64/81/559236481.db2.gz FXTDKFHLBDYYTF-HHHXNRCGSA-N 1 1 416.565 5.288 50 0 HKAAMO Cc1ccc([C@@H](OCC[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000005044971 559236467 /nfs/dbraw/zinc/23/64/67/559236467.db2.gz FXTDKFHLBDYYTF-MHZLTWQESA-N 1 1 416.565 5.288 50 0 HKAAMO Cc1ccc([C@@H](OCC[N@H+](C)CC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000005044971 559236469 /nfs/dbraw/zinc/23/64/69/559236469.db2.gz FXTDKFHLBDYYTF-MHZLTWQESA-N 1 1 416.565 5.288 50 0 HKAAMO CC[C@@H]1CCCC[N@H+]1CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000005055219 557631946 /nfs/dbraw/zinc/63/19/46/557631946.db2.gz KAANBDWBTSXQKU-HXUWFJFHSA-N 1 1 414.557 5.011 50 0 HKAAMO CC[C@H]1CCCC[N@H+]1CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn21 ZINC000005055220 557631970 /nfs/dbraw/zinc/63/19/70/557631970.db2.gz KAANBDWBTSXQKU-FQEVSTJZSA-N 1 1 414.557 5.011 50 0 HKAAMO CC[NH+]1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 ZINC000005063889 132300130 /nfs/dbraw/zinc/30/01/30/132300130.db2.gz JCNLXXLYNNHXMR-UHFFFAOYSA-N 1 1 416.009 5.027 50 0 HKAAMO COC(=O)c1ccccc1C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccc(C)cc1 ZINC000005097481 559245121 /nfs/dbraw/zinc/24/51/21/559245121.db2.gz GUZZJBNCABHZDS-UHFFFAOYSA-N 1 1 418.581 5.680 50 0 HKAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000005111816 559247106 /nfs/dbraw/zinc/24/71/06/559247106.db2.gz MNGYWBUQXOKZOJ-UHFFFAOYSA-N 1 1 400.522 5.372 50 0 HKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc2c(s1)-c1ccccc1SC2 ZINC000005141801 559251717 /nfs/dbraw/zinc/25/17/17/559251717.db2.gz DXMTYDIGMRQILA-UHFFFAOYSA-N 1 1 420.603 5.199 50 0 HKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000005163658 559275560 /nfs/dbraw/zinc/27/55/60/559275560.db2.gz WHZYEDGTWVFQTK-ZTCOLXNVSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000005163660 559275586 /nfs/dbraw/zinc/27/55/86/559275586.db2.gz WHZYEDGTWVFQTK-HUVFLSCGSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1OC ZINC000005215226 560542905 /nfs/dbraw/zinc/54/29/05/560542905.db2.gz SCUTXQRXFFYAIA-IEXUWNMDSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1OC ZINC000005215227 560542912 /nfs/dbraw/zinc/54/29/12/560542912.db2.gz SCUTXQRXFFYAIA-FOVJLYNBSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)c1 ZINC000005217033 560543829 /nfs/dbraw/zinc/54/38/29/560543829.db2.gz GLHGQZPOQWRWTJ-ZTCOLXNVSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2Cc2ccccc2Cl)c1 ZINC000005217037 560543834 /nfs/dbraw/zinc/54/38/34/560543834.db2.gz GLHGQZPOQWRWTJ-HUVFLSCGSA-N 1 1 415.961 5.226 50 0 HKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000005308847 557644193 /nfs/dbraw/zinc/64/41/93/557644193.db2.gz PDXVYZCYGBPUAD-VVZGZWEYSA-N 1 1 413.605 6.889 50 0 HKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 ZINC000005377850 132305429 /nfs/dbraw/zinc/30/54/29/132305429.db2.gz SBKUSEABBNXPMM-UHFFFAOYSA-N 1 1 412.748 5.041 50 0 HKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 ZINC000005424600 557653201 /nfs/dbraw/zinc/65/32/01/557653201.db2.gz NYSJESQNLHOFRH-RVKKMQEKSA-N 1 1 405.369 5.725 50 0 HKAAMO Cc1cc(Nc2ccc(C(=O)OCC(C)C)cc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000005520736 560605234 /nfs/dbraw/zinc/60/52/34/560605234.db2.gz KXFLKOFZHBDHEB-UHFFFAOYSA-N 1 1 402.416 6.118 50 0 HKAAMO C[C@@]12CN(Cc3ccc(Br)cc3)C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)C2 ZINC000005531150 560607093 /nfs/dbraw/zinc/60/70/93/560607093.db2.gz FKBSJNGFRWUAAW-ZRZAMGCNSA-N 1 1 413.403 5.183 50 0 HKAAMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005602942 560628813 /nfs/dbraw/zinc/62/88/13/560628813.db2.gz FQCKFBWOIYBMAE-YADHBBJMSA-N 1 1 422.396 5.725 50 0 HKAAMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005602945 560628786 /nfs/dbraw/zinc/62/87/86/560628786.db2.gz FQCKFBWOIYBMAE-VXKWHMMOSA-N 1 1 422.396 5.725 50 0 HKAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000005602983 560628838 /nfs/dbraw/zinc/62/88/38/560628838.db2.gz HZGYJRYBXODOSF-JKSBSHDWSA-N 1 1 422.396 5.438 50 0 HKAAMO c1nc2sc3c(c2c(Nc2ccc4c(c2)[nH+]c2n4CCCCC2)n1)CCCCC3 ZINC000005636718 560635581 /nfs/dbraw/zinc/63/55/81/560635581.db2.gz YQLWRXZQCVLIBT-UHFFFAOYSA-N 1 1 403.555 5.780 50 0 HKAAMO CCOc1ccccc1C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1ccc(CC)cc1 ZINC000005657613 560636959 /nfs/dbraw/zinc/63/69/59/560636959.db2.gz MTCRYMSDSDRMDO-UHFFFAOYSA-N 1 1 417.549 5.621 50 0 HKAAMO O=c1c(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000005673206 557667949 /nfs/dbraw/zinc/66/79/49/557667949.db2.gz LLICZBYZJGQUEJ-UHFFFAOYSA-N 1 1 404.268 5.528 50 0 HKAAMO O=c1c(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000005673206 557667951 /nfs/dbraw/zinc/66/79/51/557667951.db2.gz LLICZBYZJGQUEJ-UHFFFAOYSA-N 1 1 404.268 5.528 50 0 HKAAMO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000005698955 560789714 /nfs/dbraw/zinc/78/97/14/560789714.db2.gz GUAHHIHOYRGRSC-ZRBLBEILSA-N 1 1 403.909 5.325 50 0 HKAAMO C[N@H+]1C[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000005698955 560789716 /nfs/dbraw/zinc/78/97/16/560789716.db2.gz GUAHHIHOYRGRSC-ZRBLBEILSA-N 1 1 403.909 5.325 50 0 HKAAMO Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000005737991 557672101 /nfs/dbraw/zinc/67/21/01/557672101.db2.gz FSAOZVHTZNUKHR-DHIUTWEWSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)N3NC=NC3=[NH+]1)[C@H](c1ccccc1)O2 ZINC000005737993 557672108 /nfs/dbraw/zinc/67/21/08/557672108.db2.gz FSAOZVHTZNUKHR-PKTZIBPZSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000005737995 557672094 /nfs/dbraw/zinc/67/20/94/557672094.db2.gz DEVKQHCYZFSNEC-DHIUTWEWSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000005737997 557672047 /nfs/dbraw/zinc/67/20/47/557672047.db2.gz DEVKQHCYZFSNEC-PKTZIBPZSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc2c(c1)C1=C([C@@H](c3ccccc3)O2)[C@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000005738166 557672055 /nfs/dbraw/zinc/67/20/55/557672055.db2.gz FSAOZVHTZNUKHR-XZOQPEGZSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccc2c(c1)C1=C([C@H](c3ccccc3)O2)[C@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000005738171 557672025 /nfs/dbraw/zinc/67/20/25/557672025.db2.gz FSAOZVHTZNUKHR-GOTSBHOMSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000005738175 557672085 /nfs/dbraw/zinc/67/20/85/557672085.db2.gz DEVKQHCYZFSNEC-XZOQPEGZSA-N 1 1 412.880 5.144 50 0 HKAAMO Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000005738180 557671985 /nfs/dbraw/zinc/67/19/85/557671985.db2.gz DEVKQHCYZFSNEC-GOTSBHOMSA-N 1 1 412.880 5.144 50 0 HKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000005867253 568826979 /nfs/dbraw/zinc/82/69/79/568826979.db2.gz CFUDVZQSUZGFRZ-APNVUFTPSA-N 1 1 411.611 5.267 50 0 HKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccs1)C12CC3CC(CC(C3)C1)C2 ZINC000005867259 568827028 /nfs/dbraw/zinc/82/70/28/568827028.db2.gz CFUDVZQSUZGFRZ-UQQXROCHSA-N 1 1 411.611 5.267 50 0 HKAAMO Cc1cc(Nc2ccc(OCc3ccccc3Cl)cc2)c2cc(Cl)ccc2[nH+]1 ZINC000006008449 558559152 /nfs/dbraw/zinc/55/91/52/558559152.db2.gz REHXAGJADGTWTQ-UHFFFAOYSA-N 1 1 409.316 6.595 50 0 HKAAMO CCOc1ccc2oc(C(=O)Nc3ccccc3C[N@@H+](C)C3CCCCC3)c(C)c2c1 ZINC000006052941 568988470 /nfs/dbraw/zinc/98/84/70/568988470.db2.gz GJFPYEATLSMNMP-UHFFFAOYSA-N 1 1 420.553 6.157 50 0 HKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006175583 569017162 /nfs/dbraw/zinc/01/71/62/569017162.db2.gz BNJCFVMKBBNGGG-IBVKSMDESA-N 1 1 411.549 5.392 50 0 HKAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 ZINC000006199805 569031547 /nfs/dbraw/zinc/03/15/47/569031547.db2.gz BNJCFVMKBBNGGG-FNZWTVRRSA-N 1 1 411.549 5.392 50 0 HKAAMO COc1ccc([C@H]2C[N@@H+](C)C[C@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000006228412 569033571 /nfs/dbraw/zinc/03/35/71/569033571.db2.gz LSZXSJRLEMPHQV-FGZHOGPDSA-N 1 1 411.973 5.924 50 0 HKAAMO CCCN(CCC)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 ZINC000006323824 569043289 /nfs/dbraw/zinc/04/32/89/569043289.db2.gz DQMZRDFXMOOCSU-UHFFFAOYSA-N 1 1 414.553 6.113 50 0 HKAAMO CSc1ccc(C[N@@H+](C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530329 569063451 /nfs/dbraw/zinc/06/34/51/569063451.db2.gz NXDKGKAEGNEFPJ-RSXGOPAZSA-N 1 1 421.606 5.316 50 0 HKAAMO CSc1ccc(C[N@@H+](C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530331 569063415 /nfs/dbraw/zinc/06/34/15/569063415.db2.gz NXDKGKAEGNEFPJ-AZGAKELHSA-N 1 1 421.606 5.316 50 0 HKAAMO CSc1ccc(C[N@@H+](C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 ZINC000006530332 569063420 /nfs/dbraw/zinc/06/34/20/569063420.db2.gz NXDKGKAEGNEFPJ-AHWVRZQESA-N 1 1 421.606 5.316 50 0 HKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006592865 569068772 /nfs/dbraw/zinc/06/87/72/569068772.db2.gz BNJCFVMKBBNGGG-FQRUVTKNSA-N 1 1 411.549 5.392 50 0 HKAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 ZINC000006592874 569068757 /nfs/dbraw/zinc/06/87/57/569068757.db2.gz BNJCFVMKBBNGGG-RXFWQSSRSA-N 1 1 411.549 5.392 50 0 HKAAMO Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(Oc3ccccc3Cl)c2c1C ZINC000006602572 569069940 /nfs/dbraw/zinc/06/99/40/569069940.db2.gz LYMPMTFONZPAOZ-UHFFFAOYSA-N 1 1 401.963 5.986 50 0 HKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000006616564 569074712 /nfs/dbraw/zinc/07/47/12/569074712.db2.gz SCPJABMZZLHENK-FQEVSTJZSA-N 1 1 411.502 5.343 50 0 HKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 ZINC000006616579 569074715 /nfs/dbraw/zinc/07/47/15/569074715.db2.gz SCPJABMZZLHENK-HXUWFJFHSA-N 1 1 411.502 5.343 50 0 HKAAMO O=C(C[NH+]1CCC(Cc2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 ZINC000006637687 569076857 /nfs/dbraw/zinc/07/68/57/569076857.db2.gz PQPSXKFXVYTWPU-UHFFFAOYSA-N 1 1 416.590 5.731 50 0 HKAAMO CCOc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC ZINC000006639749 569078003 /nfs/dbraw/zinc/07/80/03/569078003.db2.gz UPSVXKSMDHJMEU-UHFFFAOYSA-N 1 1 413.602 6.027 50 0 HKAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)c(OC)c1 ZINC000006642149 569078274 /nfs/dbraw/zinc/07/82/74/569078274.db2.gz KHTQBWLJEZPZAP-OMZFVACUSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)c1 ZINC000006642256 569078317 /nfs/dbraw/zinc/07/83/17/569078317.db2.gz NGTYIDRNJTUKEY-OMZFVACUSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO CSCC[C@H]([NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1nc2ccccc2[nH]1 ZINC000006652349 569081798 /nfs/dbraw/zinc/08/17/98/569081798.db2.gz BDDRKOZXOSBHDD-QFIPXVFZSA-N 1 1 423.561 5.089 50 0 HKAAMO CSCC[C@@H]([NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C)c1nc2ccccc2[nH]1 ZINC000006652352 569081839 /nfs/dbraw/zinc/08/18/39/569081839.db2.gz BDDRKOZXOSBHDD-JOCHJYFZSA-N 1 1 423.561 5.089 50 0 HKAAMO Clc1ccc2ccccc2c1OCCCCC[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000006673229 569087195 /nfs/dbraw/zinc/08/71/95/569087195.db2.gz CRYJQBVZDPENQK-XMMPIXPASA-N 1 1 408.973 6.665 50 0 HKAAMO Clc1ccc2ccccc2c1OCCCCC[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000006673232 569087190 /nfs/dbraw/zinc/08/71/90/569087190.db2.gz CRYJQBVZDPENQK-DEOSSOPVSA-N 1 1 408.973 6.665 50 0 biogenic HKAAMO Clc1ccc(OCCOCC[N@H+]2CCCC[C@@H]2c2cccnc2)c2ccccc12 ZINC000006719410 569097758 /nfs/dbraw/zinc/09/77/58/569097758.db2.gz XJRGGTBCZSMPKH-HSZRJFAPSA-N 1 1 410.945 5.511 50 0 HKAAMO Clc1ccc(OCCOCC[N@H+]2CCCC[C@H]2c2cccnc2)c2ccccc12 ZINC000006719411 569097680 /nfs/dbraw/zinc/09/76/80/569097680.db2.gz XJRGGTBCZSMPKH-QHCPKHFHSA-N 1 1 410.945 5.511 50 0 biogenic HKAAMO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000006750543 569109345 /nfs/dbraw/zinc/10/93/45/569109345.db2.gz FQMQZDKXLGOEAM-UHFFFAOYSA-N 1 1 410.320 5.261 50 0 HKAAMO Cc1ccc(-c2c(=O)c3cc(Cl)ccc3oc2NC(=O)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000006754883 569111114 /nfs/dbraw/zinc/11/11/14/569111114.db2.gz VNIYDRWIJPYSKT-INIZCTEOSA-N 1 1 424.928 5.092 50 0 HKAAMO Cc1ccc(-c2c(=O)c3cc(Cl)ccc3oc2NC(=O)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000006754883 569111115 /nfs/dbraw/zinc/11/11/15/569111115.db2.gz VNIYDRWIJPYSKT-INIZCTEOSA-N 1 1 424.928 5.092 50 0 HKAAMO Cc1ccc(-c2c(=O)c3cc(Cl)ccc3oc2NC(=O)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000006754884 569111137 /nfs/dbraw/zinc/11/11/37/569111137.db2.gz VNIYDRWIJPYSKT-MRXNPFEDSA-N 1 1 424.928 5.092 50 0 HKAAMO Cc1ccc(-c2c(=O)c3cc(Cl)ccc3oc2NC(=O)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000006754884 569111138 /nfs/dbraw/zinc/11/11/38/569111138.db2.gz VNIYDRWIJPYSKT-MRXNPFEDSA-N 1 1 424.928 5.092 50 0 HKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780511 569119721 /nfs/dbraw/zinc/11/97/21/569119721.db2.gz WGHBSYRKPQYQJH-LJQANCHMSA-N 1 1 424.614 5.088 50 0 HKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000006780514 569119716 /nfs/dbraw/zinc/11/97/16/569119716.db2.gz WGHBSYRKPQYQJH-IBGZPJMESA-N 1 1 424.614 5.088 50 0 HKAAMO Cc1cc(C)c2c(n1)sc(C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c2-n1cccc1 ZINC000006780537 569119728 /nfs/dbraw/zinc/11/97/28/569119728.db2.gz GERGLDNEKIQOIS-KDURUIRLSA-N 1 1 424.614 5.087 50 0 HKAAMO Fc1ccc(-c2csc3ncnc(N[C@H]4CC[N@@H+](Cc5ccccc5)C4)c23)cc1 ZINC000006785867 569121822 /nfs/dbraw/zinc/12/18/22/569121822.db2.gz GLGDVHMEQLEMMV-IBGZPJMESA-N 1 1 404.514 5.184 50 0 HKAAMO Fc1ccc(-c2csc3ncnc(N[C@@H]4CC[N@@H+](Cc5ccccc5)C4)c23)cc1 ZINC000006785869 569121772 /nfs/dbraw/zinc/12/17/72/569121772.db2.gz GLGDVHMEQLEMMV-LJQANCHMSA-N 1 1 404.514 5.184 50 0 HKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808546 569132179 /nfs/dbraw/zinc/13/21/79/569132179.db2.gz VLKXZOWBFZWQCO-CYBMUJFWSA-N 1 1 407.004 5.278 50 0 HKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808547 569132230 /nfs/dbraw/zinc/13/22/30/569132230.db2.gz VLKXZOWBFZWQCO-ZDUSSCGKSA-N 1 1 407.004 5.278 50 0 HKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000006808548 569132360 /nfs/dbraw/zinc/13/23/60/569132360.db2.gz QBXQOQUKFWOCMH-CQSZACIVSA-N 1 1 421.031 5.526 50 0 HKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)C1 ZINC000006808549 569132324 /nfs/dbraw/zinc/13/23/24/569132324.db2.gz QBXQOQUKFWOCMH-AWEZNQCLSA-N 1 1 421.031 5.526 50 0 HKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808553 568459874 /nfs/dbraw/zinc/45/98/74/568459874.db2.gz JIGACYNOCMAFDF-CQSZACIVSA-N 1 1 421.031 5.669 50 0 HKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000006808554 569131588 /nfs/dbraw/zinc/13/15/88/569131588.db2.gz JIGACYNOCMAFDF-AWEZNQCLSA-N 1 1 421.031 5.669 50 0 HKAAMO CCCC[N@@H+](CCCn1cnc2c3cc(Cl)ccc3[nH]c2c1=O)Cc1ccccc1 ZINC000006809355 569133457 /nfs/dbraw/zinc/13/34/57/569133457.db2.gz AANWOQGRJWUOAJ-UHFFFAOYSA-N 1 1 422.960 5.224 50 0 HKAAMO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1OC ZINC000006847523 569154012 /nfs/dbraw/zinc/15/40/12/569154012.db2.gz KLLUXTMIHCIHJO-CDCUFJRJSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO CCCC[N@@H+](C)CCCNC(=O)CCc1cn(Cc2ccc(C)cc2)c2ccccc12 ZINC000006858151 569156863 /nfs/dbraw/zinc/15/68/63/569156863.db2.gz PTWNZMJGXRDSMG-UHFFFAOYSA-N 1 1 419.613 5.169 50 0 HKAAMO CN(Cc1ccccc1)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006871594 569162096 /nfs/dbraw/zinc/16/20/96/569162096.db2.gz GTVPYLIOULSYAG-UHFFFAOYSA-N 1 1 408.480 5.863 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(C)Cc2ccccc2)cc1 ZINC000006871595 569162106 /nfs/dbraw/zinc/16/21/06/569162106.db2.gz BCSBXKLIYUNNNK-UHFFFAOYSA-N 1 1 420.516 5.733 50 0 HKAAMO CC[C@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877428 569164196 /nfs/dbraw/zinc/16/41/96/569164196.db2.gz RGVJHDYIBRHUPD-IBGZPJMESA-N 1 1 422.598 5.416 50 0 HKAAMO CC[C@@H](NC(=O)Nc1cccc(C)c1C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877429 569164210 /nfs/dbraw/zinc/16/42/10/569164210.db2.gz RGVJHDYIBRHUPD-LJQANCHMSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[C@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877430 569164233 /nfs/dbraw/zinc/16/42/33/569164233.db2.gz CDNYRSUSZJUZPY-FQEVSTJZSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[C@@H](NC(=O)Nc1ccc(C)c(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877431 569164300 /nfs/dbraw/zinc/16/43/00/569164300.db2.gz CDNYRSUSZJUZPY-HXUWFJFHSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[C@H](NC(=O)Nc1cc(C)ccc1C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877432 569164308 /nfs/dbraw/zinc/16/43/08/569164308.db2.gz SNXJOLBLQZTHFJ-IBGZPJMESA-N 1 1 422.598 5.416 50 0 HKAAMO CC[C@@H](NC(=O)Nc1cc(C)ccc1C)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877433 569164248 /nfs/dbraw/zinc/16/42/48/569164248.db2.gz SNXJOLBLQZTHFJ-LJQANCHMSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[C@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877434 569164175 /nfs/dbraw/zinc/16/41/75/569164175.db2.gz CYBGFASFUKVIBE-FQEVSTJZSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[C@@H](NC(=O)Nc1cc(C)cc(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877435 569164273 /nfs/dbraw/zinc/16/42/73/569164273.db2.gz CYBGFASFUKVIBE-HXUWFJFHSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[C@H](NC(=O)Nc1cccc(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877436 569164167 /nfs/dbraw/zinc/16/41/67/569164167.db2.gz PLQNYXJQQTYVFJ-IBGZPJMESA-N 1 1 408.571 5.108 50 0 HKAAMO CC[C@@H](NC(=O)Nc1cccc(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000006877437 569164158 /nfs/dbraw/zinc/16/41/58/569164158.db2.gz PLQNYXJQQTYVFJ-LJQANCHMSA-N 1 1 408.571 5.108 50 0 HKAAMO CC[C@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000006877440 569164138 /nfs/dbraw/zinc/16/41/38/569164138.db2.gz BCDVSJNFQPPQLX-FQEVSTJZSA-N 1 1 422.598 5.498 50 0 HKAAMO CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000006877441 569164284 /nfs/dbraw/zinc/16/42/84/569164284.db2.gz BCDVSJNFQPPQLX-HXUWFJFHSA-N 1 1 422.598 5.498 50 0 HKAAMO CCc1ccc(NC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)cc1 ZINC000006877444 569164333 /nfs/dbraw/zinc/16/43/33/569164333.db2.gz BXPQHLDFGULBPV-KRWDZBQOSA-N 1 1 422.598 5.362 50 0 HKAAMO CCc1ccc(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@@H+](CC)CC3)cc1 ZINC000006877445 569164394 /nfs/dbraw/zinc/16/43/94/569164394.db2.gz BXPQHLDFGULBPV-QGZVFWFLSA-N 1 1 422.598 5.362 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2cccc(C)c2C)C1 ZINC000006877446 569164367 /nfs/dbraw/zinc/16/43/67/569164367.db2.gz UBXGRHXPVLOIIY-GOSISDBHSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2cccc(C)c2C)C1 ZINC000006877447 569164338 /nfs/dbraw/zinc/16/43/38/569164338.db2.gz UBXGRHXPVLOIIY-SFHVURJKSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000006877448 569164408 /nfs/dbraw/zinc/16/44/08/569164408.db2.gz UTHNATOZTOEKHC-GOSISDBHSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000006877449 569164403 /nfs/dbraw/zinc/16/44/03/569164403.db2.gz UTHNATOZTOEKHC-SFHVURJKSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000006877450 569164443 /nfs/dbraw/zinc/16/44/43/569164443.db2.gz AGVTUDXTAJDOEM-QGZVFWFLSA-N 1 1 408.571 5.108 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)cc2)C1 ZINC000006877451 569164458 /nfs/dbraw/zinc/16/44/58/569164458.db2.gz AGVTUDXTAJDOEM-KRWDZBQOSA-N 1 1 408.571 5.108 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccccc2C)C1 ZINC000006877452 569164420 /nfs/dbraw/zinc/16/44/20/569164420.db2.gz ATEXUYQEHYKYDQ-QGZVFWFLSA-N 1 1 408.571 5.108 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccccc2C)C1 ZINC000006877453 569164360 /nfs/dbraw/zinc/16/43/60/569164360.db2.gz ATEXUYQEHYKYDQ-KRWDZBQOSA-N 1 1 408.571 5.108 50 0 HKAAMO CCc1ccccc1NC(=O)N[C@@H](C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000006877454 569164462 /nfs/dbraw/zinc/16/44/62/569164462.db2.gz ULNQWSGKZPZNLN-KRWDZBQOSA-N 1 1 422.598 5.362 50 0 HKAAMO CCc1ccccc1NC(=O)N[C@H](C)c1c2c(sc1-n1cccc1)C[N@@H+](CC)CC2 ZINC000006877455 569164414 /nfs/dbraw/zinc/16/44/14/569164414.db2.gz ULNQWSGKZPZNLN-QGZVFWFLSA-N 1 1 422.598 5.362 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@@H](C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000006877456 569164465 /nfs/dbraw/zinc/16/44/65/569164465.db2.gz CBZANGGTDBXNCE-GOSISDBHSA-N 1 1 422.598 5.416 50 0 HKAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2[C@H](C)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000006877457 569164372 /nfs/dbraw/zinc/16/43/72/569164372.db2.gz CBZANGGTDBXNCE-SFHVURJKSA-N 1 1 422.598 5.416 50 0 HKAAMO Cc1ccc(-c2csc3ncnc(NC[C@@H](c4ccccc4Cl)[NH+](C)C)c23)cc1 ZINC000006881357 569167835 /nfs/dbraw/zinc/16/78/35/569167835.db2.gz XZYFHPOTXZBJJK-FQEVSTJZSA-N 1 1 422.985 6.035 50 0 HKAAMO Cc1ccc(-c2csc3ncnc(NC[C@H](c4ccccc4Cl)[NH+](C)C)c23)cc1 ZINC000006881358 569167788 /nfs/dbraw/zinc/16/77/88/569167788.db2.gz XZYFHPOTXZBJJK-HXUWFJFHSA-N 1 1 422.985 6.035 50 0 HKAAMO Clc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4ccccc43)CC2)cc1 ZINC000006881382 569167846 /nfs/dbraw/zinc/16/78/46/569167846.db2.gz ICPXNKBKMKDBBI-UHFFFAOYSA-N 1 1 414.940 5.272 50 0 HKAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000006913237 569179474 /nfs/dbraw/zinc/17/94/74/569179474.db2.gz QUILLGZAXASMIG-FQEVSTJZSA-N 1 1 417.597 5.301 50 0 HKAAMO Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)cc12 ZINC000006913242 569179476 /nfs/dbraw/zinc/17/94/76/569179476.db2.gz QUILLGZAXASMIG-HXUWFJFHSA-N 1 1 417.597 5.301 50 0 HKAAMO CC[N@@H+](CCCNC(=O)c1ccc(N2CCc3ccccc32)s1)Cc1ccccc1 ZINC000006913852 569179832 /nfs/dbraw/zinc/17/98/32/569179832.db2.gz RSGDIJUXSVCXKW-UHFFFAOYSA-N 1 1 419.594 5.084 50 0 HKAAMO COc1ccc(NC(=O)[C@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000006935578 569186194 /nfs/dbraw/zinc/18/61/94/569186194.db2.gz YIFPLLFMGRIWKL-ISKFKSNPSA-N 1 1 420.940 5.696 50 0 HKAAMO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000006935581 569186186 /nfs/dbraw/zinc/18/61/86/569186186.db2.gz YIFPLLFMGRIWKL-VWNXMTODSA-N 1 1 420.940 5.696 50 0 HKAAMO COc1ccc(NC(=O)[C@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000006935584 569186170 /nfs/dbraw/zinc/18/61/70/569186170.db2.gz YIFPLLFMGRIWKL-LADGPHEKSA-N 1 1 420.940 5.696 50 0 HKAAMO COc1ccc(NC(=O)[C@@H]([NH2+][C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl ZINC000006935587 569186210 /nfs/dbraw/zinc/18/62/10/569186210.db2.gz YIFPLLFMGRIWKL-UPVQGACJSA-N 1 1 420.940 5.696 50 0 HKAAMO C[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1cc2ccccc2o1 ZINC000006978739 569192585 /nfs/dbraw/zinc/19/25/85/569192585.db2.gz MSNLUIWVWUHRAD-INIZCTEOSA-N 1 1 419.550 5.099 50 0 HKAAMO C[C@@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1cc2ccccc2o1 ZINC000006978742 569192581 /nfs/dbraw/zinc/19/25/81/569192581.db2.gz MSNLUIWVWUHRAD-MRXNPFEDSA-N 1 1 419.550 5.099 50 0 HKAAMO Cc1cccc(C[N@@H+](C)CCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 ZINC000007078297 569217965 /nfs/dbraw/zinc/21/79/65/569217965.db2.gz HTAITCAZHVHSQM-UHFFFAOYSA-N 1 1 414.376 6.540 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000007268213 569231116 /nfs/dbraw/zinc/23/11/16/569231116.db2.gz OARDHLOEWRFYGG-GAJHUEQPSA-N 1 1 408.929 5.688 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000007268214 569231114 /nfs/dbraw/zinc/23/11/14/569231114.db2.gz OARDHLOEWRFYGG-SBUREZEXSA-N 1 1 408.929 5.688 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000007268215 569231122 /nfs/dbraw/zinc/23/11/22/569231122.db2.gz OARDHLOEWRFYGG-UZUQRXQVSA-N 1 1 408.929 5.688 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1)c1ccccc1 ZINC000007268216 569231134 /nfs/dbraw/zinc/23/11/34/569231134.db2.gz OARDHLOEWRFYGG-HXOBKFHXSA-N 1 1 408.929 5.688 50 0 HKAAMO C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@@H]1CCCc2ccccc21 ZINC000007327923 569233713 /nfs/dbraw/zinc/23/37/13/569233713.db2.gz FAMKWGRPMSLOFH-HXUWFJFHSA-N 1 1 401.535 5.161 50 0 HKAAMO C[N@H+](Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)[C@H]1CCCc2ccccc21 ZINC000007327924 569233665 /nfs/dbraw/zinc/23/36/65/569233665.db2.gz FAMKWGRPMSLOFH-FQEVSTJZSA-N 1 1 401.535 5.161 50 0 HKAAMO O=c1nc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000007328140 569233609 /nfs/dbraw/zinc/23/36/09/569233609.db2.gz DGNAVYCUSZQRHE-LSDHHAIUSA-N 1 1 413.974 5.317 50 0 HKAAMO O=c1nc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)[nH]c2scc(-c3ccccc3Cl)c21 ZINC000007328142 569233649 /nfs/dbraw/zinc/23/36/49/569233649.db2.gz DGNAVYCUSZQRHE-HUUCEWRRSA-N 1 1 413.974 5.317 50 0 HKAAMO Clc1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000007337534 568479153 /nfs/dbraw/zinc/47/91/53/568479153.db2.gz JVZKJMDJTCMUHA-UHFFFAOYSA-N 1 1 410.930 5.379 50 0 HKAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000007362967 569235425 /nfs/dbraw/zinc/23/54/25/569235425.db2.gz LQNDAVWQHMUGRK-HXUWFJFHSA-N 1 1 412.580 5.189 50 0 HKAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000007362967 569235427 /nfs/dbraw/zinc/23/54/27/569235427.db2.gz LQNDAVWQHMUGRK-HXUWFJFHSA-N 1 1 412.580 5.189 50 0 HKAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000007362974 569235438 /nfs/dbraw/zinc/23/54/38/569235438.db2.gz LQNDAVWQHMUGRK-FQEVSTJZSA-N 1 1 412.580 5.189 50 0 HKAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000007362974 569235440 /nfs/dbraw/zinc/23/54/40/569235440.db2.gz LQNDAVWQHMUGRK-FQEVSTJZSA-N 1 1 412.580 5.189 50 0 HKAAMO COc1ccc(C[NH2+][C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000007388041 569236113 /nfs/dbraw/zinc/23/61/13/569236113.db2.gz SVANLYNFGVSHFP-NRFANRHFSA-N 1 1 414.427 5.184 50 0 HKAAMO COc1ccc(C[NH2+][C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 ZINC000007388045 569236073 /nfs/dbraw/zinc/23/60/73/569236073.db2.gz SVANLYNFGVSHFP-OAQYLSRUSA-N 1 1 414.427 5.184 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@@H]1CCCc2ccccc21 ZINC000007583078 569283335 /nfs/dbraw/zinc/28/33/35/569283335.db2.gz LCXDIGSQFQSOEV-JOCHJYFZSA-N 1 1 419.594 5.012 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCCc2ccccc21 ZINC000007583082 569283380 /nfs/dbraw/zinc/28/33/80/569283380.db2.gz LCXDIGSQFQSOEV-QFIPXVFZSA-N 1 1 419.594 5.012 50 0 HKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)o1 ZINC000007583098 569283322 /nfs/dbraw/zinc/28/33/22/569283322.db2.gz RJPFLASGSBDRLI-HXUWFJFHSA-N 1 1 400.482 5.209 50 0 HKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)[C@@H]2CCCc3ccccc32)o1 ZINC000007583098 569283324 /nfs/dbraw/zinc/28/33/24/569283324.db2.gz RJPFLASGSBDRLI-HXUWFJFHSA-N 1 1 400.482 5.209 50 0 HKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@@H+](C)[C@H]2CCCc3ccccc32)o1 ZINC000007583101 569283367 /nfs/dbraw/zinc/28/33/67/569283367.db2.gz RJPFLASGSBDRLI-FQEVSTJZSA-N 1 1 400.482 5.209 50 0 HKAAMO Cc1onc(-c2ccccc2)c1-c1nnc(C[N@H+](C)[C@H]2CCCc3ccccc32)o1 ZINC000007583101 569283368 /nfs/dbraw/zinc/28/33/68/569283368.db2.gz RJPFLASGSBDRLI-FQEVSTJZSA-N 1 1 400.482 5.209 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@@H]1CCCc2ccccc21 ZINC000007583139 569283374 /nfs/dbraw/zinc/28/33/74/569283374.db2.gz MPKOXKGPBIYWGW-SIKLNZKXSA-N 1 1 419.594 5.012 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@@H]1CCCc2ccccc21 ZINC000007583144 569283329 /nfs/dbraw/zinc/28/33/29/569283329.db2.gz MPKOXKGPBIYWGW-DENIHFKCSA-N 1 1 419.594 5.012 50 0 HKAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007643058 569298330 /nfs/dbraw/zinc/29/83/30/569298330.db2.gz VDVSLSBTHFSUBD-UHFFFAOYSA-N 1 1 424.548 5.373 50 0 HKAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007643058 569298331 /nfs/dbraw/zinc/29/83/31/569298331.db2.gz VDVSLSBTHFSUBD-UHFFFAOYSA-N 1 1 424.548 5.373 50 0 HKAAMO COc1cccc(C[NH2+][C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 ZINC000007654123 569299149 /nfs/dbraw/zinc/29/91/49/569299149.db2.gz LDFPBPCQTSCQHI-NRFANRHFSA-N 1 1 414.427 5.184 50 0 HKAAMO COc1cccc(C[NH2+][C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 ZINC000007654126 569299155 /nfs/dbraw/zinc/29/91/55/569299155.db2.gz LDFPBPCQTSCQHI-OAQYLSRUSA-N 1 1 414.427 5.184 50 0 HKAAMO COc1ccc(C[N@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C2CC2)cc1 ZINC000007661795 569299731 /nfs/dbraw/zinc/29/97/31/569299731.db2.gz IMHUISVWYWPGNF-UHFFFAOYSA-N 1 1 402.494 5.091 50 0 HKAAMO COc1ccc(C[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C2CC2)cc1 ZINC000007661795 569299732 /nfs/dbraw/zinc/29/97/32/569299732.db2.gz IMHUISVWYWPGNF-UHFFFAOYSA-N 1 1 402.494 5.091 50 0 HKAAMO C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[N@H+](C)Cc1cccs1 ZINC000007664193 569299707 /nfs/dbraw/zinc/29/97/07/569299707.db2.gz LJEKPYDLOYDGHE-INIZCTEOSA-N 1 1 421.591 5.408 50 0 HKAAMO C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[N@@H+](C)Cc1cccs1 ZINC000007664193 569299708 /nfs/dbraw/zinc/29/97/08/569299708.db2.gz LJEKPYDLOYDGHE-INIZCTEOSA-N 1 1 421.591 5.408 50 0 HKAAMO C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[N@H+](C)Cc1cccs1 ZINC000007664194 569299741 /nfs/dbraw/zinc/29/97/41/569299741.db2.gz LJEKPYDLOYDGHE-MRXNPFEDSA-N 1 1 421.591 5.408 50 0 HKAAMO C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)[N@@H+](C)Cc1cccs1 ZINC000007664194 569299742 /nfs/dbraw/zinc/29/97/42/569299742.db2.gz LJEKPYDLOYDGHE-MRXNPFEDSA-N 1 1 421.591 5.408 50 0 HKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C)[C@@H]4CCCc5ccccc54)nc(=O)c23)s1 ZINC000007674339 569300204 /nfs/dbraw/zinc/30/02/04/569300204.db2.gz KDJVQNSWYYRGAB-GOSISDBHSA-N 1 1 421.591 5.531 50 0 HKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](C)[C@@H]4CCCc5ccccc54)nc(=O)c23)s1 ZINC000007674339 569300205 /nfs/dbraw/zinc/30/02/05/569300205.db2.gz KDJVQNSWYYRGAB-GOSISDBHSA-N 1 1 421.591 5.531 50 0 HKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C)[C@H]4CCCc5ccccc54)nc(=O)c23)s1 ZINC000007674340 569300189 /nfs/dbraw/zinc/30/01/89/569300189.db2.gz KDJVQNSWYYRGAB-SFHVURJKSA-N 1 1 421.591 5.531 50 0 HKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](C)[C@H]4CCCc5ccccc54)nc(=O)c23)s1 ZINC000007674340 569300190 /nfs/dbraw/zinc/30/01/90/569300190.db2.gz KDJVQNSWYYRGAB-SFHVURJKSA-N 1 1 421.591 5.531 50 0 HKAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000007718399 569302110 /nfs/dbraw/zinc/30/21/10/569302110.db2.gz GPYAVSMVFYBCIC-HXUWFJFHSA-N 1 1 413.901 5.109 50 0 HKAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000007718399 569302113 /nfs/dbraw/zinc/30/21/13/569302113.db2.gz GPYAVSMVFYBCIC-HXUWFJFHSA-N 1 1 413.901 5.109 50 0 HKAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000007718402 569302041 /nfs/dbraw/zinc/30/20/41/569302041.db2.gz GPYAVSMVFYBCIC-FQEVSTJZSA-N 1 1 413.901 5.109 50 0 HKAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 ZINC000007718402 569302042 /nfs/dbraw/zinc/30/20/42/569302042.db2.gz GPYAVSMVFYBCIC-FQEVSTJZSA-N 1 1 413.901 5.109 50 0 HKAAMO O=c1nc(CNc2ccc([NH+]3CCCCC3)cc2)[nH]c2scc(-c3ccccc3)c21 ZINC000007738527 132325563 /nfs/dbraw/zinc/32/55/63/132325563.db2.gz HDDLAHRNTUNQOY-UHFFFAOYSA-N 1 1 416.550 5.254 50 0 HKAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c(OC)c1 ZINC000007740070 569305340 /nfs/dbraw/zinc/30/53/40/569305340.db2.gz XDHACBYXGFMUCW-HXUWFJFHSA-N 1 1 413.901 5.109 50 0 HKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c(OC)c1 ZINC000007740070 569305341 /nfs/dbraw/zinc/30/53/41/569305341.db2.gz XDHACBYXGFMUCW-HXUWFJFHSA-N 1 1 413.901 5.109 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c(OC)c1 ZINC000007740081 569305423 /nfs/dbraw/zinc/30/54/23/569305423.db2.gz XDHACBYXGFMUCW-FQEVSTJZSA-N 1 1 413.901 5.109 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c(OC)c1 ZINC000007740081 569305424 /nfs/dbraw/zinc/30/54/24/569305424.db2.gz XDHACBYXGFMUCW-FQEVSTJZSA-N 1 1 413.901 5.109 50 0 HKAAMO Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC(Cc4ccccc4)CC3)cs2)cc1 ZINC000007788090 569310491 /nfs/dbraw/zinc/31/04/91/569310491.db2.gz FOSXDHALCSVNIR-UHFFFAOYSA-N 1 1 419.594 5.087 50 0 HKAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3c(Cl)ccc(C)c3Cl)ccc2c1 ZINC000007926549 569327339 /nfs/dbraw/zinc/32/73/39/569327339.db2.gz USUCWDYBPRRSNA-UHFFFAOYSA-N 1 1 417.336 5.534 50 0 HKAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3c(Cl)ccc(C)c3Cl)ccc2c1 ZINC000007926549 569327341 /nfs/dbraw/zinc/32/73/41/569327341.db2.gz USUCWDYBPRRSNA-UHFFFAOYSA-N 1 1 417.336 5.534 50 0 HKAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3cccc(Cl)c3Cl)ccc2c1 ZINC000007926611 569327375 /nfs/dbraw/zinc/32/73/75/569327375.db2.gz BHUBNTGBPPMMHV-UHFFFAOYSA-N 1 1 403.309 5.226 50 0 HKAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3cccc(Cl)c3Cl)ccc2c1 ZINC000007926611 569327376 /nfs/dbraw/zinc/32/73/76/569327376.db2.gz BHUBNTGBPPMMHV-UHFFFAOYSA-N 1 1 403.309 5.226 50 0 HKAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1 ZINC000007926702 569327234 /nfs/dbraw/zinc/32/72/34/569327234.db2.gz QDMAPLQPQOBTTI-AWEZNQCLSA-N 1 1 400.881 5.100 50 0 HKAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1 ZINC000007926703 569327253 /nfs/dbraw/zinc/32/72/53/569327253.db2.gz QDMAPLQPQOBTTI-CQSZACIVSA-N 1 1 400.881 5.100 50 0 HKAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000007977095 568963077 /nfs/dbraw/zinc/96/30/77/568963077.db2.gz GKPOIGYCTXXMGV-UHFFFAOYSA-N 1 1 417.500 5.103 50 0 HKAAMO CC(=O)Nc1ccc(Oc2nc(C[NH+]3CCC(C)CC3)nc3sc(C)c(C)c32)cc1 ZINC000007982505 568963773 /nfs/dbraw/zinc/96/37/73/568963773.db2.gz VBQGYYZWACKPEY-UHFFFAOYSA-N 1 1 424.570 5.291 50 0 HKAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 ZINC000007984684 568964179 /nfs/dbraw/zinc/96/41/79/568964179.db2.gz QVQFGCKLZIEKPG-UHFFFAOYSA-N 1 1 403.929 5.294 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000008038395 568970024 /nfs/dbraw/zinc/97/00/24/568970024.db2.gz PVBXKZOIFLATAT-UQBPGWFLSA-N 1 1 416.521 5.105 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000008038399 568970146 /nfs/dbraw/zinc/97/01/46/568970146.db2.gz PVBXKZOIFLATAT-DFBJGRDBSA-N 1 1 416.521 5.105 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000008038403 568970059 /nfs/dbraw/zinc/97/00/59/568970059.db2.gz PVBXKZOIFLATAT-KBMIEXCESA-N 1 1 416.521 5.105 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)c1 ZINC000008038407 568970189 /nfs/dbraw/zinc/97/01/89/568970189.db2.gz PVBXKZOIFLATAT-CLOONOSVSA-N 1 1 416.521 5.105 50 0 HKAAMO C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008136283 132327788 /nfs/dbraw/zinc/32/77/88/132327788.db2.gz JQXGLJYYURMVHM-NRFANRHFSA-N 1 1 413.565 6.029 50 0 HKAAMO C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000008136291 132327807 /nfs/dbraw/zinc/32/78/07/132327807.db2.gz JQXGLJYYURMVHM-OAQYLSRUSA-N 1 1 413.565 6.029 50 0 HKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Oc2ccc3c(C)cc(=O)oc3c2)n1 ZINC000008148906 568977305 /nfs/dbraw/zinc/97/73/05/568977305.db2.gz VRTLSQZIPZRJSB-UHFFFAOYSA-N 1 1 423.538 5.357 50 0 HKAAMO Clc1ccc(-c2nnc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)o2)cc1 ZINC000008201396 568982455 /nfs/dbraw/zinc/98/24/55/568982455.db2.gz FLCXAYSUNGVHII-UHFFFAOYSA-N 1 1 410.930 5.379 50 0 HKAAMO C[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccccc1Cl ZINC000008201930 568982496 /nfs/dbraw/zinc/98/24/96/568982496.db2.gz ZYSOZDLIQCQGIO-HNNXBMFYSA-N 1 1 413.974 5.007 50 0 HKAAMO C[C@@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccccc1Cl ZINC000008201938 568982533 /nfs/dbraw/zinc/98/25/33/568982533.db2.gz ZYSOZDLIQCQGIO-OAHLLOKOSA-N 1 1 413.974 5.007 50 0 HKAAMO CCc1cccc(CC)c1C(OC[C@@H]1CCC[N@@H+](C)C1)c1c(CC)cccc1CC ZINC000008202344 568982521 /nfs/dbraw/zinc/98/25/21/568982521.db2.gz YNNVNKCMTUUTBY-OAQYLSRUSA-N 1 1 407.642 6.384 50 0 HKAAMO CCc1cccc(CC)c1C(OC[C@H]1CCC[N@@H+](C)C1)c1c(CC)cccc1CC ZINC000008202349 568982431 /nfs/dbraw/zinc/98/24/31/568982431.db2.gz YNNVNKCMTUUTBY-NRFANRHFSA-N 1 1 407.642 6.384 50 0 HKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310370 568988818 /nfs/dbraw/zinc/98/88/18/568988818.db2.gz STYHILLVVSISOK-OAQYLSRUSA-N 1 1 408.542 5.055 50 0 HKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000008310370 568988820 /nfs/dbraw/zinc/98/88/20/568988820.db2.gz STYHILLVVSISOK-OAQYLSRUSA-N 1 1 408.542 5.055 50 0 HKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310371 568988762 /nfs/dbraw/zinc/98/87/62/568988762.db2.gz STYHILLVVSISOK-NRFANRHFSA-N 1 1 408.542 5.055 50 0 HKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000008310371 568988764 /nfs/dbraw/zinc/98/87/64/568988764.db2.gz STYHILLVVSISOK-NRFANRHFSA-N 1 1 408.542 5.055 50 0 HKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)cc1 ZINC000008323766 568990410 /nfs/dbraw/zinc/99/04/10/568990410.db2.gz SOVPDMKADQSKMQ-UHFFFAOYSA-N 1 1 411.896 5.748 50 0 HKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCc2cccnc2)c1 ZINC000008323767 568497835 /nfs/dbraw/zinc/49/78/35/568497835.db2.gz PXTIGRZUMJSNLI-UHFFFAOYSA-N 1 1 411.896 5.748 50 0 HKAAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000008325467 568991405 /nfs/dbraw/zinc/99/14/05/568991405.db2.gz WRASFAULQSCTPY-OAQYLSRUSA-N 1 1 419.550 5.084 50 0 HKAAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000008325467 568991407 /nfs/dbraw/zinc/99/14/07/568991407.db2.gz WRASFAULQSCTPY-OAQYLSRUSA-N 1 1 419.550 5.084 50 0 HKAAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008325469 568991411 /nfs/dbraw/zinc/99/14/11/568991411.db2.gz WRASFAULQSCTPY-NRFANRHFSA-N 1 1 419.550 5.084 50 0 HKAAMO Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000008325469 568991413 /nfs/dbraw/zinc/99/14/13/568991413.db2.gz WRASFAULQSCTPY-NRFANRHFSA-N 1 1 419.550 5.084 50 0 HKAAMO CCOc1ccc2ccccc2c1C[NH2+][C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000008345238 568994520 /nfs/dbraw/zinc/99/45/20/568994520.db2.gz VMTVOQFIRXSBIE-QFIPXVFZSA-N 1 1 405.567 5.699 50 0 HKAAMO CCOc1ccc2ccccc2c1C[NH2+][C@H](CCSC)c1nc2ccccc2[nH]1 ZINC000008345239 568994511 /nfs/dbraw/zinc/99/45/11/568994511.db2.gz VMTVOQFIRXSBIE-JOCHJYFZSA-N 1 1 405.567 5.699 50 0 HKAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000008346299 568994943 /nfs/dbraw/zinc/99/49/43/568994943.db2.gz HEUNKTURUOWRKV-INIZCTEOSA-N 1 1 419.308 5.413 50 0 HKAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000008346300 568994849 /nfs/dbraw/zinc/99/48/49/568994849.db2.gz HEUNKTURUOWRKV-MRXNPFEDSA-N 1 1 419.308 5.413 50 0 HKAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008367139 568995522 /nfs/dbraw/zinc/99/55/22/568995522.db2.gz JOBCUNWJZCPZBA-QFIPXVFZSA-N 1 1 423.516 5.013 50 0 HKAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 ZINC000008367140 568995481 /nfs/dbraw/zinc/99/54/81/568995481.db2.gz JOBCUNWJZCPZBA-JOCHJYFZSA-N 1 1 423.516 5.013 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008395422 568999282 /nfs/dbraw/zinc/99/92/82/568999282.db2.gz MTGYJMJNQSVEEW-HSZRJFAPSA-N 1 1 414.505 5.047 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000008395423 568999373 /nfs/dbraw/zinc/99/93/73/568999373.db2.gz MTGYJMJNQSVEEW-QHCPKHFHSA-N 1 1 414.505 5.047 50 0 HKAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C)Cc3ccc(SC)cc3)cc2)cc1 ZINC000008428038 569002321 /nfs/dbraw/zinc/00/23/21/569002321.db2.gz FCYNIQNSYQTUEP-UHFFFAOYSA-N 1 1 406.551 5.301 50 0 HKAAMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000008428471 569002444 /nfs/dbraw/zinc/00/24/44/569002444.db2.gz YEZCMNLBYNIZBA-KRWDZBQOSA-N 1 1 414.571 5.022 50 0 HKAAMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000008428471 569002446 /nfs/dbraw/zinc/00/24/46/569002446.db2.gz YEZCMNLBYNIZBA-KRWDZBQOSA-N 1 1 414.571 5.022 50 0 HKAAMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000008428472 569002375 /nfs/dbraw/zinc/00/23/75/569002375.db2.gz YEZCMNLBYNIZBA-QGZVFWFLSA-N 1 1 414.571 5.022 50 0 HKAAMO CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000008428472 569002377 /nfs/dbraw/zinc/00/23/77/569002377.db2.gz YEZCMNLBYNIZBA-QGZVFWFLSA-N 1 1 414.571 5.022 50 0 HKAAMO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000008429294 569002639 /nfs/dbraw/zinc/00/26/39/569002639.db2.gz XDENPLJFWFTHMA-AWEZNQCLSA-N 1 1 420.962 5.058 50 0 HKAAMO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000008429294 569002640 /nfs/dbraw/zinc/00/26/40/569002640.db2.gz XDENPLJFWFTHMA-AWEZNQCLSA-N 1 1 420.962 5.058 50 0 HKAAMO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@@H+]1CCCC[C@H]1C ZINC000008429295 569002612 /nfs/dbraw/zinc/00/26/12/569002612.db2.gz XDENPLJFWFTHMA-CQSZACIVSA-N 1 1 420.962 5.058 50 0 HKAAMO CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000008429295 569002613 /nfs/dbraw/zinc/00/26/13/569002613.db2.gz XDENPLJFWFTHMA-CQSZACIVSA-N 1 1 420.962 5.058 50 0 HKAAMO CC[N@@H+](Cc1ccccc1)Cc1c(C)[nH]c2ccc(OCc3ccccc3)cc2c1=O ZINC000008573235 571082318 /nfs/dbraw/zinc/08/23/18/571082318.db2.gz XFOQRACRUBXFDP-UHFFFAOYSA-N 1 1 412.533 5.850 50 0 HKAAMO C[N@@H+](CCCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)Cc1ccccc1 ZINC000008599187 571089216 /nfs/dbraw/zinc/08/92/16/571089216.db2.gz QOEZDQKGQQRBCZ-UHFFFAOYSA-N 1 1 423.969 5.355 50 0 HKAAMO FC(F)(F)c1cc(/C=C/c2noc(C[NH+]3CCCCCC3)n2)cc(C(F)(F)F)c1 ZINC000008616502 557797097 /nfs/dbraw/zinc/79/70/97/557797097.db2.gz RVLPZGKUPKKKHQ-AATRIKPKSA-N 1 1 419.369 5.654 50 0 HKAAMO O=C(Nc1ccccc1C(F)(F)F)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000008619115 571096016 /nfs/dbraw/zinc/09/60/16/571096016.db2.gz XOSBIAUWGGPPBW-UHFFFAOYSA-N 1 1 417.475 5.008 50 0 HKAAMO CCCOC(=O)c1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008717204 557801905 /nfs/dbraw/zinc/80/19/05/557801905.db2.gz DDZVLVSXWAYALD-BVZFJXPGSA-N 1 1 410.558 5.216 50 0 HKAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000008719367 571106409 /nfs/dbraw/zinc/10/64/09/571106409.db2.gz NXERYDQSZQBZDA-DEOSSOPVSA-N 1 1 416.521 5.293 50 0 HKAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000008719368 571106437 /nfs/dbraw/zinc/10/64/37/571106437.db2.gz NXERYDQSZQBZDA-XMMPIXPASA-N 1 1 416.521 5.293 50 0 HKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Oc2ccc(-c3noc(C)n3)cc2)n1 ZINC000008726954 571108472 /nfs/dbraw/zinc/10/84/72/571108472.db2.gz NXTNHNNVXOHAEP-UHFFFAOYSA-N 1 1 423.542 5.301 50 0 HKAAMO c1ccc(Oc2cccc(OCCOCC[N@H+]3CCCC[C@@H]3c3cccnc3)c2)cc1 ZINC000008744559 571111004 /nfs/dbraw/zinc/11/10/04/571111004.db2.gz YSGJOMYLZFTKJP-AREMUKBSSA-N 1 1 418.537 5.497 50 0 biogenic HKAAMO c1ccc(Oc2cccc(OCCOCC[N@H+]3CCCC[C@H]3c3cccnc3)c2)cc1 ZINC000008744560 571111027 /nfs/dbraw/zinc/11/10/27/571111027.db2.gz YSGJOMYLZFTKJP-SANMLTNESA-N 1 1 418.537 5.497 50 0 biogenic HKAAMO Cc1cc(C)c(NC(=O)C[N@H+](C)CCOC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000008852784 571127530 /nfs/dbraw/zinc/12/75/30/571127530.db2.gz BJMGMLGYJRVZPX-UHFFFAOYSA-N 1 1 416.565 5.288 50 0 HKAAMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCOC(c2ccccc2)c2ccccc2)c(C)c1 ZINC000008852784 571127533 /nfs/dbraw/zinc/12/75/33/571127533.db2.gz BJMGMLGYJRVZPX-UHFFFAOYSA-N 1 1 416.565 5.288 50 0 HKAAMO COc1ccc(-c2nnc([C@H](C)[N@@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)o2)cc1 ZINC000008920732 571155160 /nfs/dbraw/zinc/15/51/60/571155160.db2.gz UMCNQFZUFPNORF-HTAPYJJXSA-N 1 1 407.514 5.432 50 0 HKAAMO COc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCCCC[C@@H]3c3ccc(OC)cc3)o2)cc1 ZINC000008920739 571155216 /nfs/dbraw/zinc/15/52/16/571155216.db2.gz UMCNQFZUFPNORF-VGOFRKELSA-N 1 1 407.514 5.432 50 0 HKAAMO Cc1[nH+]c2ccc(Br)cc2c(Nc2ccccc2)c1CC=C(Cl)Cl ZINC000008934224 571163462 /nfs/dbraw/zinc/16/34/62/571163462.db2.gz ILKQPEGYGJYPAK-UHFFFAOYSA-N 1 1 422.153 6.911 50 0 HKAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000009051983 571216468 /nfs/dbraw/zinc/21/64/68/571216468.db2.gz RAHRZHHUSUJOLR-WMZOPIPTSA-N 1 1 419.550 5.099 50 0 HKAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000009051983 571216469 /nfs/dbraw/zinc/21/64/69/571216469.db2.gz RAHRZHHUSUJOLR-WMZOPIPTSA-N 1 1 419.550 5.099 50 0 HKAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000009051988 571216488 /nfs/dbraw/zinc/21/64/88/571216488.db2.gz RAHRZHHUSUJOLR-AEFFLSMTSA-N 1 1 419.550 5.099 50 0 HKAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000009051988 571216489 /nfs/dbraw/zinc/21/64/89/571216489.db2.gz RAHRZHHUSUJOLR-AEFFLSMTSA-N 1 1 419.550 5.099 50 0 HKAAMO C/C=C/c1ccc(OCCn2c(C[NH+]3CCCCC3)nc3ccccc32)c(OC)c1 ZINC000009184789 571234727 /nfs/dbraw/zinc/23/47/27/571234727.db2.gz ZUKDYOCSQTTYKQ-YCRREMRBSA-N 1 1 405.542 5.143 50 0 HKAAMO CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000009250758 571242205 /nfs/dbraw/zinc/24/22/05/571242205.db2.gz YEZDTGAJOKZRGG-QHCPKHFHSA-N 1 1 414.977 5.186 50 0 HKAAMO CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)cc1 ZINC000009250759 571242258 /nfs/dbraw/zinc/24/22/58/571242258.db2.gz YEZDTGAJOKZRGG-HSZRJFAPSA-N 1 1 414.977 5.186 50 0 HKAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)c(C)c2c1 ZINC000009250760 571242161 /nfs/dbraw/zinc/24/21/61/571242161.db2.gz LNUXNPXXYAIFNQ-QFIPXVFZSA-N 1 1 424.972 5.914 50 0 HKAAMO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)c(C)c2c1 ZINC000009250761 571242119 /nfs/dbraw/zinc/24/21/19/571242119.db2.gz LNUXNPXXYAIFNQ-JOCHJYFZSA-N 1 1 424.972 5.914 50 0 HKAAMO Cc1c2cc(C)ccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000009250762 571242194 /nfs/dbraw/zinc/24/21/94/571242194.db2.gz SJQQBVQVOMDFHL-NRFANRHFSA-N 1 1 410.945 5.660 50 0 HKAAMO Cc1c2cc(C)ccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000009250763 571242248 /nfs/dbraw/zinc/24/22/48/571242248.db2.gz SJQQBVQVOMDFHL-OAQYLSRUSA-N 1 1 410.945 5.660 50 0 HKAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)Cc3nc4ccccc4s3)c2c1C ZINC000009256031 571243597 /nfs/dbraw/zinc/24/35/97/571243597.db2.gz YLCRBLLYLBGPJU-UHFFFAOYSA-N 1 1 423.611 5.150 50 0 HKAAMO CCc1sc(-c2nnc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)o2)cc1C ZINC000009448892 571259846 /nfs/dbraw/zinc/25/98/46/571259846.db2.gz KRBJCZNUAQAKPJ-UHFFFAOYSA-N 1 1 424.595 5.658 50 0 HKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000009469895 571261489 /nfs/dbraw/zinc/26/14/89/571261489.db2.gz KKERDUGSXUCKJO-NRFANRHFSA-N 1 1 413.565 5.413 50 0 HKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000009469895 571261491 /nfs/dbraw/zinc/26/14/91/571261491.db2.gz KKERDUGSXUCKJO-NRFANRHFSA-N 1 1 413.565 5.413 50 0 HKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000009469897 571261514 /nfs/dbraw/zinc/26/15/14/571261514.db2.gz KKERDUGSXUCKJO-OAQYLSRUSA-N 1 1 413.565 5.413 50 0 HKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000009469897 571261516 /nfs/dbraw/zinc/26/15/16/571261516.db2.gz KKERDUGSXUCKJO-OAQYLSRUSA-N 1 1 413.565 5.413 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@@H]2c1ccccc1 ZINC000009527702 571266326 /nfs/dbraw/zinc/26/63/26/571266326.db2.gz ZZHLFZHQQBIFEZ-RUZDIDTESA-N 1 1 418.606 5.822 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@@H]2c1ccccc1 ZINC000009527702 571266327 /nfs/dbraw/zinc/26/63/27/571266327.db2.gz ZZHLFZHQQBIFEZ-RUZDIDTESA-N 1 1 418.606 5.822 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@H]2c1ccccc1 ZINC000009527703 571266274 /nfs/dbraw/zinc/26/62/74/571266274.db2.gz ZZHLFZHQQBIFEZ-VWLOTQADSA-N 1 1 418.606 5.822 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@H]2c1ccccc1 ZINC000009527703 571266277 /nfs/dbraw/zinc/26/62/77/571266277.db2.gz ZZHLFZHQQBIFEZ-VWLOTQADSA-N 1 1 418.606 5.822 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCCC1=CCCCC1)[C@@H]2c1ccccc1 ZINC000009527704 571266223 /nfs/dbraw/zinc/26/62/23/571266223.db2.gz KDFGBMSQPFATFH-RUZDIDTESA-N 1 1 422.638 5.573 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)NCCC1=CCCCC1)[C@H]2c1ccccc1 ZINC000009527705 571266280 /nfs/dbraw/zinc/26/62/80/571266280.db2.gz KDFGBMSQPFATFH-VWLOTQADSA-N 1 1 422.638 5.573 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cccc(F)c1)[C@@H]2c1ccccc1 ZINC000009527706 571266174 /nfs/dbraw/zinc/26/61/74/571266174.db2.gz KRIPTRAQSUXPDY-HSZRJFAPSA-N 1 1 408.542 5.344 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cccc(F)c1)[C@@H]2c1ccccc1 ZINC000009527706 571266176 /nfs/dbraw/zinc/26/61/76/571266176.db2.gz KRIPTRAQSUXPDY-HSZRJFAPSA-N 1 1 408.542 5.344 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cccc(F)c1)[C@H]2c1ccccc1 ZINC000009527707 571266318 /nfs/dbraw/zinc/26/63/18/571266318.db2.gz KRIPTRAQSUXPDY-QHCPKHFHSA-N 1 1 408.542 5.344 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cccc(F)c1)[C@H]2c1ccccc1 ZINC000009527707 571266320 /nfs/dbraw/zinc/26/63/20/571266320.db2.gz KRIPTRAQSUXPDY-QHCPKHFHSA-N 1 1 408.542 5.344 50 0 HKAAMO CC[N@@H+](CCNC(=O)c1cc2cc3cc(C)ccc3nc2s1)Cc1ccccc1 ZINC000009528748 571266348 /nfs/dbraw/zinc/26/63/48/571266348.db2.gz YZOGIHYVSXXCKC-UHFFFAOYSA-N 1 1 403.551 5.010 50 0 HKAAMO CC(C)[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2[nH]1 ZINC000009546057 571267601 /nfs/dbraw/zinc/26/76/01/571267601.db2.gz HDUVZRMGUIWTSN-SFHVURJKSA-N 1 1 424.854 5.161 50 0 HKAAMO CC(C)[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2[nH]1 ZINC000009546058 571267704 /nfs/dbraw/zinc/26/77/04/571267704.db2.gz HDUVZRMGUIWTSN-GOSISDBHSA-N 1 1 424.854 5.161 50 0 HKAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccccc1F ZINC000009548065 557845506 /nfs/dbraw/zinc/84/55/06/557845506.db2.gz QNLIARQRQVAFLH-UHFFFAOYSA-N 1 1 420.278 5.059 50 0 HKAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1ccc(F)cc1 ZINC000009577372 557845995 /nfs/dbraw/zinc/84/59/95/557845995.db2.gz UBYPKHGLPMPPBF-UHFFFAOYSA-N 1 1 420.278 5.059 50 0 HKAAMO C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc2ccccc2c1 ZINC000009579290 571270259 /nfs/dbraw/zinc/27/02/59/571270259.db2.gz QKYIKNIFWDIBJV-UHFFFAOYSA-N 1 1 406.835 5.583 50 0 HKAAMO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc2ccccc2c1 ZINC000009579290 571270260 /nfs/dbraw/zinc/27/02/60/571270260.db2.gz QKYIKNIFWDIBJV-UHFFFAOYSA-N 1 1 406.835 5.583 50 0 HKAAMO CC1CC[NH+](c2ccc(NCc3nc(=O)c4c(-c5ccco5)csc4[nH]3)cc2)CC1 ZINC000009647911 132342134 /nfs/dbraw/zinc/34/21/34/132342134.db2.gz WZNFARSJJWKWPG-UHFFFAOYSA-N 1 1 420.538 5.093 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000010036653 569252971 /nfs/dbraw/zinc/25/29/71/569252971.db2.gz SKDQRHKFDGVTDY-SFHVURJKSA-N 1 1 403.404 5.101 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000010036653 569252972 /nfs/dbraw/zinc/25/29/72/569252972.db2.gz SKDQRHKFDGVTDY-SFHVURJKSA-N 1 1 403.404 5.101 50 0 HKAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000010036654 569253012 /nfs/dbraw/zinc/25/30/12/569253012.db2.gz SKDQRHKFDGVTDY-GOSISDBHSA-N 1 1 403.404 5.101 50 0 HKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000010036654 569253013 /nfs/dbraw/zinc/25/30/13/569253013.db2.gz SKDQRHKFDGVTDY-GOSISDBHSA-N 1 1 403.404 5.101 50 0 HKAAMO Brc1ccc(C[NH+]2CCC(Nc3ccc(Br)cc3)CC2)cc1 ZINC000010060500 569253151 /nfs/dbraw/zinc/25/31/51/569253151.db2.gz PMXRNURTGGITQX-UHFFFAOYSA-N 1 1 424.180 5.288 50 0 HKAAMO COc1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1)oc1ccccc12 ZINC000010339717 571301049 /nfs/dbraw/zinc/30/10/49/571301049.db2.gz LHMAWPPRISNHPQ-OAQYLSRUSA-N 1 1 400.478 5.370 50 0 HKAAMO COc1cc2c(cc1NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1)oc1ccccc12 ZINC000010339717 571301050 /nfs/dbraw/zinc/30/10/50/571301050.db2.gz LHMAWPPRISNHPQ-OAQYLSRUSA-N 1 1 400.478 5.370 50 0 HKAAMO COc1cc2c(cc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1)oc1ccccc12 ZINC000010339718 571301086 /nfs/dbraw/zinc/30/10/86/571301086.db2.gz LHMAWPPRISNHPQ-NRFANRHFSA-N 1 1 400.478 5.370 50 0 HKAAMO COc1cc2c(cc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1)oc1ccccc12 ZINC000010339718 571301087 /nfs/dbraw/zinc/30/10/87/571301087.db2.gz LHMAWPPRISNHPQ-NRFANRHFSA-N 1 1 400.478 5.370 50 0 HKAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 ZINC000011612284 558264581 /nfs/dbraw/zinc/26/45/81/558264581.db2.gz CWVBPMKCELIABZ-RVKKMQEKSA-N 1 1 405.369 5.440 50 0 HKAAMO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000011661061 558265049 /nfs/dbraw/zinc/26/50/49/558265049.db2.gz HPJDEAGIOCPMQE-NRFANRHFSA-N 1 1 401.510 5.033 50 0 HKAAMO Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2cccnc2)C1 ZINC000011661062 558265070 /nfs/dbraw/zinc/26/50/70/558265070.db2.gz HPJDEAGIOCPMQE-OAQYLSRUSA-N 1 1 401.510 5.033 50 0 HKAAMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000011662497 558266160 /nfs/dbraw/zinc/26/61/60/558266160.db2.gz GSNUIJIEOAKZPT-JOCHJYFZSA-N 1 1 410.489 5.534 50 0 HKAAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000011662497 558266162 /nfs/dbraw/zinc/26/61/62/558266162.db2.gz GSNUIJIEOAKZPT-JOCHJYFZSA-N 1 1 410.489 5.534 50 0 HKAAMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000011662498 558266111 /nfs/dbraw/zinc/26/61/11/558266111.db2.gz GSNUIJIEOAKZPT-QFIPXVFZSA-N 1 1 410.489 5.534 50 0 HKAAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccc(F)c(OC)c3)oc2C)c1 ZINC000011662498 558266113 /nfs/dbraw/zinc/26/61/13/558266113.db2.gz GSNUIJIEOAKZPT-QFIPXVFZSA-N 1 1 410.489 5.534 50 0 HKAAMO CCCCc1nc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)c[nH]1 ZINC000011663530 558267326 /nfs/dbraw/zinc/26/73/26/558267326.db2.gz RWNDDFRTUAGBNA-UHFFFAOYSA-N 1 1 402.970 5.037 50 0 HKAAMO Cc1cccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011665460 558268920 /nfs/dbraw/zinc/26/89/20/558268920.db2.gz JXBTUQIBRGBJNN-HSZRJFAPSA-N 1 1 405.586 5.077 50 0 HKAAMO Cc1cccc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011665461 558268899 /nfs/dbraw/zinc/26/88/99/558268899.db2.gz JXBTUQIBRGBJNN-QHCPKHFHSA-N 1 1 405.586 5.077 50 0 HKAAMO COc1cccc(OC[C@H]2CCC[N@@H+](Cc3nc(-c4cccc(F)c4)oc3C)C2)c1 ZINC000011707624 558270928 /nfs/dbraw/zinc/27/09/28/558270928.db2.gz LCYXAZKLEPJFOR-SFHVURJKSA-N 1 1 410.489 5.089 50 0 HKAAMO COc1cccc(OC[C@@H]2CCC[N@@H+](Cc3nc(-c4cccc(F)c4)oc3C)C2)c1 ZINC000011707638 558270801 /nfs/dbraw/zinc/27/08/01/558270801.db2.gz LCYXAZKLEPJFOR-GOSISDBHSA-N 1 1 410.489 5.089 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000011716667 558271677 /nfs/dbraw/zinc/27/16/77/558271677.db2.gz SACPUGFUCFFRTQ-HSZRJFAPSA-N 1 1 414.549 5.255 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000011716676 558271723 /nfs/dbraw/zinc/27/17/23/558271723.db2.gz SACPUGFUCFFRTQ-QHCPKHFHSA-N 1 1 414.549 5.255 50 0 HKAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000011719602 558272083 /nfs/dbraw/zinc/27/20/83/558272083.db2.gz XZFPNGCMNKBQOV-IBGZPJMESA-N 1 1 407.533 5.555 50 0 HKAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000011719612 558272065 /nfs/dbraw/zinc/27/20/65/558272065.db2.gz XZFPNGCMNKBQOV-LJQANCHMSA-N 1 1 407.533 5.555 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000011765525 558273902 /nfs/dbraw/zinc/27/39/02/558273902.db2.gz HLPBEDGJJBVCHH-MRXNPFEDSA-N 1 1 406.979 5.349 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C)s2)C1 ZINC000011765533 558273914 /nfs/dbraw/zinc/27/39/14/558273914.db2.gz HLPBEDGJJBVCHH-INIZCTEOSA-N 1 1 406.979 5.349 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000011769099 558274097 /nfs/dbraw/zinc/27/40/97/558274097.db2.gz ZRBVKUMGUJJNLJ-FQEVSTJZSA-N 1 1 420.578 5.583 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000011769107 558274067 /nfs/dbraw/zinc/27/40/67/558274067.db2.gz ZRBVKUMGUJJNLJ-HXUWFJFHSA-N 1 1 420.578 5.583 50 0 HKAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@H](C)c2csc(C)n2)c(F)c1 ZINC000011771574 558274541 /nfs/dbraw/zinc/27/45/41/558274541.db2.gz AFOJIGABYCKKQH-OAHLLOKOSA-N 1 1 422.529 5.303 50 0 HKAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H](C)c2csc(C)n2)c(F)c1 ZINC000011771580 558274531 /nfs/dbraw/zinc/27/45/31/558274531.db2.gz AFOJIGABYCKKQH-HNNXBMFYSA-N 1 1 422.529 5.303 50 0 HKAAMO Cc1ccc2cc(C[N@@H+]3CC=C(c4ccccc4)CC3)c(=O)n(Cc3ccccn3)c2c1 ZINC000011790503 558277496 /nfs/dbraw/zinc/27/74/96/558277496.db2.gz PIMKUAPWKDVWMR-UHFFFAOYSA-N 1 1 421.544 5.043 50 0 HKAAMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccccc4C)CC3)c(C)o2)c(OC)c1 ZINC000011816070 558279522 /nfs/dbraw/zinc/27/95/22/558279522.db2.gz OPXODBDAPBAOEK-UHFFFAOYSA-N 1 1 422.525 5.019 50 0 HKAAMO COc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011817439 558280650 /nfs/dbraw/zinc/28/06/50/558280650.db2.gz VNCNGEVPYPBCNE-QHCPKHFHSA-N 1 1 407.602 5.137 50 0 HKAAMO COc1ccccc1CN(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000011817440 558280559 /nfs/dbraw/zinc/28/05/59/558280559.db2.gz VNCNGEVPYPBCNE-HSZRJFAPSA-N 1 1 407.602 5.137 50 0 HKAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1)C1CC1 ZINC000011817722 558280941 /nfs/dbraw/zinc/28/09/41/558280941.db2.gz LWRDBUKQXYVBDA-UHFFFAOYSA-N 1 1 411.553 5.259 50 0 HKAAMO Cc1ccc(-n2cc(C[NH2+]Cc3cn4ccsc4n3)c(-c3cccc(C)c3)n2)cc1 ZINC000011818337 558281514 /nfs/dbraw/zinc/28/15/14/558281514.db2.gz RBPXTMLXZKMCCL-UHFFFAOYSA-N 1 1 413.550 5.155 50 0 HKAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000011820772 558284278 /nfs/dbraw/zinc/28/42/78/558284278.db2.gz BSAQGOUITYXYDT-OAQYLSRUSA-N 1 1 403.501 5.047 50 0 HKAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000011820773 558284237 /nfs/dbraw/zinc/28/42/37/558284237.db2.gz BSAQGOUITYXYDT-NRFANRHFSA-N 1 1 403.501 5.047 50 0 HKAAMO COc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011821780 558285169 /nfs/dbraw/zinc/28/51/69/558285169.db2.gz BUSGJHQEEWNPMG-DEOSSOPVSA-N 1 1 407.602 5.137 50 0 HKAAMO COc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000011821781 558285047 /nfs/dbraw/zinc/28/50/47/558285047.db2.gz BUSGJHQEEWNPMG-XMMPIXPASA-N 1 1 407.602 5.137 50 0 HKAAMO COc1cc(C[NH2+][C@@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(Cl)cc1O ZINC000011840224 558286435 /nfs/dbraw/zinc/28/64/35/558286435.db2.gz UCJXLNZNUJUUNM-HNNXBMFYSA-N 1 1 421.928 5.552 50 0 HKAAMO COc1cc(C[NH2+][C@H](C)c2cnn(-c3cccc4ccccc43)c2C)c(Cl)cc1O ZINC000011840225 558286373 /nfs/dbraw/zinc/28/63/73/558286373.db2.gz UCJXLNZNUJUUNM-OAHLLOKOSA-N 1 1 421.928 5.552 50 0 HKAAMO CCOc1ccccc1-c1nc(C[N@H+](C)Cc2ccc(OC)c3ncccc23)c(C)o1 ZINC000011840787 558286748 /nfs/dbraw/zinc/28/67/48/558286748.db2.gz QILWJSLMPKCZMN-UHFFFAOYSA-N 1 1 417.509 5.238 50 0 HKAAMO CCOc1ccccc1-c1nc(C[N@@H+](C)Cc2ccc(OC)c3ncccc23)c(C)o1 ZINC000011840787 558286749 /nfs/dbraw/zinc/28/67/49/558286749.db2.gz QILWJSLMPKCZMN-UHFFFAOYSA-N 1 1 417.509 5.238 50 0 HKAAMO c1ccc2c(c1)C=C(c1ccc3c(c1)C[N@H+](Cc1ccc4c(c1)OCO4)CCO3)CC2 ZINC000011841474 558287117 /nfs/dbraw/zinc/28/71/17/558287117.db2.gz GGIGUKRBWBZVAS-UHFFFAOYSA-N 1 1 411.501 5.297 50 0 HKAAMO c1ccc2c(c1)C=C(c1ccc3c(c1)C[N@@H+](Cc1ccc4c(c1)OCO4)CCO3)CC2 ZINC000011841474 558287120 /nfs/dbraw/zinc/28/71/20/558287120.db2.gz GGIGUKRBWBZVAS-UHFFFAOYSA-N 1 1 411.501 5.297 50 0 HKAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000011843798 558288498 /nfs/dbraw/zinc/28/84/98/558288498.db2.gz MBUOMMBMPPBSAH-HXUWFJFHSA-N 1 1 411.549 5.272 50 0 HKAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC000011843799 558288484 /nfs/dbraw/zinc/28/84/84/558288484.db2.gz MBUOMMBMPPBSAH-FQEVSTJZSA-N 1 1 411.549 5.272 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000011843854 558288885 /nfs/dbraw/zinc/28/88/85/558288885.db2.gz WLQKDTPCGQCODL-JOCHJYFZSA-N 1 1 400.522 5.213 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000011843855 558288760 /nfs/dbraw/zinc/28/87/60/558288760.db2.gz WLQKDTPCGQCODL-QFIPXVFZSA-N 1 1 400.522 5.213 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccco2)C1)Nc1ccccc1F ZINC000011873346 558291107 /nfs/dbraw/zinc/29/11/07/558291107.db2.gz GNMOGLDYEZGGKG-LJQANCHMSA-N 1 1 406.501 5.717 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccco2)C1)Nc1ccccc1F ZINC000011873347 558291266 /nfs/dbraw/zinc/29/12/66/558291266.db2.gz GNMOGLDYEZGGKG-IBGZPJMESA-N 1 1 406.501 5.717 50 0 HKAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011873394 558291137 /nfs/dbraw/zinc/29/11/37/558291137.db2.gz UENUVFGZWNCBSR-SFHVURJKSA-N 1 1 407.480 5.195 50 0 HKAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000011873395 558291152 /nfs/dbraw/zinc/29/11/52/558291152.db2.gz UENUVFGZWNCBSR-GOSISDBHSA-N 1 1 407.480 5.195 50 0 HKAAMO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000011874345 558291874 /nfs/dbraw/zinc/29/18/74/558291874.db2.gz HHPJYAYMWOJWSS-UHFFFAOYSA-N 1 1 400.881 5.486 50 0 HKAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2cn(C)nc2C)c(C)s1 ZINC000011874785 558292230 /nfs/dbraw/zinc/29/22/30/558292230.db2.gz LBNCIEAOOBDLDW-UHFFFAOYSA-N 1 1 423.561 5.031 50 0 HKAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)Cc2cn(C)nc2C)c(C)s1 ZINC000011874785 558292234 /nfs/dbraw/zinc/29/22/34/558292234.db2.gz LBNCIEAOOBDLDW-UHFFFAOYSA-N 1 1 423.561 5.031 50 0 HKAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](CCC(=O)Nc4ccccc4F)C3)c(C)c2c1 ZINC000011878237 558292375 /nfs/dbraw/zinc/29/23/75/558292375.db2.gz HKIUVCPWLWQNIX-SFHVURJKSA-N 1 1 423.532 5.255 50 0 HKAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)c(C)c2c1 ZINC000011878238 558292475 /nfs/dbraw/zinc/29/24/75/558292475.db2.gz HKIUVCPWLWQNIX-GOSISDBHSA-N 1 1 423.532 5.255 50 0 HKAAMO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011878765 558293259 /nfs/dbraw/zinc/29/32/59/558293259.db2.gz DGMZCTVMWCETAL-JOCHJYFZSA-N 1 1 423.516 5.517 50 0 HKAAMO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000011878766 558293387 /nfs/dbraw/zinc/29/33/87/558293387.db2.gz DGMZCTVMWCETAL-QFIPXVFZSA-N 1 1 423.516 5.517 50 0 HKAAMO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(Cl)cc3)oc2C)c2cccnc12 ZINC000011878794 558293355 /nfs/dbraw/zinc/29/33/55/558293355.db2.gz WIYVNANQHTWLCG-UHFFFAOYSA-N 1 1 407.901 5.492 50 0 HKAAMO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(Cl)cc3)oc2C)c2cccnc12 ZINC000011878794 558293358 /nfs/dbraw/zinc/29/33/58/558293358.db2.gz WIYVNANQHTWLCG-UHFFFAOYSA-N 1 1 407.901 5.492 50 0 HKAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3ccccc3Cl)oc2C)CC1 ZINC000011879643 558294256 /nfs/dbraw/zinc/29/42/56/558294256.db2.gz UQGZIFIVJAUSSS-UHFFFAOYSA-N 1 1 412.917 5.355 50 0 HKAAMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](COc3ccccc3F)C2)c(C)o1 ZINC000011880078 558294708 /nfs/dbraw/zinc/29/47/08/558294708.db2.gz DBAXUJCCLCCYQN-GOSISDBHSA-N 1 1 410.489 5.089 50 0 HKAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](COc3ccccc3F)C2)c(C)o1 ZINC000011880078 558294711 /nfs/dbraw/zinc/29/47/11/558294711.db2.gz DBAXUJCCLCCYQN-GOSISDBHSA-N 1 1 410.489 5.089 50 0 HKAAMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)c(C)o1 ZINC000011880079 558294678 /nfs/dbraw/zinc/29/46/78/558294678.db2.gz DBAXUJCCLCCYQN-SFHVURJKSA-N 1 1 410.489 5.089 50 0 HKAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](COc3ccccc3F)C2)c(C)o1 ZINC000011880079 558294680 /nfs/dbraw/zinc/29/46/80/558294680.db2.gz DBAXUJCCLCCYQN-SFHVURJKSA-N 1 1 410.489 5.089 50 0 HKAAMO C[C@@H]([NH2+]Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1ccco1 ZINC000011911334 558296944 /nfs/dbraw/zinc/29/69/44/558296944.db2.gz AMUAWRHLPFWEKM-QGZVFWFLSA-N 1 1 422.912 5.178 50 0 HKAAMO C[C@H]([NH2+]Cc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1ccco1 ZINC000011911335 558296937 /nfs/dbraw/zinc/29/69/37/558296937.db2.gz AMUAWRHLPFWEKM-KRWDZBQOSA-N 1 1 422.912 5.178 50 0 HKAAMO COc1ccc(-n2cc(C[NH2+][C@@H](C)c3csc(C)n3)c(-c3cccc(F)c3)n2)cc1 ZINC000011932710 558297378 /nfs/dbraw/zinc/29/73/78/558297378.db2.gz FSKKRCHHMMTPSW-HNNXBMFYSA-N 1 1 422.529 5.303 50 0 HKAAMO COc1ccc(-n2cc(C[NH2+][C@H](C)c3csc(C)n3)c(-c3cccc(F)c3)n2)cc1 ZINC000011932711 558297370 /nfs/dbraw/zinc/29/73/70/558297370.db2.gz FSKKRCHHMMTPSW-OAHLLOKOSA-N 1 1 422.529 5.303 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011933310 558298220 /nfs/dbraw/zinc/29/82/20/558298220.db2.gz OKIWDFYJCWQTCA-IBGZPJMESA-N 1 1 400.950 5.022 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011933311 558298222 /nfs/dbraw/zinc/29/82/22/558298222.db2.gz OKIWDFYJCWQTCA-LJQANCHMSA-N 1 1 400.950 5.022 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000011933864 558298247 /nfs/dbraw/zinc/29/82/47/558298247.db2.gz MZFXUUWCZNITKB-OAQYLSRUSA-N 1 1 418.512 5.352 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000011933865 558298267 /nfs/dbraw/zinc/29/82/67/558298267.db2.gz MZFXUUWCZNITKB-NRFANRHFSA-N 1 1 418.512 5.352 50 0 HKAAMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011934434 558298706 /nfs/dbraw/zinc/29/87/06/558298706.db2.gz YWIGEJCLONLBBY-QHCPKHFHSA-N 1 1 422.525 5.403 50 0 HKAAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011934434 558298708 /nfs/dbraw/zinc/29/87/08/558298708.db2.gz YWIGEJCLONLBBY-QHCPKHFHSA-N 1 1 422.525 5.403 50 0 HKAAMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011934435 558298656 /nfs/dbraw/zinc/29/86/56/558298656.db2.gz YWIGEJCLONLBBY-HSZRJFAPSA-N 1 1 422.525 5.403 50 0 HKAAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2nc(-c3ccc(OC)cc3OC)oc2C)c1 ZINC000011934435 558298658 /nfs/dbraw/zinc/29/86/58/558298658.db2.gz YWIGEJCLONLBBY-HSZRJFAPSA-N 1 1 422.525 5.403 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1)Nc1ccccc1F ZINC000011935399 558299510 /nfs/dbraw/zinc/29/95/10/558299510.db2.gz JFIDVALOTPEFJZ-SFHVURJKSA-N 1 1 412.553 5.227 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1)Nc1ccccc1F ZINC000011935400 558299515 /nfs/dbraw/zinc/29/95/15/558299515.db2.gz JFIDVALOTPEFJZ-GOSISDBHSA-N 1 1 412.553 5.227 50 0 HKAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000011937723 558301379 /nfs/dbraw/zinc/30/13/79/558301379.db2.gz JWJXQLGROHUBJY-LJQANCHMSA-N 1 1 421.928 5.378 50 0 HKAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000011937724 558301290 /nfs/dbraw/zinc/30/12/90/558301290.db2.gz JWJXQLGROHUBJY-IBGZPJMESA-N 1 1 421.928 5.378 50 0 HKAAMO Fc1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1F ZINC000011937928 558301265 /nfs/dbraw/zinc/30/12/65/558301265.db2.gz QFZDDLVRXWQXBR-NRFANRHFSA-N 1 1 413.556 5.407 50 0 HKAAMO Fc1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1F ZINC000011937929 558301316 /nfs/dbraw/zinc/30/13/16/558301316.db2.gz QFZDDLVRXWQXBR-OAQYLSRUSA-N 1 1 413.556 5.407 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](CCC(=O)NC4CC4)C3)ccc21 ZINC000011938153 558301533 /nfs/dbraw/zinc/30/15/33/558301533.db2.gz MXRSHIYZNTUGLF-IBGZPJMESA-N 1 1 403.570 5.085 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](CCC(=O)NC4CC4)C3)ccc21 ZINC000011938154 558301574 /nfs/dbraw/zinc/30/15/74/558301574.db2.gz MXRSHIYZNTUGLF-LJQANCHMSA-N 1 1 403.570 5.085 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000011953674 558303273 /nfs/dbraw/zinc/30/32/73/558303273.db2.gz REEZGRCYMGNAPZ-INIZCTEOSA-N 1 1 408.439 5.475 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1)Nc1ccccc1F ZINC000011953682 558303251 /nfs/dbraw/zinc/30/32/51/558303251.db2.gz REEZGRCYMGNAPZ-MRXNPFEDSA-N 1 1 408.439 5.475 50 0 HKAAMO COc1cccc(-c2nc(C[N@@H+](C)C[C@@]3(c4ccccc4)CC3(C)C)c(C)o2)c1OC ZINC000011998805 558307648 /nfs/dbraw/zinc/30/76/48/558307648.db2.gz HQBBSIBPHRUIKH-AREMUKBSSA-N 1 1 420.553 5.467 50 0 HKAAMO COc1cccc(-c2nc(C[N@@H+](C)C[C@]3(c4ccccc4)CC3(C)C)c(C)o2)c1OC ZINC000011998808 558307713 /nfs/dbraw/zinc/30/77/13/558307713.db2.gz HQBBSIBPHRUIKH-SANMLTNESA-N 1 1 420.553 5.467 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000012001113 558308427 /nfs/dbraw/zinc/30/84/27/558308427.db2.gz DAYFCHOHLHLMRW-INIZCTEOSA-N 1 1 408.439 5.475 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1F ZINC000012001118 558308391 /nfs/dbraw/zinc/30/83/91/558308391.db2.gz DAYFCHOHLHLMRW-MRXNPFEDSA-N 1 1 408.439 5.475 50 0 HKAAMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)c(C)o1 ZINC000012002466 558308695 /nfs/dbraw/zinc/30/86/95/558308695.db2.gz HEDCZDAQXRCULZ-OAQYLSRUSA-N 1 1 418.537 5.073 50 0 HKAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)c(C)o1 ZINC000012002466 558308696 /nfs/dbraw/zinc/30/86/96/558308696.db2.gz HEDCZDAQXRCULZ-OAQYLSRUSA-N 1 1 418.537 5.073 50 0 HKAAMO COc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)c(C)o1 ZINC000012002475 558308689 /nfs/dbraw/zinc/30/86/89/558308689.db2.gz HEDCZDAQXRCULZ-NRFANRHFSA-N 1 1 418.537 5.073 50 0 HKAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)c(C)o1 ZINC000012002475 558308691 /nfs/dbraw/zinc/30/86/91/558308691.db2.gz HEDCZDAQXRCULZ-NRFANRHFSA-N 1 1 418.537 5.073 50 0 HKAAMO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@H+](Cc1cccc3cccnc31)C2 ZINC000012036806 558311913 /nfs/dbraw/zinc/31/19/13/558311913.db2.gz KDWCSQHYQGRCGZ-UHFFFAOYSA-N 1 1 416.908 5.655 50 0 HKAAMO Oc1cc(-c2cccc(Cl)c2)cc2c1OCC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000012036806 558311915 /nfs/dbraw/zinc/31/19/15/558311915.db2.gz KDWCSQHYQGRCGZ-UHFFFAOYSA-N 1 1 416.908 5.655 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1)N1CCCC1 ZINC000012049590 558313482 /nfs/dbraw/zinc/31/34/82/558313482.db2.gz OFRGNRVUFGMPSQ-SFHVURJKSA-N 1 1 400.950 5.215 50 0 HKAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C1)N1CCCC1 ZINC000012049597 558313525 /nfs/dbraw/zinc/31/35/25/558313525.db2.gz OFRGNRVUFGMPSQ-GOSISDBHSA-N 1 1 400.950 5.215 50 0 HKAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000012050915 558314066 /nfs/dbraw/zinc/31/40/66/558314066.db2.gz GLBFPGIAYRBDLM-DEOSSOPVSA-N 1 1 417.553 5.198 50 0 HKAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(-c3ccccc3)cc2)oc1C ZINC000012050919 558314103 /nfs/dbraw/zinc/31/41/03/558314103.db2.gz GLBFPGIAYRBDLM-XMMPIXPASA-N 1 1 417.553 5.198 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+](Cc3ccccc3)CC3CC3)c(C)o2)c(OC)c1C ZINC000012076003 558319661 /nfs/dbraw/zinc/31/96/61/558319661.db2.gz HFKVQXUGSVPOEV-UHFFFAOYSA-N 1 1 406.526 5.388 50 0 HKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000012076490 558320188 /nfs/dbraw/zinc/32/01/88/558320188.db2.gz VUTCVIXFRFURMY-UHFFFAOYSA-N 1 1 408.505 5.621 50 0 HKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000012076490 558320191 /nfs/dbraw/zinc/32/01/91/558320191.db2.gz VUTCVIXFRFURMY-UHFFFAOYSA-N 1 1 408.505 5.621 50 0 HKAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1)c1cccs1 ZINC000012076615 558320158 /nfs/dbraw/zinc/32/01/58/558320158.db2.gz PSBWRIWYDCBQRV-AWEZNQCLSA-N 1 1 404.988 5.258 50 0 HKAAMO O=C(NC[C@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1)c1cccs1 ZINC000012076617 558320108 /nfs/dbraw/zinc/32/01/08/558320108.db2.gz PSBWRIWYDCBQRV-CQSZACIVSA-N 1 1 404.988 5.258 50 0 HKAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000012093432 558324702 /nfs/dbraw/zinc/32/47/02/558324702.db2.gz JBCOFFDYHIPDQI-UHFFFAOYSA-N 1 1 412.917 5.355 50 0 HKAAMO COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[N@@H+](CC(C)C)C2 ZINC000012098351 560889034 /nfs/dbraw/zinc/88/90/34/560889034.db2.gz SJZUKWBDIXQDGA-UHFFFAOYSA-N 1 1 414.855 5.280 50 0 HKAAMO COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[N@H+](C(C)C)C2 ZINC000012099102 558325612 /nfs/dbraw/zinc/32/56/12/558325612.db2.gz XVTHIBKUYFDVKU-UHFFFAOYSA-N 1 1 400.828 5.032 50 0 HKAAMO Cc1cc(C[N@@H+](C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)on1 ZINC000012111874 558326391 /nfs/dbraw/zinc/32/63/91/558326391.db2.gz ZKGUCUZNWKMZHA-UHFFFAOYSA-N 1 1 408.452 5.054 50 0 HKAAMO Cc1cc(C[N@H+](C)Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)on1 ZINC000012111874 558326393 /nfs/dbraw/zinc/32/63/93/558326393.db2.gz ZKGUCUZNWKMZHA-UHFFFAOYSA-N 1 1 408.452 5.054 50 0 HKAAMO COc1ccc(CN2C(=O)CC[C@@H]3C[N@H+](CCC4=C(C)CCCC4(C)C)CC[C@@H]32)cc1 ZINC000012150209 558338952 /nfs/dbraw/zinc/33/89/52/558338952.db2.gz CRGLUKXLFIFYGA-RDGATRHJSA-N 1 1 424.629 5.425 50 0 HKAAMO CC[C@@H](C)C[N@H+]1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2C)C1 ZINC000012161089 560890615 /nfs/dbraw/zinc/89/06/15/560890615.db2.gz JADHVJMOVYSPGN-DENIHFKCSA-N 1 1 400.570 5.740 50 0 HKAAMO CC[C@H](C)C[N@H+]1CCC[C@@H](c2nc(-c3ccncc3)ncc2-c2ccccc2C)C1 ZINC000012161095 560890612 /nfs/dbraw/zinc/89/06/12/560890612.db2.gz JADHVJMOVYSPGN-SIKLNZKXSA-N 1 1 400.570 5.740 50 0 HKAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1 ZINC000012193061 558348390 /nfs/dbraw/zinc/34/83/90/558348390.db2.gz QIJFNRYFRMLUDJ-UHFFFAOYSA-N 1 1 417.532 5.001 50 0 HKAAMO CSc1ccc(NC(=O)[C@@H]2CC23CC[NH+](Cc2c(F)cccc2Cl)CC3)cc1 ZINC000012202197 558351822 /nfs/dbraw/zinc/35/18/22/558351822.db2.gz ZMVIKJNHHDBOSP-SFHVURJKSA-N 1 1 418.965 5.442 50 0 HKAAMO CSc1ccc(NC(=O)[C@H]2CC23CC[NH+](Cc2c(F)cccc2Cl)CC3)cc1 ZINC000012202203 558351676 /nfs/dbraw/zinc/35/16/76/558351676.db2.gz ZMVIKJNHHDBOSP-GOSISDBHSA-N 1 1 418.965 5.442 50 0 HKAAMO COc1ccc(OC2CC[NH+](Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 ZINC000012203168 558351957 /nfs/dbraw/zinc/35/19/57/558351957.db2.gz WFBULNGDWDMSHQ-UHFFFAOYSA-N 1 1 412.917 5.355 50 0 HKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000012209988 558353740 /nfs/dbraw/zinc/35/37/40/558353740.db2.gz CBPNDLQNMQDRAC-OAQYLSRUSA-N 1 1 400.526 5.445 50 0 HKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCCC[C@H]1CCn1cccn1 ZINC000012209995 558353812 /nfs/dbraw/zinc/35/38/12/558353812.db2.gz CBPNDLQNMQDRAC-NRFANRHFSA-N 1 1 400.526 5.445 50 0 HKAAMO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000012298188 558368207 /nfs/dbraw/zinc/36/82/07/558368207.db2.gz IYZZSTXHVWJPFP-UHFFFAOYSA-N 1 1 406.489 5.689 50 0 HKAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000012302082 558371744 /nfs/dbraw/zinc/37/17/44/558371744.db2.gz LLIRLWQHYZEYMA-GOSISDBHSA-N 1 1 421.566 5.133 50 0 HKAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000012302083 558371882 /nfs/dbraw/zinc/37/18/82/558371882.db2.gz LLIRLWQHYZEYMA-SFHVURJKSA-N 1 1 421.566 5.133 50 0 HKAAMO Cc1cccc(N2CCC([N@H+]3CCC[C@@H](CCC(=O)Nc4ccccc4F)C3)CC2)c1 ZINC000012304905 132358246 /nfs/dbraw/zinc/35/82/46/132358246.db2.gz NGLQOVXGPJECKD-NRFANRHFSA-N 1 1 423.576 5.234 50 0 HKAAMO Cc1cccc(N2CCC([N@H+]3CCC[C@H](CCC(=O)Nc4ccccc4F)C3)CC2)c1 ZINC000012304907 132358263 /nfs/dbraw/zinc/35/82/63/132358263.db2.gz NGLQOVXGPJECKD-OAQYLSRUSA-N 1 1 423.576 5.234 50 0 HKAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)n1 ZINC000012306087 558374945 /nfs/dbraw/zinc/37/49/45/558374945.db2.gz UCMNBRHOHXNBRN-JOCHJYFZSA-N 1 1 424.548 5.389 50 0 HKAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)n1 ZINC000012306089 558374925 /nfs/dbraw/zinc/37/49/25/558374925.db2.gz UCMNBRHOHXNBRN-QFIPXVFZSA-N 1 1 424.548 5.389 50 0 HKAAMO CCOc1ccccc1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012306094 558374983 /nfs/dbraw/zinc/37/49/83/558374983.db2.gz CTSDLWCUMOTJJU-UHFFFAOYSA-N 1 1 407.602 5.137 50 0 HKAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000012308250 558376670 /nfs/dbraw/zinc/37/66/70/558376670.db2.gz ZEBUVWVVCOBGPN-UHFFFAOYSA-N 1 1 423.463 5.003 50 0 HKAAMO COc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000012308904 558376873 /nfs/dbraw/zinc/37/68/73/558376873.db2.gz UUMAUVSIEXCNHI-DEOSSOPVSA-N 1 1 407.602 5.137 50 0 HKAAMO COc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000012308905 558376961 /nfs/dbraw/zinc/37/69/61/558376961.db2.gz UUMAUVSIEXCNHI-XMMPIXPASA-N 1 1 407.602 5.137 50 0 HKAAMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012313814 558377115 /nfs/dbraw/zinc/37/71/15/558377115.db2.gz HGIWSWBOPJPFHJ-NRFANRHFSA-N 1 1 408.498 5.013 50 0 HKAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012313814 558377116 /nfs/dbraw/zinc/37/71/16/558377116.db2.gz HGIWSWBOPJPFHJ-NRFANRHFSA-N 1 1 408.498 5.013 50 0 HKAAMO COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012313815 558377223 /nfs/dbraw/zinc/37/72/23/558377223.db2.gz HGIWSWBOPJPFHJ-OAQYLSRUSA-N 1 1 408.498 5.013 50 0 HKAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012313815 558377227 /nfs/dbraw/zinc/37/72/27/558377227.db2.gz HGIWSWBOPJPFHJ-OAQYLSRUSA-N 1 1 408.498 5.013 50 0 HKAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@H+]1CCCC(F)(F)F ZINC000012313967 558377479 /nfs/dbraw/zinc/37/74/79/558377479.db2.gz RVZQVHYGJPSLKF-LJQANCHMSA-N 1 1 407.436 5.009 50 0 HKAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@H]1CCCC[N@@H+]1CCCC(F)(F)F ZINC000012313967 558377481 /nfs/dbraw/zinc/37/74/81/558377481.db2.gz RVZQVHYGJPSLKF-LJQANCHMSA-N 1 1 407.436 5.009 50 0 HKAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@H+]1CCCC(F)(F)F ZINC000012313968 558377546 /nfs/dbraw/zinc/37/75/46/558377546.db2.gz RVZQVHYGJPSLKF-IBGZPJMESA-N 1 1 407.436 5.009 50 0 HKAAMO O=C(Nc1ccc(Oc2cccnc2)cc1)[C@@H]1CCCC[N@@H+]1CCCC(F)(F)F ZINC000012313968 558377547 /nfs/dbraw/zinc/37/75/47/558377547.db2.gz RVZQVHYGJPSLKF-IBGZPJMESA-N 1 1 407.436 5.009 50 0 HKAAMO O=C(Nc1ccc(-c2cscn2)cc1)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000012314131 558377532 /nfs/dbraw/zinc/37/75/32/558377532.db2.gz BFINPUGSFIYCAF-FAZYEBOESA-N 1 1 403.551 5.174 50 0 HKAAMO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000012314132 558377867 /nfs/dbraw/zinc/37/78/67/558377867.db2.gz BFINPUGSFIYCAF-VPVJOJIASA-N 1 1 403.551 5.174 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+]2CCCC(F)(F)F)cc1 ZINC000012314248 558377861 /nfs/dbraw/zinc/37/78/61/558377861.db2.gz NDENYMAWDOWQKZ-FQEVSTJZSA-N 1 1 406.448 5.108 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+]2CCCC(F)(F)F)cc1 ZINC000012314249 558377738 /nfs/dbraw/zinc/37/77/38/558377738.db2.gz NDENYMAWDOWQKZ-HXUWFJFHSA-N 1 1 406.448 5.108 50 0 HKAAMO CCn1c(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)nc2ccccc21 ZINC000012315586 558378900 /nfs/dbraw/zinc/37/89/00/558378900.db2.gz FPIXIFDMVAIYBY-IBGZPJMESA-N 1 1 422.548 5.135 50 0 HKAAMO CCn1c(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)nc2ccccc21 ZINC000012315587 558378824 /nfs/dbraw/zinc/37/88/24/558378824.db2.gz FPIXIFDMVAIYBY-LJQANCHMSA-N 1 1 422.548 5.135 50 0 HKAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000012317742 558381072 /nfs/dbraw/zinc/38/10/72/558381072.db2.gz ZNCLVLYUQDETTJ-QGZVFWFLSA-N 1 1 409.530 5.033 50 0 HKAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000012317743 558381138 /nfs/dbraw/zinc/38/11/38/558381138.db2.gz ZNCLVLYUQDETTJ-KRWDZBQOSA-N 1 1 409.530 5.033 50 0 HKAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000012318362 558381317 /nfs/dbraw/zinc/38/13/17/558381317.db2.gz DKLZGVGTPRKJTK-UHFFFAOYSA-N 1 1 423.463 5.003 50 0 HKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000012319077 558381692 /nfs/dbraw/zinc/38/16/92/558381692.db2.gz SGUPMUHBJDUVCR-HXUWFJFHSA-N 1 1 401.432 5.791 50 0 HKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000012319077 558381697 /nfs/dbraw/zinc/38/16/97/558381697.db2.gz SGUPMUHBJDUVCR-HXUWFJFHSA-N 1 1 401.432 5.791 50 0 HKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000012319079 558381748 /nfs/dbraw/zinc/38/17/48/558381748.db2.gz SGUPMUHBJDUVCR-FQEVSTJZSA-N 1 1 401.432 5.791 50 0 HKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000012319079 558381750 /nfs/dbraw/zinc/38/17/50/558381750.db2.gz SGUPMUHBJDUVCR-FQEVSTJZSA-N 1 1 401.432 5.791 50 0 HKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000012320054 558382042 /nfs/dbraw/zinc/38/20/42/558382042.db2.gz IXKQCQXMEJSCHC-LJQANCHMSA-N 1 1 411.889 5.154 50 0 HKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000012320054 558382046 /nfs/dbraw/zinc/38/20/46/558382046.db2.gz IXKQCQXMEJSCHC-LJQANCHMSA-N 1 1 411.889 5.154 50 0 HKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000012320056 558382058 /nfs/dbraw/zinc/38/20/58/558382058.db2.gz IXKQCQXMEJSCHC-IBGZPJMESA-N 1 1 411.889 5.154 50 0 HKAAMO Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000012320056 558382062 /nfs/dbraw/zinc/38/20/62/558382062.db2.gz IXKQCQXMEJSCHC-IBGZPJMESA-N 1 1 411.889 5.154 50 0 HKAAMO C[N@@H+]1C[C@@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000012338623 558385780 /nfs/dbraw/zinc/38/57/80/558385780.db2.gz GUAHHIHOYRGRSC-ZLNRFVROSA-N 1 1 403.909 5.325 50 0 HKAAMO C[N@H+]1C[C@@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000012338623 558385783 /nfs/dbraw/zinc/38/57/83/558385783.db2.gz GUAHHIHOYRGRSC-ZLNRFVROSA-N 1 1 403.909 5.325 50 0 HKAAMO CC(=O)Oc1ccccc1/C(=C/C=C(c1ccccc1)c1ccccc1)[NH+]1CCCCC1 ZINC000012368079 558388711 /nfs/dbraw/zinc/38/87/11/558388711.db2.gz CCGCELJTKBBTMD-RRAHZORUSA-N 1 1 423.556 6.571 50 0 HKAAMO COc1ccc(C=O)cc1C[NH+]1CCC(Cl)(c2cccc(C(F)(F)F)c2)CC1 ZINC000012371091 558389627 /nfs/dbraw/zinc/38/96/27/558389627.db2.gz RHVLXKZFNXBKRH-UHFFFAOYSA-N 1 1 411.851 5.257 50 0 HKAAMO CC(=O)c1cc(C[NH+]2CCC(CCC(=O)Nc3ccc(F)c(Cl)c3)CC2)cs1 ZINC000012373593 558390810 /nfs/dbraw/zinc/39/08/10/558390810.db2.gz RJPPMDINBWDDHS-UHFFFAOYSA-N 1 1 422.953 5.374 50 0 HKAAMO C[NH+](C)C1(c2nnnn2[C@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 ZINC000012381212 568608006 /nfs/dbraw/zinc/60/80/06/568608006.db2.gz HMFZJGNSWBAPTK-LECLMCCNSA-N 1 1 422.404 5.611 50 0 HKAAMO C[NH+](C)C1(c2nnnn2[C@@H](/C=C\c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 ZINC000012381213 568607997 /nfs/dbraw/zinc/60/79/97/568607997.db2.gz HMFZJGNSWBAPTK-FYGXRCCRSA-N 1 1 422.404 5.611 50 0 HKAAMO CCc1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)on1 ZINC000012385504 558394521 /nfs/dbraw/zinc/39/45/21/558394521.db2.gz IFGLHPARKPEAAR-UHFFFAOYSA-N 1 1 412.493 5.185 50 0 HKAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000012385656 558394499 /nfs/dbraw/zinc/39/44/99/558394499.db2.gz LAHAYAHUVYCZGW-KRWDZBQOSA-N 1 1 415.578 5.100 50 0 HKAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000012385657 558394553 /nfs/dbraw/zinc/39/45/53/558394553.db2.gz LAHAYAHUVYCZGW-QGZVFWFLSA-N 1 1 415.578 5.100 50 0 HKAAMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccc(C)cc4)CC3)c(C)o2)cc1C ZINC000012386961 558395909 /nfs/dbraw/zinc/39/59/09/558395909.db2.gz FUFWXLAVUZLSEK-UHFFFAOYSA-N 1 1 406.526 5.319 50 0 HKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3[nH]c4ccccc4c3C)C2)c(C)c1 ZINC000012387601 558396399 /nfs/dbraw/zinc/39/63/99/558396399.db2.gz FPSRKKLGYXAUDF-FQEVSTJZSA-N 1 1 419.569 5.424 50 0 HKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3[nH]c4ccccc4c3C)C2)c(C)c1 ZINC000012387602 558396474 /nfs/dbraw/zinc/39/64/74/558396474.db2.gz FPSRKKLGYXAUDF-HXUWFJFHSA-N 1 1 419.569 5.424 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1)NCc1ccccc1Cl ZINC000012431726 558406272 /nfs/dbraw/zinc/40/62/72/558406272.db2.gz HLXBPHJCXFTXQM-IBGZPJMESA-N 1 1 421.972 5.197 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1)NCc1ccccc1Cl ZINC000012431727 558406269 /nfs/dbraw/zinc/40/62/69/558406269.db2.gz HLXBPHJCXFTXQM-LJQANCHMSA-N 1 1 421.972 5.197 50 0 HKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)ccc2c1 ZINC000012434338 558408283 /nfs/dbraw/zinc/40/82/83/558408283.db2.gz ZCFGUUHQEMZVOW-UHFFFAOYSA-N 1 1 423.520 5.056 50 0 HKAAMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012434523 558408407 /nfs/dbraw/zinc/40/84/07/558408407.db2.gz KTZPAYLQYSLLTI-RUZDIDTESA-N 1 1 410.521 5.612 50 0 HKAAMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccn2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000012434524 558408381 /nfs/dbraw/zinc/40/83/81/558408381.db2.gz KTZPAYLQYSLLTI-VWLOTQADSA-N 1 1 410.521 5.612 50 0 HKAAMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CCc3ccccn3)n2)cc1 ZINC000012434957 558408642 /nfs/dbraw/zinc/40/86/42/558408642.db2.gz NAZQVEXJKDVNNF-LJQANCHMSA-N 1 1 416.447 5.138 50 0 HKAAMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CCc3ccccn3)n2)cc1 ZINC000012434958 558408776 /nfs/dbraw/zinc/40/87/76/558408776.db2.gz NAZQVEXJKDVNNF-IBGZPJMESA-N 1 1 416.447 5.138 50 0 HKAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012436280 558409073 /nfs/dbraw/zinc/40/90/73/558409073.db2.gz QEQWMVGYMPXDFY-JOCHJYFZSA-N 1 1 415.537 5.157 50 0 HKAAMO O=C(Nc1ccccc1Oc1cccnc1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012436281 558409039 /nfs/dbraw/zinc/40/90/39/558409039.db2.gz QEQWMVGYMPXDFY-QFIPXVFZSA-N 1 1 415.537 5.157 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F ZINC000012438841 558410339 /nfs/dbraw/zinc/41/03/39/558410339.db2.gz TYZPNLREMGWWBJ-SFHVURJKSA-N 1 1 423.557 5.580 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)s2)C1)Nc1ccccc1F ZINC000012438842 558410331 /nfs/dbraw/zinc/41/03/31/558410331.db2.gz TYZPNLREMGWWBJ-GOSISDBHSA-N 1 1 423.557 5.580 50 0 HKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)CC(C)C)C1 ZINC000012438925 558410420 /nfs/dbraw/zinc/41/04/20/558410420.db2.gz LBPFLZFQZIQGKX-QGZVFWFLSA-N 1 1 408.464 5.496 50 0 HKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCC[C@@H](C(=O)CC(C)C)C1 ZINC000012438925 558410423 /nfs/dbraw/zinc/41/04/23/558410423.db2.gz LBPFLZFQZIQGKX-QGZVFWFLSA-N 1 1 408.464 5.496 50 0 HKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCC[C@H](C(=O)CC(C)C)C1 ZINC000012438926 558410396 /nfs/dbraw/zinc/41/03/96/558410396.db2.gz LBPFLZFQZIQGKX-KRWDZBQOSA-N 1 1 408.464 5.496 50 0 HKAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCC[C@H](C(=O)CC(C)C)C1 ZINC000012438926 558410399 /nfs/dbraw/zinc/41/03/99/558410399.db2.gz LBPFLZFQZIQGKX-KRWDZBQOSA-N 1 1 408.464 5.496 50 0 HKAAMO Cc1c2cccc(C)c2[nH]c1C[N@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012439390 558410859 /nfs/dbraw/zinc/41/08/59/558410859.db2.gz DMWUPEYBOHIFEE-IBGZPJMESA-N 1 1 407.533 5.555 50 0 HKAAMO Cc1c2cccc(C)c2[nH]c1C[N@H+]1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000012439391 558410758 /nfs/dbraw/zinc/41/07/58/558410758.db2.gz DMWUPEYBOHIFEE-LJQANCHMSA-N 1 1 407.533 5.555 50 0 HKAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000012440942 558411709 /nfs/dbraw/zinc/41/17/09/558411709.db2.gz VDYYVQFVIMVOFX-KRWDZBQOSA-N 1 1 420.475 5.366 50 0 HKAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000012440944 558412002 /nfs/dbraw/zinc/41/20/02/558412002.db2.gz VDYYVQFVIMVOFX-QGZVFWFLSA-N 1 1 420.475 5.366 50 0 HKAAMO Cc1cnc(SCc2ccccn2)nc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012456276 558417297 /nfs/dbraw/zinc/41/72/97/558417297.db2.gz BWUKTQPOXWAMGH-JOCHJYFZSA-N 1 1 418.610 5.285 50 0 HKAAMO Cc1cnc(SCc2ccccn2)nc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012456278 558417331 /nfs/dbraw/zinc/41/73/31/558417331.db2.gz BWUKTQPOXWAMGH-QFIPXVFZSA-N 1 1 418.610 5.285 50 0 HKAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)c1 ZINC000012460196 558419152 /nfs/dbraw/zinc/41/91/52/558419152.db2.gz MBFNULUCGSJHGU-OAQYLSRUSA-N 1 1 401.510 5.033 50 0 HKAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)c1 ZINC000012460197 558419173 /nfs/dbraw/zinc/41/91/73/558419173.db2.gz MBFNULUCGSJHGU-NRFANRHFSA-N 1 1 401.510 5.033 50 0 HKAAMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012494869 568839029 /nfs/dbraw/zinc/83/90/29/568839029.db2.gz FQCKFBWOIYBMAE-FGZHOGPDSA-N 1 1 422.396 5.725 50 0 HKAAMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000012494882 568839067 /nfs/dbraw/zinc/83/90/67/568839067.db2.gz FQCKFBWOIYBMAE-FCHUYYIVSA-N 1 1 422.396 5.725 50 0 HKAAMO c1cn2c(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2s1 ZINC000012551838 568853799 /nfs/dbraw/zinc/85/37/99/568853799.db2.gz IAIXWMINOGVFIM-IBGZPJMESA-N 1 1 417.534 5.171 50 0 HKAAMO c1cn2c(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(-c3ccccc3)nc2s1 ZINC000012551841 568853854 /nfs/dbraw/zinc/85/38/54/568853854.db2.gz IAIXWMINOGVFIM-LJQANCHMSA-N 1 1 417.534 5.171 50 0 HKAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012554122 568854852 /nfs/dbraw/zinc/85/48/52/568854852.db2.gz AEJQXUOHVDFWLI-GOSISDBHSA-N 1 1 423.504 5.143 50 0 HKAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012554122 568854853 /nfs/dbraw/zinc/85/48/53/568854853.db2.gz AEJQXUOHVDFWLI-GOSISDBHSA-N 1 1 423.504 5.143 50 0 HKAAMO O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012554123 568854923 /nfs/dbraw/zinc/85/49/23/568854923.db2.gz AEJQXUOHVDFWLI-SFHVURJKSA-N 1 1 423.504 5.143 50 0 HKAAMO O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000012554123 568854926 /nfs/dbraw/zinc/85/49/26/568854926.db2.gz AEJQXUOHVDFWLI-SFHVURJKSA-N 1 1 423.504 5.143 50 0 HKAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 ZINC000012561516 568858470 /nfs/dbraw/zinc/85/84/70/568858470.db2.gz HZGYJRYBXODOSF-HYFFOGBASA-N 1 1 422.396 5.438 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)c2ccccc2)c1 ZINC000012567031 132364472 /nfs/dbraw/zinc/36/44/72/132364472.db2.gz STHLDUVYGRGXED-SANMLTNESA-N 1 1 413.565 6.086 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc([NH+]3CCCCC3)cc2)c2ccccc2)c1 ZINC000012567032 132364481 /nfs/dbraw/zinc/36/44/81/132364481.db2.gz STHLDUVYGRGXED-AREMUKBSSA-N 1 1 413.565 6.086 50 0 HKAAMO COc1cccc(NC(=O)[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)c2ccccc2)c1 ZINC000012567310 537128861 /nfs/dbraw/zinc/12/88/61/537128861.db2.gz YETDZRNSLBENJQ-VWLOTQADSA-N 1 1 415.537 5.477 50 0 HKAAMO COc1cccc(NC(=O)[C@H](Nc2ccc([NH+]3CCCCC3)cc2)c2ccccc2)c1 ZINC000012567311 132364441 /nfs/dbraw/zinc/36/44/41/132364441.db2.gz YETDZRNSLBENJQ-RUZDIDTESA-N 1 1 415.537 5.477 50 0 HKAAMO Cc1ccc(-n2cc(C[NH2+]Cc3cc(C(C)C)no3)c(-c3cccc(C)c3)n2)cc1 ZINC000012570781 558428817 /nfs/dbraw/zinc/42/88/17/558428817.db2.gz QPGBNPSQHUXFKE-UHFFFAOYSA-N 1 1 400.526 5.557 50 0 HKAAMO Cc1cc(C[N@@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)on1 ZINC000012571379 558429300 /nfs/dbraw/zinc/42/93/00/558429300.db2.gz ZFISJOBXBPYUCS-UHFFFAOYSA-N 1 1 412.493 5.273 50 0 HKAAMO Cc1cc(C[N@H+](C)Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)on1 ZINC000012571379 558429304 /nfs/dbraw/zinc/42/93/04/558429304.db2.gz ZFISJOBXBPYUCS-UHFFFAOYSA-N 1 1 412.493 5.273 50 0 HKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](C/C=C/c3ccco3)C2)cc1Cl ZINC000012573986 558430338 /nfs/dbraw/zinc/43/03/38/558430338.db2.gz PSIAJRNSCZFTGH-ZVVFDCPKSA-N 1 1 402.922 5.086 50 0 HKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](C/C=C/c3ccco3)C2)cc1Cl ZINC000012573994 558430308 /nfs/dbraw/zinc/43/03/08/558430308.db2.gz PSIAJRNSCZFTGH-ZNNBYXKUSA-N 1 1 402.922 5.086 50 0 HKAAMO CC(=O)c1cc(C[NH+]2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cs1 ZINC000012581174 558432592 /nfs/dbraw/zinc/43/25/92/558432592.db2.gz IDGOOUGISHPWPX-UHFFFAOYSA-N 1 1 404.963 5.235 50 0 HKAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CO)(CCCc2ccccc2)CC1 ZINC000012581495 558432649 /nfs/dbraw/zinc/43/26/49/558432649.db2.gz KPIMERHQITYLDF-UHFFFAOYSA-N 1 1 410.583 5.309 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+](C)CC34CC5CC(CC(C5)C3)C4)c(C)o2)cc1OC ZINC000012581856 558432535 /nfs/dbraw/zinc/43/25/35/558432535.db2.gz SXCMVVORYXDZLX-UHFFFAOYSA-N 1 1 410.558 5.315 50 0 HKAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n1 ZINC000012584594 558433657 /nfs/dbraw/zinc/43/36/57/558433657.db2.gz CDWYDAWLSQTOKC-GOSISDBHSA-N 1 1 409.555 5.377 50 0 HKAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n1 ZINC000012584594 558433658 /nfs/dbraw/zinc/43/36/58/558433658.db2.gz CDWYDAWLSQTOKC-GOSISDBHSA-N 1 1 409.555 5.377 50 0 HKAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n1 ZINC000012584602 558433611 /nfs/dbraw/zinc/43/36/11/558433611.db2.gz CDWYDAWLSQTOKC-SFHVURJKSA-N 1 1 409.555 5.377 50 0 HKAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)n1 ZINC000012584602 558433614 /nfs/dbraw/zinc/43/36/14/558433614.db2.gz CDWYDAWLSQTOKC-SFHVURJKSA-N 1 1 409.555 5.377 50 0 HKAAMO CSc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 ZINC000012588841 558435067 /nfs/dbraw/zinc/43/50/67/558435067.db2.gz QCFJXJTXKNKTIY-SFHVURJKSA-N 1 1 400.563 5.487 50 0 HKAAMO CSc1cccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)c1 ZINC000012588846 558435152 /nfs/dbraw/zinc/43/51/52/558435152.db2.gz QCFJXJTXKNKTIY-GOSISDBHSA-N 1 1 400.563 5.487 50 0 HKAAMO CC(C)c1nc(C[NH2+]Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)cs1 ZINC000012594913 558437235 /nfs/dbraw/zinc/43/72/35/558437235.db2.gz RCSAOWKFYKTUDQ-UHFFFAOYSA-N 1 1 418.566 5.749 50 0 HKAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012596062 558437800 /nfs/dbraw/zinc/43/78/00/558437800.db2.gz YLTABHPNYQPIET-MRXNPFEDSA-N 1 1 419.472 5.048 50 0 HKAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012596062 558437802 /nfs/dbraw/zinc/43/78/02/558437802.db2.gz YLTABHPNYQPIET-MRXNPFEDSA-N 1 1 419.472 5.048 50 0 HKAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cccn2-c2nccs2)C1 ZINC000012596067 558437783 /nfs/dbraw/zinc/43/77/83/558437783.db2.gz YLTABHPNYQPIET-INIZCTEOSA-N 1 1 419.472 5.048 50 0 HKAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012596067 558437786 /nfs/dbraw/zinc/43/77/86/558437786.db2.gz YLTABHPNYQPIET-INIZCTEOSA-N 1 1 419.472 5.048 50 0 HKAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000012596720 558437866 /nfs/dbraw/zinc/43/78/66/558437866.db2.gz VBSZMIAFWDLUPQ-UHFFFAOYSA-N 1 1 417.532 5.001 50 0 HKAAMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012597252 558438194 /nfs/dbraw/zinc/43/81/94/558438194.db2.gz LAOHQJQXTOKLMV-QFIPXVFZSA-N 1 1 422.525 5.403 50 0 HKAAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012597252 558438196 /nfs/dbraw/zinc/43/81/96/558438196.db2.gz LAOHQJQXTOKLMV-QFIPXVFZSA-N 1 1 422.525 5.403 50 0 HKAAMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012597256 558438236 /nfs/dbraw/zinc/43/82/36/558438236.db2.gz LAOHQJQXTOKLMV-JOCHJYFZSA-N 1 1 422.525 5.403 50 0 HKAAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2nc(-c3cccc(OC)c3OC)oc2C)c1 ZINC000012597256 558438237 /nfs/dbraw/zinc/43/82/37/558438237.db2.gz LAOHQJQXTOKLMV-JOCHJYFZSA-N 1 1 422.525 5.403 50 0 HKAAMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccccc4F)CC3)c(C)o2)cc1C ZINC000012612998 558439203 /nfs/dbraw/zinc/43/92/03/558439203.db2.gz LZNWOKXUZHVDOS-UHFFFAOYSA-N 1 1 410.489 5.150 50 0 HKAAMO C[C@H](c1nnc(-c2ccc(F)cc2)o1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617713 568872136 /nfs/dbraw/zinc/87/21/36/568872136.db2.gz GMZGSFXWGBIZMI-GDBMZVCRSA-N 1 1 408.502 5.426 50 0 HKAAMO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012617717 568872174 /nfs/dbraw/zinc/87/21/74/568872174.db2.gz GMZGSFXWGBIZMI-GOEBONIOSA-N 1 1 408.502 5.426 50 0 HKAAMO Cc1cc(C)cc(NC(=O)[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000012628809 558440837 /nfs/dbraw/zinc/44/08/37/558440837.db2.gz PHLYOGOQMXAWIW-QFQXNSOFSA-N 1 1 424.548 5.520 50 0 HKAAMO Cc1cc(C)cc(NC(=O)[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000012628812 558441116 /nfs/dbraw/zinc/44/11/16/558441116.db2.gz PHLYOGOQMXAWIW-HFZDXXHNSA-N 1 1 424.548 5.520 50 0 HKAAMO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000012628815 558441083 /nfs/dbraw/zinc/44/10/83/558441083.db2.gz PHLYOGOQMXAWIW-RLWLMLJZSA-N 1 1 424.548 5.520 50 0 HKAAMO Cc1cc(C)cc(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000012628818 558441100 /nfs/dbraw/zinc/44/11/00/558441100.db2.gz PHLYOGOQMXAWIW-LVXARBLLSA-N 1 1 424.548 5.520 50 0 HKAAMO COc1ccc(-c2nnc([C@H](C)[N@@H+]3CCCCC[C@H]3c3ccc(OC)cc3)o2)cc1 ZINC000012690464 568913959 /nfs/dbraw/zinc/91/39/59/568913959.db2.gz UMCNQFZUFPNORF-JTSKRJEESA-N 1 1 407.514 5.432 50 0 HKAAMO COc1ccccc1OC1CC[NH+](Cc2nc(-c3ccc(SC)cc3)oc2C)CC1 ZINC000012705663 558449854 /nfs/dbraw/zinc/44/98/54/558449854.db2.gz OVJMHCYZXRUEDP-UHFFFAOYSA-N 1 1 424.566 5.424 50 0 HKAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc2ccccc2c1 ZINC000012709615 558451667 /nfs/dbraw/zinc/45/16/67/558451667.db2.gz IDKIEVZLPDVTEG-NRFANRHFSA-N 1 1 404.529 5.006 50 0 HKAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1ccc2ccccc2c1 ZINC000012709620 558451569 /nfs/dbraw/zinc/45/15/69/558451569.db2.gz IDKIEVZLPDVTEG-OAQYLSRUSA-N 1 1 404.529 5.006 50 0 HKAAMO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c(C)c1C ZINC000012710241 568917615 /nfs/dbraw/zinc/91/76/15/568917615.db2.gz NMYKRTSCBSQBSN-SANMLTNESA-N 1 1 414.553 5.028 50 0 HKAAMO COc1ccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c(C)c1C ZINC000012710241 568917616 /nfs/dbraw/zinc/91/76/16/568917616.db2.gz NMYKRTSCBSQBSN-SANMLTNESA-N 1 1 414.553 5.028 50 0 HKAAMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2CCCn2cccn2)c(C)c1C ZINC000012710245 568917648 /nfs/dbraw/zinc/91/76/48/568917648.db2.gz NMYKRTSCBSQBSN-AREMUKBSSA-N 1 1 414.553 5.028 50 0 HKAAMO COc1ccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2CCCn2cccn2)c(C)c1C ZINC000012710245 568917649 /nfs/dbraw/zinc/91/76/49/568917649.db2.gz NMYKRTSCBSQBSN-AREMUKBSSA-N 1 1 414.553 5.028 50 0 HKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000012710291 558451871 /nfs/dbraw/zinc/45/18/71/558451871.db2.gz OPOKMHFYUFSBMU-UHFFFAOYSA-N 1 1 408.505 5.621 50 0 HKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000012710291 558451872 /nfs/dbraw/zinc/45/18/72/558451872.db2.gz OPOKMHFYUFSBMU-UHFFFAOYSA-N 1 1 408.505 5.621 50 0 HKAAMO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000012711796 558452905 /nfs/dbraw/zinc/45/29/05/558452905.db2.gz MKLNKFNSWBGKKB-LJQANCHMSA-N 1 1 410.562 5.150 50 0 HKAAMO CC1(C)Cc2c(cnn2-c2ccc(F)cc2)[C@@H]([NH2+]Cc2nc3c(s2)CCCC3)C1 ZINC000012711800 558452899 /nfs/dbraw/zinc/45/28/99/558452899.db2.gz MKLNKFNSWBGKKB-IBGZPJMESA-N 1 1 410.562 5.150 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc4ccccc43)c(C)o2)cc1OC ZINC000012712818 558453621 /nfs/dbraw/zinc/45/36/21/558453621.db2.gz RMPQYHUPUZGWHP-UHFFFAOYSA-N 1 1 402.494 5.452 50 0 HKAAMO CC[N@H+](Cc1cccc2cnccc21)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012714457 558454411 /nfs/dbraw/zinc/45/44/11/558454411.db2.gz HFQBUXBMUSGDIK-QFIPXVFZSA-N 1 1 405.561 5.151 50 0 HKAAMO CC[N@H+](Cc1cccc2cnccc21)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000012714459 558454333 /nfs/dbraw/zinc/45/43/33/558454333.db2.gz HFQBUXBMUSGDIK-JOCHJYFZSA-N 1 1 405.561 5.151 50 0 HKAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cccc(C(C)=O)c4)C3)ccc2c1 ZINC000012714497 558454379 /nfs/dbraw/zinc/45/43/79/558454379.db2.gz QEIJMOQLVGAFRD-XMMPIXPASA-N 1 1 401.506 5.146 50 0 HKAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cccc(C(C)=O)c4)C3)ccc2c1 ZINC000012714497 558454381 /nfs/dbraw/zinc/45/43/81/558454381.db2.gz QEIJMOQLVGAFRD-XMMPIXPASA-N 1 1 401.506 5.146 50 0 HKAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@H+](Cc4cccc(C(C)=O)c4)C3)ccc2c1 ZINC000012714501 558454314 /nfs/dbraw/zinc/45/43/14/558454314.db2.gz QEIJMOQLVGAFRD-DEOSSOPVSA-N 1 1 401.506 5.146 50 0 HKAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cccc(C(C)=O)c4)C3)ccc2c1 ZINC000012714501 558454316 /nfs/dbraw/zinc/45/43/16/558454316.db2.gz QEIJMOQLVGAFRD-DEOSSOPVSA-N 1 1 401.506 5.146 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000012714662 558454657 /nfs/dbraw/zinc/45/46/57/558454657.db2.gz WQSFMQJEVSVKDF-OAQYLSRUSA-N 1 1 418.512 5.352 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000012714668 558454582 /nfs/dbraw/zinc/45/45/82/558454582.db2.gz WQSFMQJEVSVKDF-NRFANRHFSA-N 1 1 418.512 5.352 50 0 HKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012718560 558456143 /nfs/dbraw/zinc/45/61/43/558456143.db2.gz QKMXJQPMGZOVBW-LJQANCHMSA-N 1 1 407.901 5.017 50 0 HKAAMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000012718561 558456265 /nfs/dbraw/zinc/45/62/65/558456265.db2.gz QKMXJQPMGZOVBW-IBGZPJMESA-N 1 1 407.901 5.017 50 0 HKAAMO O=C(c1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012745367 558458044 /nfs/dbraw/zinc/45/80/44/558458044.db2.gz BDMMTCFAKZZXIH-LJQANCHMSA-N 1 1 401.535 5.182 50 0 HKAAMO O=C(c1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012745371 558458123 /nfs/dbraw/zinc/45/81/23/558458123.db2.gz BDMMTCFAKZZXIH-IBGZPJMESA-N 1 1 401.535 5.182 50 0 HKAAMO COc1ccc(C[N@H+](C)Cc2nc(-c3ccc(SC)cc3)oc2C)c2cccnc12 ZINC000012746761 558458347 /nfs/dbraw/zinc/45/83/47/558458347.db2.gz QRJOAMDLPAMFLB-UHFFFAOYSA-N 1 1 419.550 5.561 50 0 HKAAMO COc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(SC)cc3)oc2C)c2cccnc12 ZINC000012746761 558458349 /nfs/dbraw/zinc/45/83/49/558458349.db2.gz QRJOAMDLPAMFLB-UHFFFAOYSA-N 1 1 419.550 5.561 50 0 HKAAMO CCOc1ccccc1-c1nc(C[NH+]2CCC([C@@H](O)c3cccs3)CC2)c(C)o1 ZINC000012750559 558458834 /nfs/dbraw/zinc/45/88/34/558458834.db2.gz UVFBRSFMKUPWPG-JOCHJYFZSA-N 1 1 412.555 5.056 50 0 HKAAMO CCOc1ccccc1-c1nc(C[NH+]2CCC([C@H](O)c3cccs3)CC2)c(C)o1 ZINC000012750564 558458788 /nfs/dbraw/zinc/45/87/88/558458788.db2.gz UVFBRSFMKUPWPG-QFIPXVFZSA-N 1 1 412.555 5.056 50 0 HKAAMO CCN(Cc1nc(C(C)C)cs1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012751979 558459360 /nfs/dbraw/zinc/45/93/60/558459360.db2.gz XZXGOJDAGWEMTA-NRFANRHFSA-N 1 1 415.647 5.052 50 0 HKAAMO CCN(Cc1nc(C(C)C)cs1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012751985 558459343 /nfs/dbraw/zinc/45/93/43/558459343.db2.gz XZXGOJDAGWEMTA-OAQYLSRUSA-N 1 1 415.647 5.052 50 0 HKAAMO COc1ccc(-c2nc(C[NH+]3CCC(Oc4ccccc4OC)CC3)c(C)o2)cc1C ZINC000012753486 558459582 /nfs/dbraw/zinc/45/95/82/558459582.db2.gz LQXALVTWFCLPKQ-UHFFFAOYSA-N 1 1 422.525 5.019 50 0 HKAAMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000012756183 568943037 /nfs/dbraw/zinc/94/30/37/568943037.db2.gz ZZAHZGJYRHTIDC-UHFFFAOYSA-N 1 1 414.505 5.302 50 0 HKAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC000012757642 558460370 /nfs/dbraw/zinc/46/03/70/558460370.db2.gz GRMDQSRIYWEOKJ-XMMPIXPASA-N 1 1 418.562 5.810 50 0 HKAAMO Cc1oc(-c2ccc3ccccc3c2)nc1C[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC000012757646 558460410 /nfs/dbraw/zinc/46/04/10/558460410.db2.gz GRMDQSRIYWEOKJ-DEOSSOPVSA-N 1 1 418.562 5.810 50 0 HKAAMO Cc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCCC4)cc3)cc(-c3ccccc3)c2c1 ZINC000012759395 568943820 /nfs/dbraw/zinc/94/38/20/568943820.db2.gz CHSMPIUZXLPBGT-UHFFFAOYSA-N 1 1 421.544 5.912 50 0 HKAAMO Cc1oc(-c2ccc(F)cc2F)nc1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000012763607 558461564 /nfs/dbraw/zinc/46/15/64/558461564.db2.gz IFEMUHQOIAMJEZ-UHFFFAOYSA-N 1 1 402.416 5.111 50 0 HKAAMO Cc1sc2[nH]c(C[NH2+][C@H](C)c3ccc(Cl)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012767330 568949288 /nfs/dbraw/zinc/94/92/88/568949288.db2.gz YNZJCBIJSPUQCQ-CQSZACIVSA-N 1 1 423.969 5.773 50 0 HKAAMO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3ccc(Cl)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012767333 568949246 /nfs/dbraw/zinc/94/92/46/568949246.db2.gz YNZJCBIJSPUQCQ-AWEZNQCLSA-N 1 1 423.969 5.773 50 0 HKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012767368 568949475 /nfs/dbraw/zinc/94/94/75/568949475.db2.gz BMOQOPILKKINJT-FQEVSTJZSA-N 1 1 406.448 5.270 50 0 HKAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2C(F)(F)F)cc1 ZINC000012767371 568949353 /nfs/dbraw/zinc/94/93/53/568949353.db2.gz BMOQOPILKKINJT-HXUWFJFHSA-N 1 1 406.448 5.270 50 0 HKAAMO COc1ccc(C(=O)C2CC[NH+](Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000012782008 568958261 /nfs/dbraw/zinc/95/82/61/568958261.db2.gz KXUAWUBZOQMRQC-UHFFFAOYSA-N 1 1 410.901 5.099 50 0 HKAAMO Cc1sc2[nH]c(C[NH2+][C@H](C)c3ccc(F)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012782633 568958451 /nfs/dbraw/zinc/95/84/51/568958451.db2.gz GLEACXFUSNJHJK-CQSZACIVSA-N 1 1 407.514 5.258 50 0 HKAAMO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3ccc(F)cc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012782639 568958344 /nfs/dbraw/zinc/95/83/44/568958344.db2.gz GLEACXFUSNJHJK-AWEZNQCLSA-N 1 1 407.514 5.258 50 0 HKAAMO CC(C)c1ccc(C[N@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012788062 558463837 /nfs/dbraw/zinc/46/38/37/558463837.db2.gz BLXAMKGCUSBCMK-HNNXBMFYSA-N 1 1 407.539 5.561 50 0 HKAAMO CC(C)c1ccc(C[N@@H+](C)[C@@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012788062 558463840 /nfs/dbraw/zinc/46/38/40/558463840.db2.gz BLXAMKGCUSBCMK-HNNXBMFYSA-N 1 1 407.539 5.561 50 0 HKAAMO CC(C)c1ccc(C[N@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012788065 558463885 /nfs/dbraw/zinc/46/38/85/558463885.db2.gz BLXAMKGCUSBCMK-OAHLLOKOSA-N 1 1 407.539 5.561 50 0 HKAAMO CC(C)c1ccc(C[N@@H+](C)[C@H](C)c2nc(=O)c3c(-c4ccco4)csc3[nH]2)cc1 ZINC000012788065 558463888 /nfs/dbraw/zinc/46/38/88/558463888.db2.gz BLXAMKGCUSBCMK-OAHLLOKOSA-N 1 1 407.539 5.561 50 0 HKAAMO C[C@@H]([NH2+][C@@H](C)c1ccco1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012819718 568991408 /nfs/dbraw/zinc/99/14/08/568991408.db2.gz YPCWSPVXXRAYII-JKSUJKDBSA-N 1 1 405.523 5.158 50 0 HKAAMO C[C@H]([NH2+][C@@H](C)c1ccco1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012819723 568991395 /nfs/dbraw/zinc/99/13/95/568991395.db2.gz YPCWSPVXXRAYII-HOTGVXAUSA-N 1 1 405.523 5.158 50 0 HKAAMO C[C@@H]([NH2+][C@H](C)c1ccco1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 ZINC000012819729 568991447 /nfs/dbraw/zinc/99/14/47/568991447.db2.gz YPCWSPVXXRAYII-HZPDHXFCSA-N 1 1 405.523 5.158 50 0 HKAAMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccco1 ZINC000012819734 568991355 /nfs/dbraw/zinc/99/13/55/568991355.db2.gz YPCWSPVXXRAYII-CVEARBPZSA-N 1 1 405.523 5.158 50 0 HKAAMO Cc1cccc(C(C)C)c1NC(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000012857291 569011222 /nfs/dbraw/zinc/01/12/22/569011222.db2.gz RZVWYOYBMNEBDB-UHFFFAOYSA-N 1 1 408.542 5.230 50 0 HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 ZINC000012864396 569404352 /nfs/dbraw/zinc/40/43/52/569404352.db2.gz JZPFBQTVTHEIAT-MWXBQQNOSA-N 1 1 418.666 5.327 50 0 biogenic HKAAMO CC1=C2C[C@@H]3[C@H](C[N@@H+]4CC=C(c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000012865231 569404332 /nfs/dbraw/zinc/40/43/32/569404332.db2.gz IZOZKBXFTWQRFR-MWXBQQNOSA-N 1 1 409.545 5.373 50 0 biogenic HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000012865636 569012103 /nfs/dbraw/zinc/01/21/03/569012103.db2.gz FGNDTNHMDIFKKW-BYVFKEDWSA-N 1 1 418.666 5.183 50 0 biogenic HKAAMO CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+]4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 ZINC000012881974 569404471 /nfs/dbraw/zinc/40/44/71/569404471.db2.gz XNUXTLWJUVVMKR-MWXBQQNOSA-N 1 1 423.984 5.663 50 0 biogenic HKAAMO C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012886316 569019558 /nfs/dbraw/zinc/01/95/58/569019558.db2.gz VJQKVNSUQIAWFT-AWEZNQCLSA-N 1 1 412.509 5.982 50 0 HKAAMO C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012886322 569019551 /nfs/dbraw/zinc/01/95/51/569019551.db2.gz VJQKVNSUQIAWFT-CQSZACIVSA-N 1 1 412.509 5.982 50 0 HKAAMO CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(Sc2n[nH]c(-c3ccccc3)n2)n1 ZINC000012895598 569020243 /nfs/dbraw/zinc/02/02/43/569020243.db2.gz CDNRJIDSVYNBQI-UHFFFAOYSA-N 1 1 424.599 5.086 50 0 HKAAMO C[C@@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012903598 569021030 /nfs/dbraw/zinc/02/10/30/569021030.db2.gz UAXHOTQDRMRMQZ-OAQYLSRUSA-N 1 1 413.565 5.066 50 0 HKAAMO C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 ZINC000012903605 569020993 /nfs/dbraw/zinc/02/09/93/569020993.db2.gz UAXHOTQDRMRMQZ-NRFANRHFSA-N 1 1 413.565 5.066 50 0 HKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl ZINC000012908987 569021650 /nfs/dbraw/zinc/02/16/50/569021650.db2.gz RIJHLKQSVQWDGT-LJQANCHMSA-N 1 1 409.313 5.512 50 0 HKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1cccc(Cl)c1Cl ZINC000012908992 569021688 /nfs/dbraw/zinc/02/16/88/569021688.db2.gz RIJHLKQSVQWDGT-IBGZPJMESA-N 1 1 409.313 5.512 50 0 HKAAMO Cc1cc(C)c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c(Cl)c1 ZINC000012910994 569021984 /nfs/dbraw/zinc/02/19/84/569021984.db2.gz GAAGHUVXMCOFGS-NRFANRHFSA-N 1 1 402.922 5.475 50 0 HKAAMO Cc1cc(C)c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c(Cl)c1 ZINC000012910998 569021962 /nfs/dbraw/zinc/02/19/62/569021962.db2.gz GAAGHUVXMCOFGS-OAQYLSRUSA-N 1 1 402.922 5.475 50 0 HKAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1c(Cl)cccc1Cl ZINC000012915600 569022536 /nfs/dbraw/zinc/02/25/36/569022536.db2.gz SMJTYGXJKGLDJQ-UHFFFAOYSA-N 1 1 421.324 5.105 50 0 HKAAMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012924314 569023551 /nfs/dbraw/zinc/02/35/51/569023551.db2.gz MEYOXCVZFFXVCT-OAHLLOKOSA-N 1 1 413.443 5.303 50 0 HKAAMO C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012924314 569023552 /nfs/dbraw/zinc/02/35/52/569023552.db2.gz MEYOXCVZFFXVCT-OAHLLOKOSA-N 1 1 413.443 5.303 50 0 HKAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012924319 569023510 /nfs/dbraw/zinc/02/35/10/569023510.db2.gz MEYOXCVZFFXVCT-HNNXBMFYSA-N 1 1 413.443 5.303 50 0 HKAAMO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000012924319 569023511 /nfs/dbraw/zinc/02/35/11/569023511.db2.gz MEYOXCVZFFXVCT-HNNXBMFYSA-N 1 1 413.443 5.303 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccccc1 ZINC000012932727 569025100 /nfs/dbraw/zinc/02/51/00/569025100.db2.gz CBSQTUYDDBIKQY-DCFHFQCYSA-N 1 1 424.544 6.187 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1ccccc1 ZINC000012932732 569025094 /nfs/dbraw/zinc/02/50/94/569025094.db2.gz CBSQTUYDDBIKQY-CCLHPLFOSA-N 1 1 424.544 6.187 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1)c1ccccc1 ZINC000012932739 569025096 /nfs/dbraw/zinc/02/50/96/569025096.db2.gz CBSQTUYDDBIKQY-HRFSGMKKSA-N 1 1 424.544 6.187 50 0 HKAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1)c1ccccc1 ZINC000012932748 569025105 /nfs/dbraw/zinc/02/51/05/569025105.db2.gz CBSQTUYDDBIKQY-NFQMXDRXSA-N 1 1 424.544 6.187 50 0 HKAAMO COc1ccc2cc(C[N@H+](C)CC(=O)Nc3c(Cl)cccc3Cl)ccc2c1 ZINC000012935860 569026697 /nfs/dbraw/zinc/02/66/97/569026697.db2.gz INWWUUFIZYCHOQ-UHFFFAOYSA-N 1 1 403.309 5.226 50 0 HKAAMO COc1ccc2cc(C[N@@H+](C)CC(=O)Nc3c(Cl)cccc3Cl)ccc2c1 ZINC000012935860 569026698 /nfs/dbraw/zinc/02/66/98/569026698.db2.gz INWWUUFIZYCHOQ-UHFFFAOYSA-N 1 1 403.309 5.226 50 0 HKAAMO COc1ccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2cccs2)c2ccccc2)cc1Cl ZINC000012974411 569041931 /nfs/dbraw/zinc/04/19/31/569041931.db2.gz CZNBVKLUCXWFJV-XOBRGWDASA-N 1 1 400.931 5.441 50 0 HKAAMO COc1ccc(NC(=O)[C@H]([NH2+][C@@H](C)c2cccs2)c2ccccc2)cc1Cl ZINC000012974413 569041974 /nfs/dbraw/zinc/04/19/74/569041974.db2.gz CZNBVKLUCXWFJV-VBKZILBWSA-N 1 1 400.931 5.441 50 0 HKAAMO COc1ccc(NC(=O)[C@@H]([NH2+][C@H](C)c2cccs2)c2ccccc2)cc1Cl ZINC000012974415 569042050 /nfs/dbraw/zinc/04/20/50/569042050.db2.gz CZNBVKLUCXWFJV-VLIAUNLRSA-N 1 1 400.931 5.441 50 0 HKAAMO COc1ccc(NC(=O)[C@H]([NH2+][C@H](C)c2cccs2)c2ccccc2)cc1Cl ZINC000012974416 569041993 /nfs/dbraw/zinc/04/19/93/569041993.db2.gz CZNBVKLUCXWFJV-JLTOFOAXSA-N 1 1 400.931 5.441 50 0 HKAAMO Cc1sc2[nH]c(C[N@@H+](C)[C@H](C)c3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012992445 558497122 /nfs/dbraw/zinc/49/71/22/558497122.db2.gz OGWMKWIZNVETIA-MRXNPFEDSA-N 1 1 403.551 5.461 50 0 HKAAMO Cc1sc2[nH]c(C[N@H+](C)[C@H](C)c3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012992445 558497124 /nfs/dbraw/zinc/49/71/24/558497124.db2.gz OGWMKWIZNVETIA-MRXNPFEDSA-N 1 1 403.551 5.461 50 0 HKAAMO Cc1sc2[nH]c(C[N@@H+](C)[C@@H](C)c3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012992448 558497099 /nfs/dbraw/zinc/49/70/99/558497099.db2.gz OGWMKWIZNVETIA-INIZCTEOSA-N 1 1 403.551 5.461 50 0 HKAAMO Cc1sc2[nH]c(C[N@H+](C)[C@@H](C)c3ccccc3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000012992448 558497100 /nfs/dbraw/zinc/49/71/00/558497100.db2.gz OGWMKWIZNVETIA-INIZCTEOSA-N 1 1 403.551 5.461 50 0 HKAAMO C[C@H](c1ccccc1)[N@H+](C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012997755 558499230 /nfs/dbraw/zinc/49/92/30/558499230.db2.gz YSICBWWJFYXXHP-CQSZACIVSA-N 1 1 409.942 5.498 50 0 HKAAMO C[C@H](c1ccccc1)[N@@H+](C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012997755 558499232 /nfs/dbraw/zinc/49/92/32/558499232.db2.gz YSICBWWJFYXXHP-CQSZACIVSA-N 1 1 409.942 5.498 50 0 HKAAMO C[C@@H](c1ccccc1)[N@H+](C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012997757 558499206 /nfs/dbraw/zinc/49/92/06/558499206.db2.gz YSICBWWJFYXXHP-AWEZNQCLSA-N 1 1 409.942 5.498 50 0 HKAAMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000012997757 558499209 /nfs/dbraw/zinc/49/92/09/558499209.db2.gz YSICBWWJFYXXHP-AWEZNQCLSA-N 1 1 409.942 5.498 50 0 HKAAMO Cc1cc(C)c(NC(=O)C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)c(Cl)c1 ZINC000012998996 558499664 /nfs/dbraw/zinc/49/96/64/558499664.db2.gz ACFCJVUKLBWJQM-UHFFFAOYSA-N 1 1 414.933 5.069 50 0 HKAAMO CCOc1ccc(C[N@H+](CC)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC ZINC000013010117 558502979 /nfs/dbraw/zinc/50/29/79/558502979.db2.gz QDTDMYHKMXOZSQ-UHFFFAOYSA-N 1 1 414.933 5.326 50 0 HKAAMO CCOc1ccc(C[N@@H+](CC)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC ZINC000013010117 558502980 /nfs/dbraw/zinc/50/29/80/558502980.db2.gz QDTDMYHKMXOZSQ-UHFFFAOYSA-N 1 1 414.933 5.326 50 0 HKAAMO CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@@H](C)c3ccccc3Cl)ccc21 ZINC000013039925 569407808 /nfs/dbraw/zinc/40/78/08/569407808.db2.gz CHHJFZCLBIJVLT-INIZCTEOSA-N 1 1 405.929 5.757 50 0 HKAAMO CCn1c2ccccc2c2cc(NC(=O)C[NH2+][C@H](C)c3ccccc3Cl)ccc21 ZINC000013039926 569407843 /nfs/dbraw/zinc/40/78/43/569407843.db2.gz CHHJFZCLBIJVLT-MRXNPFEDSA-N 1 1 405.929 5.757 50 0 HKAAMO Cc1nc2sc3c(c2c(NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1)CCCC3 ZINC000013040207 558506794 /nfs/dbraw/zinc/50/67/94/558506794.db2.gz YAURUUNITRHTPA-KRWDZBQOSA-N 1 1 400.979 5.247 50 0 HKAAMO Cc1nc2sc3c(c2c(NC[C@H](c2ccccc2Cl)[NH+](C)C)n1)CCCC3 ZINC000013040208 558506754 /nfs/dbraw/zinc/50/67/54/558506754.db2.gz YAURUUNITRHTPA-QGZVFWFLSA-N 1 1 400.979 5.247 50 0 HKAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1cccc2ccccc21)C1CCCCC1 ZINC000013041009 558506959 /nfs/dbraw/zinc/50/69/59/558506959.db2.gz RKZVHSQPNBNOLS-UHFFFAOYSA-N 1 1 401.554 5.655 50 0 HKAAMO C[C@@H]1CCN(C(=O)C[N@H+](C)C(c2ccccc2)c2ccccc2)c2ccccc2S1 ZINC000013041080 558507220 /nfs/dbraw/zinc/50/72/20/558507220.db2.gz VKYPBVJPOWPXTR-HXUWFJFHSA-N 1 1 416.590 5.625 50 0 HKAAMO C[C@@H]1CCN(C(=O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)c2ccccc2S1 ZINC000013041080 558507221 /nfs/dbraw/zinc/50/72/21/558507221.db2.gz VKYPBVJPOWPXTR-HXUWFJFHSA-N 1 1 416.590 5.625 50 0 HKAAMO C[C@H]1CCN(C(=O)C[N@H+](C)C(c2ccccc2)c2ccccc2)c2ccccc2S1 ZINC000013041081 558507241 /nfs/dbraw/zinc/50/72/41/558507241.db2.gz VKYPBVJPOWPXTR-FQEVSTJZSA-N 1 1 416.590 5.625 50 0 HKAAMO C[C@H]1CCN(C(=O)C[N@@H+](C)C(c2ccccc2)c2ccccc2)c2ccccc2S1 ZINC000013041081 558507244 /nfs/dbraw/zinc/50/72/44/558507244.db2.gz VKYPBVJPOWPXTR-FQEVSTJZSA-N 1 1 416.590 5.625 50 0 HKAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000013063588 560884767 /nfs/dbraw/zinc/88/47/67/560884767.db2.gz FKCDPOLRFRSRCW-NVXWUHKLSA-N 1 1 413.974 5.007 50 0 HKAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000013063588 560884768 /nfs/dbraw/zinc/88/47/68/560884768.db2.gz FKCDPOLRFRSRCW-NVXWUHKLSA-N 1 1 413.974 5.007 50 0 HKAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000013063589 560884770 /nfs/dbraw/zinc/88/47/70/560884770.db2.gz FKCDPOLRFRSRCW-DOTOQJQBSA-N 1 1 413.974 5.007 50 0 HKAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000013063589 560884771 /nfs/dbraw/zinc/88/47/71/560884771.db2.gz FKCDPOLRFRSRCW-DOTOQJQBSA-N 1 1 413.974 5.007 50 0 HKAAMO O=C(Nc1cccc(Br)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013108074 558514694 /nfs/dbraw/zinc/51/46/94/558514694.db2.gz ITNTXIROJIKNAX-UHFFFAOYSA-N 1 1 421.338 5.260 50 0 HKAAMO CCC[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000013148520 558523334 /nfs/dbraw/zinc/52/33/34/558523334.db2.gz HYMPGDWOKWJSBN-XMMPIXPASA-N 1 1 411.630 6.052 50 0 HKAAMO CCC[N@H+](Cc1ccccc1)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000013148521 558523426 /nfs/dbraw/zinc/52/34/26/558523426.db2.gz HYMPGDWOKWJSBN-DEOSSOPVSA-N 1 1 411.630 6.052 50 0 HKAAMO Cc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000013320343 569254838 /nfs/dbraw/zinc/25/48/38/569254838.db2.gz WCYCUMOKVBWSKL-UHFFFAOYSA-N 1 1 411.855 5.017 50 0 HKAAMO Cc1cccc(C[NH+]2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 ZINC000013320465 569254789 /nfs/dbraw/zinc/25/47/89/569254789.db2.gz TVDRMPLYEQBPRA-UHFFFAOYSA-N 1 1 411.855 5.017 50 0 HKAAMO Cc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000013320509 569254822 /nfs/dbraw/zinc/25/48/22/569254822.db2.gz PFYHPVVOWKGMEO-UHFFFAOYSA-N 1 1 411.855 5.017 50 0 HKAAMO COc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000013396436 569413312 /nfs/dbraw/zinc/41/33/12/569413312.db2.gz LSZXSJRLEMPHQV-VXKWHMMOSA-N 1 1 411.973 5.924 50 0 HKAAMO COc1ccc([C@H]2C[N@@H+](C)C[C@@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl ZINC000013396439 569413336 /nfs/dbraw/zinc/41/33/36/569413336.db2.gz LSZXSJRLEMPHQV-YADHBBJMSA-N 1 1 411.973 5.924 50 0 HKAAMO Cc1ccc(C(=O)[C@H]2[C@H](c3cccs3)[N@@H+](C)C[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013399237 569413293 /nfs/dbraw/zinc/41/32/93/569413293.db2.gz XNDXEIYARWEMSV-MZYLBHOOSA-N 1 1 403.547 5.350 50 0 HKAAMO Cc1ccc(C(=O)[C@H]2C[N@H+](C)[C@@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000013399243 558531514 /nfs/dbraw/zinc/53/15/14/558531514.db2.gz XNDXEIYARWEMSV-WWNPGLIZSA-N 1 1 403.547 5.350 50 0 HKAAMO C[C@@H]1C[N@H+](C)[C@@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000013565399 558843773 /nfs/dbraw/zinc/84/37/73/558843773.db2.gz NATIKTRDTUWVJS-OLZOCXBDSA-N 1 1 407.495 5.512 50 0 HKAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000013565399 558843775 /nfs/dbraw/zinc/84/37/75/558843775.db2.gz NATIKTRDTUWVJS-OLZOCXBDSA-N 1 1 407.495 5.512 50 0 HKAAMO C[C@H]1C[N@H+](C)[C@@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000013565400 558843796 /nfs/dbraw/zinc/84/37/96/558843796.db2.gz NATIKTRDTUWVJS-STQMWFEESA-N 1 1 407.495 5.512 50 0 HKAAMO C[C@H]1C[N@@H+](C)[C@@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000013565400 558843799 /nfs/dbraw/zinc/84/37/99/558843799.db2.gz NATIKTRDTUWVJS-STQMWFEESA-N 1 1 407.495 5.512 50 0 HKAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000013593391 558546352 /nfs/dbraw/zinc/54/63/52/558546352.db2.gz LRMNRVWEHOCALO-OAQYLSRUSA-N 1 1 415.537 5.203 50 0 HKAAMO COC[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)C1 ZINC000013593394 558546422 /nfs/dbraw/zinc/54/64/22/558546422.db2.gz LRMNRVWEHOCALO-NRFANRHFSA-N 1 1 415.537 5.203 50 0 HKAAMO O=C(Nc1ccc(Br)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000013614656 558549438 /nfs/dbraw/zinc/54/94/38/558549438.db2.gz MFESPQYOEIZYDF-UHFFFAOYSA-N 1 1 421.338 5.260 50 0 HKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=S)Nc1ccc(Cl)cc1Cl ZINC000013686878 558570156 /nfs/dbraw/zinc/57/01/56/558570156.db2.gz SECHNLXDFGYFOW-HNAYVOBHSA-N 1 1 406.382 5.307 50 0 HKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000013759374 558590967 /nfs/dbraw/zinc/59/09/67/558590967.db2.gz WHZYEDGTWVFQTK-TUACAJSNSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)c(OC)c1 ZINC000013759377 558591027 /nfs/dbraw/zinc/59/10/27/558591027.db2.gz WHZYEDGTWVFQTK-AGILITTLSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1OC ZINC000013770213 558591720 /nfs/dbraw/zinc/59/17/20/558591720.db2.gz SCUTXQRXFFYAIA-WUMKDDEVSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)cc1OC ZINC000013770217 558591744 /nfs/dbraw/zinc/59/17/44/558591744.db2.gz SCUTXQRXFFYAIA-CTUHWIOQSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)c1 ZINC000013778148 558592827 /nfs/dbraw/zinc/59/28/27/558592827.db2.gz GLHGQZPOQWRWTJ-TUACAJSNSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2Cc2ccccc2Cl)c1 ZINC000013778150 558592934 /nfs/dbraw/zinc/59/29/34/558592934.db2.gz GLHGQZPOQWRWTJ-AGILITTLSA-N 1 1 415.961 5.226 50 0 HKAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+]2CCC[C@@H]2c2cccn2C)cc1Cl ZINC000013987975 558610817 /nfs/dbraw/zinc/61/08/17/558610817.db2.gz DQANOALZNZNFCP-FYYLOGMGSA-N 1 1 423.944 5.204 50 0 HKAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+]2CCC[C@@H]2c2cccn2C)cc1Cl ZINC000013987975 558610819 /nfs/dbraw/zinc/61/08/19/558610819.db2.gz DQANOALZNZNFCP-FYYLOGMGSA-N 1 1 423.944 5.204 50 0 HKAAMO Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C1CC1)C(c1ccc(F)cc1)=[NH+]2 ZINC000014017537 558613734 /nfs/dbraw/zinc/61/37/34/558613734.db2.gz GFJKYTOTUNFCFO-VWLOTQADSA-N 1 1 422.507 5.966 50 0 HKAAMO Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C1CC1)C(c1ccc(F)cc1)=[NH+]2 ZINC000014017540 558613741 /nfs/dbraw/zinc/61/37/41/558613741.db2.gz GFJKYTOTUNFCFO-RUZDIDTESA-N 1 1 422.507 5.966 50 0 HKAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000014075428 559148899 /nfs/dbraw/zinc/14/88/99/559148899.db2.gz RAHRZHHUSUJOLR-SJLPKXTDSA-N 1 1 419.550 5.099 50 0 HKAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000014075428 559148900 /nfs/dbraw/zinc/14/89/00/559148900.db2.gz RAHRZHHUSUJOLR-SJLPKXTDSA-N 1 1 419.550 5.099 50 0 HKAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000014075430 559148493 /nfs/dbraw/zinc/14/84/93/559148493.db2.gz RAHRZHHUSUJOLR-FUHWJXTLSA-N 1 1 419.550 5.099 50 0 HKAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 ZINC000014075430 559148495 /nfs/dbraw/zinc/14/84/95/559148495.db2.gz RAHRZHHUSUJOLR-FUHWJXTLSA-N 1 1 419.550 5.099 50 0 HKAAMO O=c1nc(C[NH2+]C(c2ccccc2)c2ccccc2)[nH]c2scc(-c3ccccc3)c21 ZINC000014093077 558619195 /nfs/dbraw/zinc/61/91/95/558619195.db2.gz QGMFLRQGCSVCPL-UHFFFAOYSA-N 1 1 423.541 5.531 50 0 HKAAMO Cc1nc(-c2ccc(C[NH2+][C@@H](C(=O)N3CCCCC3)c3ccccc3)s2)cs1 ZINC000014110474 558620730 /nfs/dbraw/zinc/62/07/30/558620730.db2.gz RYTDSQBRFJEKGK-OAQYLSRUSA-N 1 1 411.596 5.023 50 0 HKAAMO Cc1nc(-c2ccc(C[NH2+][C@H](C(=O)N3CCCCC3)c3ccccc3)s2)cs1 ZINC000014110477 558620774 /nfs/dbraw/zinc/62/07/74/558620774.db2.gz RYTDSQBRFJEKGK-NRFANRHFSA-N 1 1 411.596 5.023 50 0 HKAAMO Cc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)[NH+]3CCC(C)CC3)n2)cc1 ZINC000014129689 558623888 /nfs/dbraw/zinc/62/38/88/558623888.db2.gz RKIJUGAZATYPGW-JOCHJYFZSA-N 1 1 405.567 5.530 50 0 HKAAMO Cc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)[NH+]3CCC(C)CC3)n2)cc1 ZINC000014129690 558623924 /nfs/dbraw/zinc/62/39/24/558623924.db2.gz RKIJUGAZATYPGW-QFIPXVFZSA-N 1 1 405.567 5.530 50 0 HKAAMO COc1ccc(C(=O)C2CC[NH+](Cc3nc4ccccc4c(C)c3Cl)CC2)cc1 ZINC000014326271 569259421 /nfs/dbraw/zinc/25/94/21/569259421.db2.gz ZJBYZOQRLKZUQI-UHFFFAOYSA-N 1 1 408.929 5.300 50 0 HKAAMO COc1ccc2cc(C[N@@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(Cl)nc2c1 ZINC000014672857 558663131 /nfs/dbraw/zinc/66/31/31/558663131.db2.gz INZDRZBQZRIKIF-HXUWFJFHSA-N 1 1 410.901 5.005 50 0 HKAAMO COc1ccc2cc(C[N@H+]3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(Cl)nc2c1 ZINC000014672857 558663133 /nfs/dbraw/zinc/66/31/33/558663133.db2.gz INZDRZBQZRIKIF-HXUWFJFHSA-N 1 1 410.901 5.005 50 0 HKAAMO COc1ccc2cc(C[N@@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)c(Cl)nc2c1 ZINC000014672858 558663074 /nfs/dbraw/zinc/66/30/74/558663074.db2.gz INZDRZBQZRIKIF-FQEVSTJZSA-N 1 1 410.901 5.005 50 0 HKAAMO COc1ccc2cc(C[N@H+]3CCC[C@H]3c3ccc4c(c3)OCCO4)c(Cl)nc2c1 ZINC000014672858 558663075 /nfs/dbraw/zinc/66/30/75/558663075.db2.gz INZDRZBQZRIKIF-FQEVSTJZSA-N 1 1 410.901 5.005 50 0 HKAAMO COc1ccc2cc(C[N@@H+]3CCC[C@H]3c3cc(OC)ccc3OC)c(Cl)nc2c1 ZINC000014672880 559172026 /nfs/dbraw/zinc/17/20/26/559172026.db2.gz PUHDXFXVFFVIDC-NRFANRHFSA-N 1 1 412.917 5.251 50 0 HKAAMO COc1ccc2cc(C[N@H+]3CCC[C@H]3c3cc(OC)ccc3OC)c(Cl)nc2c1 ZINC000014672880 559172028 /nfs/dbraw/zinc/17/20/28/559172028.db2.gz PUHDXFXVFFVIDC-NRFANRHFSA-N 1 1 412.917 5.251 50 0 HKAAMO COc1ccc2cc(C[N@@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)c(Cl)nc2c1 ZINC000014672881 559172063 /nfs/dbraw/zinc/17/20/63/559172063.db2.gz PUHDXFXVFFVIDC-OAQYLSRUSA-N 1 1 412.917 5.251 50 0 HKAAMO COc1ccc2cc(C[N@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)c(Cl)nc2c1 ZINC000014672881 559172064 /nfs/dbraw/zinc/17/20/64/559172064.db2.gz PUHDXFXVFFVIDC-OAQYLSRUSA-N 1 1 412.917 5.251 50 0 HKAAMO COc1ccc(NC(=O)C[N@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1Cl ZINC000014814240 558674037 /nfs/dbraw/zinc/67/40/37/558674037.db2.gz WMQJACZXTBPEAH-QHCPKHFHSA-N 1 1 412.892 5.148 50 0 HKAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1Cl ZINC000014814240 558674038 /nfs/dbraw/zinc/67/40/38/558674038.db2.gz WMQJACZXTBPEAH-QHCPKHFHSA-N 1 1 412.892 5.148 50 0 HKAAMO COc1ccc(NC(=O)C[N@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1Cl ZINC000014814242 558674151 /nfs/dbraw/zinc/67/41/51/558674151.db2.gz WMQJACZXTBPEAH-HSZRJFAPSA-N 1 1 412.892 5.148 50 0 HKAAMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1Cl ZINC000014814242 558674155 /nfs/dbraw/zinc/67/41/55/558674155.db2.gz WMQJACZXTBPEAH-HSZRJFAPSA-N 1 1 412.892 5.148 50 0 HKAAMO O=C(NCCC1=CCCCC1)[C@H]1CC12CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC000014884938 558677087 /nfs/dbraw/zinc/67/70/87/558677087.db2.gz GIKRMFPQXXEBGC-LJQANCHMSA-N 1 1 404.957 5.088 50 0 HKAAMO O=C(NCCC1=CCCCC1)[C@@H]1CC12CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC000014884940 558677237 /nfs/dbraw/zinc/67/72/37/558677237.db2.gz GIKRMFPQXXEBGC-IBGZPJMESA-N 1 1 404.957 5.088 50 0 HKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000014949405 558680488 /nfs/dbraw/zinc/68/04/88/558680488.db2.gz YOSPKNRGUJUSOO-HXUWFJFHSA-N 1 1 423.516 6.324 50 0 HKAAMO Cc1oc(-c2cccc3ccccc32)nc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000014949407 558680536 /nfs/dbraw/zinc/68/05/36/558680536.db2.gz YOSPKNRGUJUSOO-FQEVSTJZSA-N 1 1 423.516 6.324 50 0 HKAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)Cc2ccsc2)cc1 ZINC000014953801 558681776 /nfs/dbraw/zinc/68/17/76/558681776.db2.gz YPWBVLBNSYSBJW-UHFFFAOYSA-N 1 1 407.514 5.381 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1)Nc1ccccc1F ZINC000014954186 558681802 /nfs/dbraw/zinc/68/18/02/558681802.db2.gz OAZHMMFEGYLJFE-INIZCTEOSA-N 1 1 406.448 5.058 50 0 HKAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1)Nc1ccccc1F ZINC000014954190 558681611 /nfs/dbraw/zinc/68/16/11/558681611.db2.gz OAZHMMFEGYLJFE-MRXNPFEDSA-N 1 1 406.448 5.058 50 0 HKAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4c(C)nn(C(C)C)c4C)C3)ccc2c1 ZINC000014954575 558681888 /nfs/dbraw/zinc/68/18/88/558681888.db2.gz VSEUWCKCOKGWFP-HSZRJFAPSA-N 1 1 419.569 5.338 50 0 HKAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4c(C)nn(C(C)C)c4C)C3)ccc2c1 ZINC000014954579 558681950 /nfs/dbraw/zinc/68/19/50/558681950.db2.gz VSEUWCKCOKGWFP-QHCPKHFHSA-N 1 1 419.569 5.338 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4ccccc4C)C3)c(C)o2)cc1OC ZINC000014954598 558681971 /nfs/dbraw/zinc/68/19/71/558681971.db2.gz BYBHKQVRAXOEDJ-HXUWFJFHSA-N 1 1 406.526 5.355 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4ccccc4C)C3)c(C)o2)cc1OC ZINC000014954602 558681990 /nfs/dbraw/zinc/68/19/90/558681990.db2.gz BYBHKQVRAXOEDJ-FQEVSTJZSA-N 1 1 406.526 5.355 50 0 HKAAMO CSc1ccc(-c2nc(C[NH+]3CCC(Oc4ccccc4F)CC3)c(C)o2)cc1 ZINC000014954702 558681920 /nfs/dbraw/zinc/68/19/20/558681920.db2.gz HSRYELMEKNYAMK-UHFFFAOYSA-N 1 1 412.530 5.554 50 0 HKAAMO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@@H]2c2cccc(OC)c2)c(C)o1 ZINC000014961694 558684368 /nfs/dbraw/zinc/68/43/68/558684368.db2.gz HKBXEVAXXSCDHU-HSZRJFAPSA-N 1 1 406.526 5.785 50 0 HKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCCC[C@@H]2c2cccc(OC)c2)c(C)o1 ZINC000014961694 558684370 /nfs/dbraw/zinc/68/43/70/558684370.db2.gz HKBXEVAXXSCDHU-HSZRJFAPSA-N 1 1 406.526 5.785 50 0 HKAAMO CCOc1ccccc1-c1nc(C[N@@H+]2CCCC[C@H]2c2cccc(OC)c2)c(C)o1 ZINC000014961698 558684404 /nfs/dbraw/zinc/68/44/04/558684404.db2.gz HKBXEVAXXSCDHU-QHCPKHFHSA-N 1 1 406.526 5.785 50 0 HKAAMO CCOc1ccccc1-c1nc(C[N@H+]2CCCC[C@H]2c2cccc(OC)c2)c(C)o1 ZINC000014961698 558684406 /nfs/dbraw/zinc/68/44/06/558684406.db2.gz HKBXEVAXXSCDHU-QHCPKHFHSA-N 1 1 406.526 5.785 50 0 HKAAMO CCOc1ccc(-c2nc(C[NH+]3CCC([C@@H](O)c4cccs4)CC3)c(C)o2)cc1 ZINC000014963424 558684793 /nfs/dbraw/zinc/68/47/93/558684793.db2.gz OQIDMORKFLXVPP-JOCHJYFZSA-N 1 1 412.555 5.056 50 0 HKAAMO CCOc1ccc(-c2nc(C[NH+]3CCC([C@H](O)c4cccs4)CC3)c(C)o2)cc1 ZINC000014963428 558684774 /nfs/dbraw/zinc/68/47/74/558684774.db2.gz OQIDMORKFLXVPP-QFIPXVFZSA-N 1 1 412.555 5.056 50 0 HKAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3c4ccccc4sc32)C1)c1ccco1 ZINC000014966504 568488394 /nfs/dbraw/zinc/48/83/94/568488394.db2.gz YDFYGRYHQSNITC-KRWDZBQOSA-N 1 1 404.535 5.290 50 0 HKAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3c4ccccc4sc32)C1)c1ccco1 ZINC000014966509 568488234 /nfs/dbraw/zinc/48/82/34/568488234.db2.gz YDFYGRYHQSNITC-QGZVFWFLSA-N 1 1 404.535 5.290 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)cc1 ZINC000014970980 558687386 /nfs/dbraw/zinc/68/73/86/558687386.db2.gz PSHYABPKAJDXHL-HXUWFJFHSA-N 1 1 406.551 5.274 50 0 HKAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccsc3)C2)cc1 ZINC000014970984 558687368 /nfs/dbraw/zinc/68/73/68/558687368.db2.gz PSHYABPKAJDXHL-FQEVSTJZSA-N 1 1 406.551 5.274 50 0 HKAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)Nc1ccc(F)cc1F ZINC000014973781 558688491 /nfs/dbraw/zinc/68/84/91/558688491.db2.gz NDPZYTASIISHLO-KRWDZBQOSA-N 1 1 421.919 5.037 50 0 HKAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)Nc1ccc(F)cc1F ZINC000014973786 558688478 /nfs/dbraw/zinc/68/84/78/558688478.db2.gz NDPZYTASIISHLO-QGZVFWFLSA-N 1 1 421.919 5.037 50 0 HKAAMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccc(F)c3)c(C)o2)c1 ZINC000014973827 558688384 /nfs/dbraw/zinc/68/83/84/558688384.db2.gz PDHHEDDQIMLSJN-JOCHJYFZSA-N 1 1 410.489 5.534 50 0 HKAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccc(F)c3)c(C)o2)c1 ZINC000014973827 558688385 /nfs/dbraw/zinc/68/83/85/558688385.db2.gz PDHHEDDQIMLSJN-JOCHJYFZSA-N 1 1 410.489 5.534 50 0 HKAAMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCCC[C@H]3c3cccc(F)c3)c(C)o2)c1 ZINC000014973831 558688306 /nfs/dbraw/zinc/68/83/06/558688306.db2.gz PDHHEDDQIMLSJN-QFIPXVFZSA-N 1 1 410.489 5.534 50 0 HKAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCCC[C@H]3c3cccc(F)c3)c(C)o2)c1 ZINC000014973831 558688308 /nfs/dbraw/zinc/68/83/08/558688308.db2.gz PDHHEDDQIMLSJN-QFIPXVFZSA-N 1 1 410.489 5.534 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4ccccc4Cl)C3)c(C)o2)cc1OC ZINC000014977090 558689780 /nfs/dbraw/zinc/68/97/80/558689780.db2.gz GVEGCEJZIMMYGS-QGZVFWFLSA-N 1 1 412.917 5.310 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CC[C@H](c4ccccc4Cl)C3)c(C)o2)cc1OC ZINC000014977093 558689791 /nfs/dbraw/zinc/68/97/91/558689791.db2.gz GVEGCEJZIMMYGS-KRWDZBQOSA-N 1 1 412.917 5.310 50 0 HKAAMO O=C(CC1=CCCCC1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000014980185 558690772 /nfs/dbraw/zinc/69/07/72/558690772.db2.gz ZNRWZCTZZQNZNA-XMMPIXPASA-N 1 1 409.618 5.345 50 0 HKAAMO O=C(CC1=CCCCC1)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000014980189 558690960 /nfs/dbraw/zinc/69/09/60/558690960.db2.gz ZNRWZCTZZQNZNA-DEOSSOPVSA-N 1 1 409.618 5.345 50 0 HKAAMO Cc1nc([C@@H](C)[NH2+]Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)cs1 ZINC000014980896 558691365 /nfs/dbraw/zinc/69/13/65/558691365.db2.gz IRKNIELSBKWCHL-GOSISDBHSA-N 1 1 402.567 5.772 50 0 HKAAMO Cc1nc([C@H](C)[NH2+]Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)cs1 ZINC000014980898 558691311 /nfs/dbraw/zinc/69/13/11/558691311.db2.gz IRKNIELSBKWCHL-SFHVURJKSA-N 1 1 402.567 5.772 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(C)c1C ZINC000014981228 558691670 /nfs/dbraw/zinc/69/16/70/558691670.db2.gz XLXMJFCYJMWNRK-KRWDZBQOSA-N 1 1 422.525 5.240 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(C)c1C ZINC000014981228 558691672 /nfs/dbraw/zinc/69/16/72/558691672.db2.gz XLXMJFCYJMWNRK-KRWDZBQOSA-N 1 1 422.525 5.240 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(C)c1C ZINC000014981230 558691697 /nfs/dbraw/zinc/69/16/97/558691697.db2.gz XLXMJFCYJMWNRK-QGZVFWFLSA-N 1 1 422.525 5.240 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@H](C)c3ccc4c(c3)OCCO4)c(C)o2)c(C)c1C ZINC000014981230 558691701 /nfs/dbraw/zinc/69/17/01/558691701.db2.gz XLXMJFCYJMWNRK-QGZVFWFLSA-N 1 1 422.525 5.240 50 0 HKAAMO O=C(c1ccc(-c2ccco2)cc1)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014989200 558693720 /nfs/dbraw/zinc/69/37/20/558693720.db2.gz DFVDCYAFHGBOPU-RPBOFIJWSA-N 1 1 414.549 5.116 50 0 HKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(C)cc2)C3)c1OC ZINC000014990858 568718500 /nfs/dbraw/zinc/71/85/00/568718500.db2.gz CGKYTYKTWGVWMO-UHFFFAOYSA-N 1 1 419.521 5.082 50 0 HKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(C)cc2)C3)c1OC ZINC000014990858 568718504 /nfs/dbraw/zinc/71/85/04/568718504.db2.gz CGKYTYKTWGVWMO-UHFFFAOYSA-N 1 1 419.521 5.082 50 0 HKAAMO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@H+](Cc1ccc(O)cc1)C2 ZINC000014991100 558694358 /nfs/dbraw/zinc/69/43/58/558694358.db2.gz ROIFTKIYYITHEG-UHFFFAOYSA-N 1 1 407.535 5.184 50 0 HKAAMO COc1cc(-c2ccc(SC)cc2)cc2c1OCC[N@@H+](Cc1ccc(O)cc1)C2 ZINC000014991100 558694360 /nfs/dbraw/zinc/69/43/60/558694360.db2.gz ROIFTKIYYITHEG-UHFFFAOYSA-N 1 1 407.535 5.184 50 0 HKAAMO COc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c2ccccc12 ZINC000014991190 558694527 /nfs/dbraw/zinc/69/45/27/558694527.db2.gz OTCTWRMUXSTWCO-UHFFFAOYSA-N 1 1 417.530 5.677 50 0 HKAAMO COc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccs4)cc3C2)c2ccccc12 ZINC000014991190 558694530 /nfs/dbraw/zinc/69/45/30/558694530.db2.gz OTCTWRMUXSTWCO-UHFFFAOYSA-N 1 1 417.530 5.677 50 0 HKAAMO Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000014991985 558694847 /nfs/dbraw/zinc/69/48/47/558694847.db2.gz ZGXUZZKZDCEZCU-IRLDBZIGSA-N 1 1 416.487 5.027 50 0 HKAAMO C[N@@H+](Cc1cc(-c2ccccc2)on1)[C@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000014992218 558694821 /nfs/dbraw/zinc/69/48/21/558694821.db2.gz IVYHEHSYOAPRDM-QFIPXVFZSA-N 1 1 423.944 5.008 50 0 HKAAMO C[N@@H+](Cc1cc(-c2ccccc2)on1)[C@@H]1CCC(=O)N(Cc2cccc(Cl)c2)CC1 ZINC000014992221 558694781 /nfs/dbraw/zinc/69/47/81/558694781.db2.gz IVYHEHSYOAPRDM-JOCHJYFZSA-N 1 1 423.944 5.008 50 0 HKAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1OC ZINC000014995220 558695746 /nfs/dbraw/zinc/69/57/46/558695746.db2.gz LYNDZWSFSIWDML-GOSISDBHSA-N 1 1 411.933 5.127 50 0 HKAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1OC ZINC000014995222 558695889 /nfs/dbraw/zinc/69/58/89/558695889.db2.gz LYNDZWSFSIWDML-SFHVURJKSA-N 1 1 411.933 5.127 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)c(C)c1C ZINC000015062430 558705230 /nfs/dbraw/zinc/70/52/30/558705230.db2.gz IPUWCBRRBBNWTQ-JOCHJYFZSA-N 1 1 406.526 5.621 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)c(C)c1C ZINC000015062430 558705233 /nfs/dbraw/zinc/70/52/33/558705233.db2.gz IPUWCBRRBBNWTQ-JOCHJYFZSA-N 1 1 406.526 5.621 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccccc3OC)c(C)o2)c(C)c1C ZINC000015062432 558705370 /nfs/dbraw/zinc/70/53/70/558705370.db2.gz IPUWCBRRBBNWTQ-QFIPXVFZSA-N 1 1 406.526 5.621 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccccc3OC)c(C)o2)c(C)c1C ZINC000015062432 558705373 /nfs/dbraw/zinc/70/53/73/558705373.db2.gz IPUWCBRRBBNWTQ-QFIPXVFZSA-N 1 1 406.526 5.621 50 0 HKAAMO Cn1cc(C[N@H+]2CCCC[C@@H]2CCCO)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000015063056 558705691 /nfs/dbraw/zinc/70/56/91/558705691.db2.gz VFMINYFDUZNYAN-JOCHJYFZSA-N 1 1 405.542 5.006 50 0 HKAAMO Cn1cc(C[N@H+]2CCCC[C@H]2CCCO)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000015063058 558705630 /nfs/dbraw/zinc/70/56/30/558705630.db2.gz VFMINYFDUZNYAN-QFIPXVFZSA-N 1 1 405.542 5.006 50 0 HKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)c(C)c1 ZINC000015063438 558706165 /nfs/dbraw/zinc/70/61/65/558706165.db2.gz KFZFWBMZRBICPA-INIZCTEOSA-N 1 1 406.979 5.349 50 0 HKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)c(C)c1 ZINC000015063439 558706103 /nfs/dbraw/zinc/70/61/03/558706103.db2.gz KFZFWBMZRBICPA-MRXNPFEDSA-N 1 1 406.979 5.349 50 0 HKAAMO Cc1oc(-c2cccc(F)c2F)nc1C[NH+]1CCC(Oc2ccccc2F)CC1 ZINC000015063506 558706161 /nfs/dbraw/zinc/70/61/61/558706161.db2.gz DBDICLVUQWXGEZ-UHFFFAOYSA-N 1 1 402.416 5.111 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)c(OC)c1C ZINC000015064178 558706926 /nfs/dbraw/zinc/70/69/26/558706926.db2.gz RMTGDHYBXPQZBS-OAQYLSRUSA-N 1 1 422.525 5.321 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccccc3OC)c(C)o2)c(OC)c1C ZINC000015064178 558706929 /nfs/dbraw/zinc/70/69/29/558706929.db2.gz RMTGDHYBXPQZBS-OAQYLSRUSA-N 1 1 422.525 5.321 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccccc3OC)c(C)o2)c(OC)c1C ZINC000015064179 558707017 /nfs/dbraw/zinc/70/70/17/558707017.db2.gz RMTGDHYBXPQZBS-NRFANRHFSA-N 1 1 422.525 5.321 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccccc3OC)c(C)o2)c(OC)c1C ZINC000015064179 558707020 /nfs/dbraw/zinc/70/70/20/558707020.db2.gz RMTGDHYBXPQZBS-NRFANRHFSA-N 1 1 422.525 5.321 50 0 HKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c(C)c1 ZINC000015065274 558708369 /nfs/dbraw/zinc/70/83/69/558708369.db2.gz VHTXMHGPTHODFX-IBGZPJMESA-N 1 1 406.526 5.381 50 0 HKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c(C)c1 ZINC000015065275 558708415 /nfs/dbraw/zinc/70/84/15/558708415.db2.gz VHTXMHGPTHODFX-LJQANCHMSA-N 1 1 406.526 5.381 50 0 HKAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)CC1CCOCC1 ZINC000015067734 558710440 /nfs/dbraw/zinc/71/04/40/558710440.db2.gz BXONTWVDJDGKAT-UHFFFAOYSA-N 1 1 415.537 5.203 50 0 HKAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3ccc(Cl)cc3)nc2)cnn1-c1cccc(F)c1 ZINC000015068902 558711372 /nfs/dbraw/zinc/71/13/72/558711372.db2.gz PPSFUCVAQPJRDD-OAHLLOKOSA-N 1 1 421.907 5.281 50 0 HKAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3ccc(Cl)cc3)nc2)cnn1-c1cccc(F)c1 ZINC000015068904 558711385 /nfs/dbraw/zinc/71/13/85/558711385.db2.gz PPSFUCVAQPJRDD-HNNXBMFYSA-N 1 1 421.907 5.281 50 0 HKAAMO Fc1cc(F)cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000015073065 558713988 /nfs/dbraw/zinc/71/39/88/558713988.db2.gz LGCPGTIGHOXRTM-NRFANRHFSA-N 1 1 413.556 5.407 50 0 HKAAMO Fc1cc(F)cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000015073067 558713913 /nfs/dbraw/zinc/71/39/13/558713913.db2.gz LGCPGTIGHOXRTM-OAQYLSRUSA-N 1 1 413.556 5.407 50 0 HKAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2cccnc2)cc1F ZINC000015074028 558714728 /nfs/dbraw/zinc/71/47/28/558714728.db2.gz MOAJHBHDCXRFKR-UHFFFAOYSA-N 1 1 416.500 5.022 50 0 HKAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2cccnc2)cc1F ZINC000015074028 558714731 /nfs/dbraw/zinc/71/47/31/558714731.db2.gz MOAJHBHDCXRFKR-UHFFFAOYSA-N 1 1 416.500 5.022 50 0 HKAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000015074208 568749380 /nfs/dbraw/zinc/74/93/80/568749380.db2.gz KUFZFHSGGGFUBB-IBGZPJMESA-N 1 1 405.517 5.313 50 0 HKAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000015074209 568749436 /nfs/dbraw/zinc/74/94/36/568749436.db2.gz KUFZFHSGGGFUBB-LJQANCHMSA-N 1 1 405.517 5.313 50 0 HKAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@H+]1CCCC(F)(F)F ZINC000015075285 558715886 /nfs/dbraw/zinc/71/58/86/558715886.db2.gz YGFTXZRVWXHIJI-GOSISDBHSA-N 1 1 407.436 5.009 50 0 HKAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@H]1CCCC[N@@H+]1CCCC(F)(F)F ZINC000015075285 558715887 /nfs/dbraw/zinc/71/58/87/558715887.db2.gz YGFTXZRVWXHIJI-GOSISDBHSA-N 1 1 407.436 5.009 50 0 HKAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@H+]1CCCC(F)(F)F ZINC000015075286 558715891 /nfs/dbraw/zinc/71/58/91/558715891.db2.gz YGFTXZRVWXHIJI-SFHVURJKSA-N 1 1 407.436 5.009 50 0 HKAAMO O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCC[N@@H+]1CCCC(F)(F)F ZINC000015075286 558715892 /nfs/dbraw/zinc/71/58/92/558715892.db2.gz YGFTXZRVWXHIJI-SFHVURJKSA-N 1 1 407.436 5.009 50 0 HKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCCC[C@@H]1c1cccnc1 ZINC000015076714 558716832 /nfs/dbraw/zinc/71/68/32/558716832.db2.gz SDLUWWWHRVKOBD-HXUWFJFHSA-N 1 1 401.432 5.791 50 0 HKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000015076714 558716836 /nfs/dbraw/zinc/71/68/36/558716836.db2.gz SDLUWWWHRVKOBD-HXUWFJFHSA-N 1 1 401.432 5.791 50 0 HKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC000015076716 558716938 /nfs/dbraw/zinc/71/69/38/558716938.db2.gz SDLUWWWHRVKOBD-FQEVSTJZSA-N 1 1 401.432 5.791 50 0 HKAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000015076716 558716941 /nfs/dbraw/zinc/71/69/41/558716941.db2.gz SDLUWWWHRVKOBD-FQEVSTJZSA-N 1 1 401.432 5.791 50 0 HKAAMO CC[N@@H+](Cc1cnn(C)c1)Cc1cn(-c2ccccc2F)nc1-c1cc(C)sc1C ZINC000015076803 558716822 /nfs/dbraw/zinc/71/68/22/558716822.db2.gz BCUHSDQLXHAACL-UHFFFAOYSA-N 1 1 423.561 5.112 50 0 HKAAMO COc1cccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCc3ccccc3)c(C)o2)c1OC ZINC000015076855 558716803 /nfs/dbraw/zinc/71/68/03/558716803.db2.gz DWWWSKTWWLSONO-OAQYLSRUSA-N 1 1 420.553 5.655 50 0 HKAAMO COc1cccc(-c2nc(C[N@H+]3CCCC[C@H]3CCc3ccccc3)c(C)o2)c1OC ZINC000015076857 558716853 /nfs/dbraw/zinc/71/68/53/558716853.db2.gz DWWWSKTWWLSONO-NRFANRHFSA-N 1 1 420.553 5.655 50 0 HKAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)c(C)c1 ZINC000015077229 558716778 /nfs/dbraw/zinc/71/67/78/558716778.db2.gz QVCNMSREOZAKNI-FQEVSTJZSA-N 1 1 419.569 5.126 50 0 HKAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cn(C)c4ccccc34)C2)c(C)c1 ZINC000015077231 558716786 /nfs/dbraw/zinc/71/67/86/558716786.db2.gz QVCNMSREOZAKNI-HXUWFJFHSA-N 1 1 419.569 5.126 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@@H](CCC(=O)N4CCCC4)C3)ccc21 ZINC000015079128 558718141 /nfs/dbraw/zinc/71/81/41/558718141.db2.gz MGAZVJMPPWSLBT-NRFANRHFSA-N 1 1 417.597 5.429 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCC[C@H](CCC(=O)N4CCCC4)C3)ccc21 ZINC000015079130 558718091 /nfs/dbraw/zinc/71/80/91/558718091.db2.gz MGAZVJMPPWSLBT-OAQYLSRUSA-N 1 1 417.597 5.429 50 0 HKAAMO O=C(CC[N@H+]1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083160 558719783 /nfs/dbraw/zinc/71/97/83/558719783.db2.gz INCKQJKAEPCBFS-HXUWFJFHSA-N 1 1 415.562 5.828 50 0 HKAAMO O=C(CC[N@H+]1CCCC[C@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 ZINC000015083162 558719767 /nfs/dbraw/zinc/71/97/67/558719767.db2.gz INCKQJKAEPCBFS-FQEVSTJZSA-N 1 1 415.562 5.828 50 0 HKAAMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000015358757 558735571 /nfs/dbraw/zinc/73/55/71/558735571.db2.gz WJXNMEKKVWOKML-NRFANRHFSA-N 1 1 418.921 5.175 50 0 HKAAMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000015358758 558735663 /nfs/dbraw/zinc/73/56/63/558735663.db2.gz WJXNMEKKVWOKML-OAQYLSRUSA-N 1 1 418.921 5.175 50 0 HKAAMO Cc1c(O)ccc2c(C[N@@H+]3CCc4sccc4[C@@H]3c3cccs3)cc(=O)oc12 ZINC000015548768 558743599 /nfs/dbraw/zinc/74/35/99/558743599.db2.gz HQCIOLMMCVAIEY-OAQYLSRUSA-N 1 1 409.532 5.078 50 0 HKAAMO Cc1c(O)ccc2c(C[N@H+]3CCc4sccc4[C@@H]3c3cccs3)cc(=O)oc12 ZINC000015548768 558743604 /nfs/dbraw/zinc/74/36/04/558743604.db2.gz HQCIOLMMCVAIEY-OAQYLSRUSA-N 1 1 409.532 5.078 50 0 HKAAMO Cc1c(O)ccc2c(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)cc(=O)oc12 ZINC000015548769 558743501 /nfs/dbraw/zinc/74/35/01/558743501.db2.gz HQCIOLMMCVAIEY-NRFANRHFSA-N 1 1 409.532 5.078 50 0 HKAAMO Cc1c(O)ccc2c(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)cc(=O)oc12 ZINC000015548769 558743504 /nfs/dbraw/zinc/74/35/04/558743504.db2.gz HQCIOLMMCVAIEY-NRFANRHFSA-N 1 1 409.532 5.078 50 0 HKAAMO CC[N@@H+](CCNc1nc(-c2ccc(OC)cc2)nc2ccccc21)Cc1ccccc1 ZINC000015781630 569002746 /nfs/dbraw/zinc/00/27/46/569002746.db2.gz KPSUTWBUVGSRJE-UHFFFAOYSA-N 1 1 412.537 5.239 50 0 HKAAMO Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)sc2c1 ZINC000015859878 558757587 /nfs/dbraw/zinc/75/75/87/558757587.db2.gz XYKCEMHTXVHQKA-MRXNPFEDSA-N 1 1 402.947 5.413 50 0 HKAAMO Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)sc2c1 ZINC000015859879 558757531 /nfs/dbraw/zinc/75/75/31/558757531.db2.gz XYKCEMHTXVHQKA-INIZCTEOSA-N 1 1 402.947 5.413 50 0 HKAAMO CC1CC[NH+]([C@@H](CNC(=O)c2sc3ccccc3c2Cl)c2ccco2)CC1 ZINC000015860067 558757952 /nfs/dbraw/zinc/75/79/52/558757952.db2.gz OTEVTTPPOYRCHG-INIZCTEOSA-N 1 1 402.947 5.351 50 0 HKAAMO CC1CC[NH+]([C@H](CNC(=O)c2sc3ccccc3c2Cl)c2ccco2)CC1 ZINC000015860068 558757857 /nfs/dbraw/zinc/75/78/57/558757857.db2.gz OTEVTTPPOYRCHG-MRXNPFEDSA-N 1 1 402.947 5.351 50 0 HKAAMO Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccco3)[NH+]3CCC(C)CC3)sc2c1 ZINC000015860069 558757844 /nfs/dbraw/zinc/75/78/44/558757844.db2.gz KPRDTUQNUOGVJL-KRWDZBQOSA-N 1 1 416.974 5.659 50 0 HKAAMO Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccco3)[NH+]3CCC(C)CC3)sc2c1 ZINC000015860070 558757816 /nfs/dbraw/zinc/75/78/16/558757816.db2.gz KPRDTUQNUOGVJL-QGZVFWFLSA-N 1 1 416.974 5.659 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+]2CCCCC2)o1 ZINC000015860405 558758143 /nfs/dbraw/zinc/75/81/43/558758143.db2.gz PNENYKVHAJMLDV-MRXNPFEDSA-N 1 1 402.947 5.413 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+]2CCCCC2)o1 ZINC000015860406 558758093 /nfs/dbraw/zinc/75/80/93/558758093.db2.gz PNENYKVHAJMLDV-INIZCTEOSA-N 1 1 402.947 5.413 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+]2CCCCC2)o1 ZINC000015860407 558758076 /nfs/dbraw/zinc/75/80/76/558758076.db2.gz MFKFTVOOYANSIL-QGZVFWFLSA-N 1 1 416.974 5.722 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+]2CCCCC2)o1 ZINC000015860408 558758151 /nfs/dbraw/zinc/75/81/51/558758151.db2.gz MFKFTVOOYANSIL-KRWDZBQOSA-N 1 1 416.974 5.722 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCCCC2)o1 ZINC000015860411 558758187 /nfs/dbraw/zinc/75/81/87/558758187.db2.gz LHYFFNGGYOROQU-GOSISDBHSA-N 1 1 400.906 5.253 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)[NH+]2CCCCC2)o1 ZINC000015860412 558758236 /nfs/dbraw/zinc/75/82/36/558758236.db2.gz LHYFFNGGYOROQU-SFHVURJKSA-N 1 1 400.906 5.253 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCCC2)o1 ZINC000015860415 558758111 /nfs/dbraw/zinc/75/81/11/558758111.db2.gz BLZAUXWBOXADJY-LJQANCHMSA-N 1 1 414.933 5.561 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCCC2)o1 ZINC000015860416 558758164 /nfs/dbraw/zinc/75/81/64/558758164.db2.gz BLZAUXWBOXADJY-IBGZPJMESA-N 1 1 414.933 5.561 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+]2CCCC2)o1 ZINC000015860457 558758224 /nfs/dbraw/zinc/75/82/24/558758224.db2.gz ZSPQHKMRAFFGLZ-MRXNPFEDSA-N 1 1 402.947 5.331 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)[NH+]2CCCC2)o1 ZINC000015860458 558758242 /nfs/dbraw/zinc/75/82/42/558758242.db2.gz ZSPQHKMRAFFGLZ-INIZCTEOSA-N 1 1 402.947 5.331 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+]2CCCC2)o1 ZINC000015860459 558758194 /nfs/dbraw/zinc/75/81/94/558758194.db2.gz RTFLZKPZCNRSJL-OAHLLOKOSA-N 1 1 423.365 5.676 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)[NH+]2CCCC2)o1 ZINC000015860460 558758256 /nfs/dbraw/zinc/75/82/56/558758256.db2.gz RTFLZKPZCNRSJL-HNNXBMFYSA-N 1 1 423.365 5.676 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3cccc(Cl)c3c2Cl)[NH+]2CCCC2)o1 ZINC000015860461 558758176 /nfs/dbraw/zinc/75/81/76/558758176.db2.gz PGADAFJFANPZIO-CQSZACIVSA-N 1 1 423.365 5.676 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2sc3cccc(Cl)c3c2Cl)[NH+]2CCCC2)o1 ZINC000015860462 558758069 /nfs/dbraw/zinc/75/80/69/558758069.db2.gz PGADAFJFANPZIO-AWEZNQCLSA-N 1 1 423.365 5.676 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCC2)o1 ZINC000015860471 558758052 /nfs/dbraw/zinc/75/80/52/558758052.db2.gz JVTAYZPRBYBIHI-GOSISDBHSA-N 1 1 400.906 5.171 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)[NH+]2CCCC2)o1 ZINC000015860472 558758372 /nfs/dbraw/zinc/75/83/72/558758372.db2.gz JVTAYZPRBYBIHI-SFHVURJKSA-N 1 1 400.906 5.171 50 0 HKAAMO Cc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+]2CCC(C)CC2)o1 ZINC000015860485 558758435 /nfs/dbraw/zinc/75/84/35/558758435.db2.gz SJPDUUIUGGUBKZ-KRWDZBQOSA-N 1 1 416.974 5.659 50 0 HKAAMO Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+]2CCC(C)CC2)o1 ZINC000015860486 558758448 /nfs/dbraw/zinc/75/84/48/558758448.db2.gz SJPDUUIUGGUBKZ-QGZVFWFLSA-N 1 1 416.974 5.659 50 0 HKAAMO Cc1ccc2c(=O)cc(C[N@@H+](Cc3ccccc3)Cc3ccc(F)cc3)[nH]c2c1C ZINC000015862279 569015810 /nfs/dbraw/zinc/01/58/10/569015810.db2.gz SWTPTKMQYMWOBZ-UHFFFAOYSA-N 1 1 400.497 5.486 50 0 HKAAMO Cc1cc(C)c2[nH]c(C[N@@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc(=O)c2c1 ZINC000015862280 569015806 /nfs/dbraw/zinc/01/58/06/569015806.db2.gz BGQJUMAFZKBJSO-UHFFFAOYSA-N 1 1 400.497 5.486 50 0 HKAAMO Cc1cc(C)c2c(=O)cc(C[N@@H+](Cc3ccccc3)Cc3ccc(F)cc3)[nH]c2c1 ZINC000015862281 569015839 /nfs/dbraw/zinc/01/58/39/569015839.db2.gz CIVBXGBHMSKXNY-UHFFFAOYSA-N 1 1 400.497 5.486 50 0 HKAAMO O=c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)[nH]c2ccc(Cl)cc12 ZINC000015862282 569015795 /nfs/dbraw/zinc/01/57/95/569015795.db2.gz LNLLIRHYWBEACP-UHFFFAOYSA-N 1 1 406.888 5.523 50 0 HKAAMO Cc1ccc2[nH]c(C[N@@H+](Cc3ccccc3)Cc3ccc(Cl)cc3)cc(=O)c2c1 ZINC000015862301 569015819 /nfs/dbraw/zinc/01/58/19/569015819.db2.gz WWWITHZYCLCYIE-UHFFFAOYSA-N 1 1 402.925 5.692 50 0 HKAAMO Cc1cc(C)c2c(=O)cc(C[N@@H+](Cc3ccccc3)Cc3ccc(Cl)cc3)[nH]c2c1 ZINC000015862302 569015843 /nfs/dbraw/zinc/01/58/43/569015843.db2.gz WPPZBPSVXIEWEV-UHFFFAOYSA-N 1 1 416.952 6.001 50 0 HKAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)c3cc(F)ccc3[nH]2)cc1 ZINC000015862362 569015850 /nfs/dbraw/zinc/01/58/50/569015850.db2.gz KBYKTEVLTDRNIR-UHFFFAOYSA-N 1 1 416.496 5.268 50 0 HKAAMO COC(=O)c1ccc(C[N@H+]2CCc3c4c(sc3[C@@H]2c2ccccc2)CCCC4)cc1 ZINC000015864851 569016627 /nfs/dbraw/zinc/01/66/27/569016627.db2.gz FOBRYYDBSWRCTJ-DEOSSOPVSA-N 1 1 417.574 5.561 50 0 HKAAMO COC(=O)c1ccc(C[N@H+]2CCc3c4c(sc3[C@H]2c2ccccc2)CCCC4)cc1 ZINC000015864852 569016658 /nfs/dbraw/zinc/01/66/58/569016658.db2.gz FOBRYYDBSWRCTJ-XMMPIXPASA-N 1 1 417.574 5.561 50 0 HKAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866877 558759010 /nfs/dbraw/zinc/75/90/10/558759010.db2.gz ITOGMXDWRBGSOS-FQEVSTJZSA-N 1 1 404.539 5.543 50 0 HKAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866878 558759102 /nfs/dbraw/zinc/75/91/02/558759102.db2.gz ITOGMXDWRBGSOS-HXUWFJFHSA-N 1 1 404.539 5.543 50 0 HKAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866929 558759021 /nfs/dbraw/zinc/75/90/21/558759021.db2.gz SNBPSMYWEKWDSA-FQEVSTJZSA-N 1 1 418.566 5.797 50 0 HKAAMO CCc1onc(C)c1[C@H]1CCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000015866930 558759068 /nfs/dbraw/zinc/75/90/68/558759068.db2.gz SNBPSMYWEKWDSA-HXUWFJFHSA-N 1 1 418.566 5.797 50 0 HKAAMO C[NH+]1CCN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)CC1 ZINC000015906588 569020539 /nfs/dbraw/zinc/02/05/39/569020539.db2.gz DFHLWTZISUGNQT-ISPAOBMBSA-N 1 1 421.308 5.987 50 0 HKAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)c(OC)c1 ZINC000015953538 560650475 /nfs/dbraw/zinc/65/04/75/560650475.db2.gz KHTQBWLJEZPZAP-INVJPVLZSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)c(OC)c1 ZINC000015953540 560650494 /nfs/dbraw/zinc/65/04/94/560650494.db2.gz KHTQBWLJEZPZAP-KNBUBVHZSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)c1 ZINC000016032479 560654770 /nfs/dbraw/zinc/65/47/70/560654770.db2.gz NGTYIDRNJTUKEY-INVJPVLZSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)c1 ZINC000016032481 560654814 /nfs/dbraw/zinc/65/48/14/560654814.db2.gz NGTYIDRNJTUKEY-KNBUBVHZSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO Fc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccsc1)O2 ZINC000016046969 569028306 /nfs/dbraw/zinc/02/83/06/569028306.db2.gz XPUAMBZGQNYXQP-CRAIPNDOSA-N 1 1 401.425 5.269 50 0 HKAAMO Fc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccsc1)O2 ZINC000016046969 569028307 /nfs/dbraw/zinc/02/83/07/569028307.db2.gz XPUAMBZGQNYXQP-CRAIPNDOSA-N 1 1 401.425 5.269 50 0 HKAAMO Fc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccsc1)O2 ZINC000016046970 569028311 /nfs/dbraw/zinc/02/83/11/569028311.db2.gz XPUAMBZGQNYXQP-QAPCUYQASA-N 1 1 401.425 5.269 50 0 HKAAMO Fc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccsc1)O2 ZINC000016046970 569028312 /nfs/dbraw/zinc/02/83/12/569028312.db2.gz XPUAMBZGQNYXQP-QAPCUYQASA-N 1 1 401.425 5.269 50 0 HKAAMO COc1ccccc1[C@@H](CNC(=S)Nc1ccc(Oc2ccccc2)cc1)[NH+](C)C ZINC000016241265 569030253 /nfs/dbraw/zinc/03/02/53/569030253.db2.gz DIPDTUCKNBJULO-JOCHJYFZSA-N 1 1 421.566 5.077 50 0 HKAAMO COc1ccccc1[C@H](CNC(=S)Nc1ccc(Oc2ccccc2)cc1)[NH+](C)C ZINC000016241266 569030229 /nfs/dbraw/zinc/03/02/29/569030229.db2.gz DIPDTUCKNBJULO-QFIPXVFZSA-N 1 1 421.566 5.077 50 0 HKAAMO COC(=O)c1ccccc1Oc1c(F)c(F)c(/C=C/C[NH+]2CCCCC2)c(F)c1F ZINC000016294239 558784355 /nfs/dbraw/zinc/78/43/55/558784355.db2.gz XTJOWXUDKLVGGX-VQHVLOKHSA-N 1 1 423.406 5.321 50 0 HKAAMO COc1ccccc1-c1noc(C[N@H+](CCc2ccccc2)Cc2ccc(C)s2)n1 ZINC000016397166 569041045 /nfs/dbraw/zinc/04/10/45/569041045.db2.gz FIHKJWHWHTZTPG-UHFFFAOYSA-N 1 1 419.550 5.360 50 0 HKAAMO COc1ccccc1-c1noc(C[N@@H+](CCc2ccccc2)Cc2ccc(C)s2)n1 ZINC000016397166 569041046 /nfs/dbraw/zinc/04/10/46/569041046.db2.gz FIHKJWHWHTZTPG-UHFFFAOYSA-N 1 1 419.550 5.360 50 0 HKAAMO CCOc1cc(C[N@H+](Cc2cn3cc(Cl)ccc3n2)C2CC2)ccc1OC(F)F ZINC000016419431 558790285 /nfs/dbraw/zinc/79/02/85/558790285.db2.gz KFCNDHVVFNIEBC-UHFFFAOYSA-N 1 1 421.875 5.152 50 0 HKAAMO CCOc1cc(C[N@@H+](Cc2cn3cc(Cl)ccc3n2)C2CC2)ccc1OC(F)F ZINC000016419431 558790288 /nfs/dbraw/zinc/79/02/88/558790288.db2.gz KFCNDHVVFNIEBC-UHFFFAOYSA-N 1 1 421.875 5.152 50 0 HKAAMO CCOc1cc(C[N@@H+](Cc2ccc(-n3cccn3)cc2)C2CC2)ccc1OC(F)F ZINC000016419441 558790366 /nfs/dbraw/zinc/79/03/66/558790366.db2.gz UCUNODOXOXBPMA-UHFFFAOYSA-N 1 1 413.468 5.037 50 0 HKAAMO C[NH+]1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2Cl)CC1 ZINC000016447873 558791665 /nfs/dbraw/zinc/79/16/65/558791665.db2.gz UFNUFDUKKLSKBN-UHFFFAOYSA-N 1 1 420.365 5.212 50 0 HKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc(F)cc1 ZINC000016448873 558791904 /nfs/dbraw/zinc/79/19/04/558791904.db2.gz FGNXPLTYIUQZCA-UHFFFAOYSA-N 1 1 423.919 5.054 50 0 HKAAMO O=C(C[C@H](c1ccccc1)[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000016477268 569053559 /nfs/dbraw/zinc/05/35/59/569053559.db2.gz ONQYTFMUKJJGAX-HSZRJFAPSA-N 1 1 420.350 5.822 50 0 HKAAMO O=C(C[C@@H](c1ccccc1)[N@H+]1CCc2ccccc2C1)c1ccc(Br)cc1 ZINC000016477271 569053543 /nfs/dbraw/zinc/05/35/43/569053543.db2.gz ONQYTFMUKJJGAX-QHCPKHFHSA-N 1 1 420.350 5.822 50 0 HKAAMO C[N@H+](CCSc1ccc(Cl)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000016635927 558797215 /nfs/dbraw/zinc/79/72/15/558797215.db2.gz JMUJVPKCIFKRAA-UHFFFAOYSA-N 1 1 403.762 5.309 50 0 HKAAMO C[N@@H+](CCSc1ccc(Cl)cc1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000016635927 558797217 /nfs/dbraw/zinc/79/72/17/558797217.db2.gz JMUJVPKCIFKRAA-UHFFFAOYSA-N 1 1 403.762 5.309 50 0 HKAAMO C[C@@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 ZINC000016712745 558801868 /nfs/dbraw/zinc/80/18/68/558801868.db2.gz ALZDHBBYPLYFCI-HDICACEKSA-N 1 1 400.501 5.709 50 0 HKAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@H](C)O1 ZINC000016712818 558801854 /nfs/dbraw/zinc/80/18/54/558801854.db2.gz APJYHERCIDOZRE-CALCHBBNSA-N 1 1 418.928 5.355 50 0 HKAAMO C[C@@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 ZINC000016712820 558801848 /nfs/dbraw/zinc/80/18/48/558801848.db2.gz MRFTYVLARGHQCE-HDICACEKSA-N 1 1 416.956 6.223 50 0 HKAAMO C[C@@H]1CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@H](C)O1 ZINC000016712831 132464232 /nfs/dbraw/zinc/46/42/32/132464232.db2.gz RNEFFOIJRPZVFW-CALCHBBNSA-N 1 1 418.928 5.355 50 0 HKAAMO C[C@@H]1C[C@H](C)CN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 ZINC000016712833 558801833 /nfs/dbraw/zinc/80/18/33/558801833.db2.gz CCCAKUMDNMGWBG-HDICACEKSA-N 1 1 416.956 6.223 50 0 HKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000016712838 558801907 /nfs/dbraw/zinc/80/19/07/558801907.db2.gz IUXVSJBKGZUBPX-KDURUIRLSA-N 1 1 412.537 5.578 50 0 HKAAMO CC(C)N(C(=O)Cn1c2ccccc2nc1[C@@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000016776800 558806425 /nfs/dbraw/zinc/80/64/25/558806425.db2.gz AGMMRIRPIIIXPX-HXUWFJFHSA-N 1 1 404.558 5.025 50 0 HKAAMO CC(C)N(C(=O)Cn1c2ccccc2nc1[C@H](C)[NH+]1CCCCC1)c1ccccc1 ZINC000016776802 558806333 /nfs/dbraw/zinc/80/63/33/558806333.db2.gz AGMMRIRPIIIXPX-FQEVSTJZSA-N 1 1 404.558 5.025 50 0 HKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016916139 569267311 /nfs/dbraw/zinc/26/73/11/569267311.db2.gz UEUVLVBGWUEONU-UHFFFAOYSA-N 1 1 423.538 5.404 50 0 HKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 ZINC000016916139 569267312 /nfs/dbraw/zinc/26/73/12/569267312.db2.gz UEUVLVBGWUEONU-UHFFFAOYSA-N 1 1 423.538 5.404 50 0 HKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1c2ccccc2Oc2ccccc21 ZINC000017088554 558817320 /nfs/dbraw/zinc/81/73/20/558817320.db2.gz ZRTZWUHONCHQGS-JTHBVZDNSA-N 1 1 410.517 5.067 50 0 HKAAMO O=C(c1csc2c1CCCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000017090839 558819543 /nfs/dbraw/zinc/81/95/43/558819543.db2.gz ZSSAQVLVKNUTCD-UHFFFAOYSA-N 1 1 416.590 5.174 50 0 HKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000017113401 569274965 /nfs/dbraw/zinc/27/49/65/569274965.db2.gz DQTGSJHYCDPSMZ-UHFFFAOYSA-N 1 1 423.563 5.637 50 0 HKAAMO c1ccc(N2N=Cc3ccccc3/C2=C2\c3ccccc3C=[NH+]N2c2ccccc2)cc1 ZINC000017118532 558822949 /nfs/dbraw/zinc/82/29/49/558822949.db2.gz HJKXXCOYJYHASN-DQSJHHFOSA-N 1 1 412.496 6.221 50 0 HKAAMO O=C(Nc1cccc(C[NH2+]Cc2ccc(Cl)cc2Cl)c1)c1ccccc1Cl ZINC000017310643 560707809 /nfs/dbraw/zinc/70/78/09/560707809.db2.gz JHHOHKORMNEBOT-UHFFFAOYSA-N 1 1 419.739 6.189 50 0 HKAAMO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)c3ccccc3Br)c2)cc1 ZINC000017312601 560708005 /nfs/dbraw/zinc/70/80/05/560708005.db2.gz ZPYGVOHAGSNBJF-QGZVFWFLSA-N 1 1 423.354 5.861 50 0 HKAAMO Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccccc3Br)c2)cc1 ZINC000017312603 560708011 /nfs/dbraw/zinc/70/80/11/560708011.db2.gz ZPYGVOHAGSNBJF-KRWDZBQOSA-N 1 1 423.354 5.861 50 0 HKAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@H](C)c1ccccc1Br ZINC000017312652 560708127 /nfs/dbraw/zinc/70/81/27/560708127.db2.gz KAORORFFCCHPNJ-MRXNPFEDSA-N 1 1 412.375 5.470 50 0 HKAAMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+][C@@H](C)c1ccccc1Br ZINC000017312654 560708177 /nfs/dbraw/zinc/70/81/77/560708177.db2.gz KAORORFFCCHPNJ-INIZCTEOSA-N 1 1 412.375 5.470 50 0 HKAAMO C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1F ZINC000017316001 560708347 /nfs/dbraw/zinc/70/83/47/560708347.db2.gz TXHSXAIDGNVTSQ-CQSZACIVSA-N 1 1 400.856 5.721 50 0 HKAAMO C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1F ZINC000017316003 560708327 /nfs/dbraw/zinc/70/83/27/560708327.db2.gz TXHSXAIDGNVTSQ-AWEZNQCLSA-N 1 1 400.856 5.721 50 0 HKAAMO O=c1[nH]c(C[N@H+]2CCCC3(CCCCC3)C2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000018143529 558832086 /nfs/dbraw/zinc/83/20/86/558832086.db2.gz BIQCIZDAGMICNL-UHFFFAOYSA-N 1 1 417.597 5.351 50 0 HKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000018145607 558832129 /nfs/dbraw/zinc/83/21/29/558832129.db2.gz AOIWSYFLKMQHLZ-UHFFFAOYSA-N 1 1 420.727 5.157 50 0 HKAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](COc3ccc(C)cc3)C2)c(C)o1 ZINC000019112227 558841690 /nfs/dbraw/zinc/84/16/90/558841690.db2.gz NNOXLVJXBRNLDM-HXUWFJFHSA-N 1 1 406.526 5.258 50 0 HKAAMO COc1ccccc1-c1nc(C[N@H+]2CCC[C@H](COc3ccc(C)cc3)C2)c(C)o1 ZINC000019112232 558841731 /nfs/dbraw/zinc/84/17/31/558841731.db2.gz NNOXLVJXBRNLDM-FQEVSTJZSA-N 1 1 406.526 5.258 50 0 HKAAMO CSc1ccc(-c2nc(C[NH+]3CCC(Oc4cccc(F)c4)CC3)c(C)o2)cc1 ZINC000019145881 558846678 /nfs/dbraw/zinc/84/66/78/558846678.db2.gz FTJLVAWUFLRUOE-UHFFFAOYSA-N 1 1 412.530 5.554 50 0 HKAAMO C[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C1CCCCC1 ZINC000019147960 558847068 /nfs/dbraw/zinc/84/70/68/558847068.db2.gz FVMQOEHRIWAUSQ-UHFFFAOYSA-N 1 1 416.997 5.159 50 0 HKAAMO Cc1cc(C[N@@H+](C)Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)on1 ZINC000019229287 558853343 /nfs/dbraw/zinc/85/33/43/558853343.db2.gz LFRFZRCIBFTEAE-UHFFFAOYSA-N 1 1 410.880 5.260 50 0 HKAAMO Cc1cc(C[N@H+](C)Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)on1 ZINC000019229287 558853345 /nfs/dbraw/zinc/85/33/45/558853345.db2.gz LFRFZRCIBFTEAE-UHFFFAOYSA-N 1 1 410.880 5.260 50 0 HKAAMO CCCN1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)CC1 ZINC000019299827 558866263 /nfs/dbraw/zinc/86/62/63/558866263.db2.gz QXXZNTUUXWGAKX-UHFFFAOYSA-N 1 1 423.576 5.018 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)NCc1ccccc1F ZINC000019299857 558866214 /nfs/dbraw/zinc/86/62/14/558866214.db2.gz RYSXRPFPLQCTMX-KRWDZBQOSA-N 1 1 422.466 5.153 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)NCc1ccccc1F ZINC000019299859 558866332 /nfs/dbraw/zinc/86/63/32/558866332.db2.gz RYSXRPFPLQCTMX-QGZVFWFLSA-N 1 1 422.466 5.153 50 0 HKAAMO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000019360739 558876073 /nfs/dbraw/zinc/87/60/73/558876073.db2.gz SMANXXCATUTDDT-QPJJXVBHSA-N 1 1 404.504 5.385 50 0 world HKAAMO COc1ccccc1CN[C@H]1C2CC[NH+](CC2)[C@H]1C(c1ccccc1)c1ccccc1 ZINC000019361055 558876101 /nfs/dbraw/zinc/87/61/01/558876101.db2.gz FLNYLINBEZROPL-NSOVKSMOSA-N 1 1 412.577 5.080 50 0 in-vivo HKAAMO COc1ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c2ccccc12 ZINC000019369737 558878225 /nfs/dbraw/zinc/87/82/25/558878225.db2.gz SGDAEIOMKHBTKX-UHFFFAOYSA-N 1 1 414.471 5.185 50 0 HKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019418405 558885361 /nfs/dbraw/zinc/88/53/61/558885361.db2.gz WZBDINFXSFDSTL-UHFFFAOYSA-N 1 1 411.332 5.804 50 0 HKAAMO Clc1ccc(Oc2cccc(C[NH+]3CCN(C/C=C/c4ccccc4)CC3)c2)cc1 ZINC000019536436 558913928 /nfs/dbraw/zinc/91/39/28/558913928.db2.gz NDWYRTLQIKQBFQ-WEVVVXLNSA-N 1 1 418.968 5.963 50 0 HKAAMO Clc1ccc(Oc2cccc(CN3CC[NH+](C/C=C/c4ccccc4)CC3)c2)cc1 ZINC000019536436 558913931 /nfs/dbraw/zinc/91/39/31/558913931.db2.gz NDWYRTLQIKQBFQ-WEVVVXLNSA-N 1 1 418.968 5.963 50 0 HKAAMO CC(C)(C)c1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019536488 558914049 /nfs/dbraw/zinc/91/40/49/558914049.db2.gz WFTNOTDRSKYSKZ-JLHYYAGUSA-N 1 1 420.641 5.818 50 0 HKAAMO CC(C)(C)c1cc(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019536488 558914050 /nfs/dbraw/zinc/91/40/50/558914050.db2.gz WFTNOTDRSKYSKZ-JLHYYAGUSA-N 1 1 420.641 5.818 50 0 HKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)cc1 ZINC000019537090 558914043 /nfs/dbraw/zinc/91/40/43/558914043.db2.gz KDHGMXXWJSRKMV-LJQANCHMSA-N 1 1 417.509 5.570 50 0 HKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)cc1 ZINC000019537093 558913943 /nfs/dbraw/zinc/91/39/43/558913943.db2.gz KDHGMXXWJSRKMV-IBGZPJMESA-N 1 1 417.509 5.570 50 0 HKAAMO S=c1scc(-c2ccc(Cl)cc2)n1C[NH+]1CCC(c2ccccc2)CC1 ZINC000019596654 558946397 /nfs/dbraw/zinc/94/63/97/558946397.db2.gz SCIPLPSOZXYWRD-UHFFFAOYSA-N 1 1 401.000 6.437 50 0 HKAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019597049 569282973 /nfs/dbraw/zinc/28/29/73/569282973.db2.gz IYKKGYSQUZEAGE-UHFFFAOYSA-N 1 1 405.929 5.279 50 0 HKAAMO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019597050 558946315 /nfs/dbraw/zinc/94/63/15/558946315.db2.gz MKHONTBBAFZEOY-UHFFFAOYSA-N 1 1 405.929 5.279 50 0 HKAAMO O=C(Nc1cccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019597053 560869086 /nfs/dbraw/zinc/86/90/86/560869086.db2.gz XKGUYRWNNMXUQO-UHFFFAOYSA-N 1 1 421.544 5.779 50 0 HKAAMO CC(C)(C)c1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019720625 569429050 /nfs/dbraw/zinc/42/90/50/569429050.db2.gz QXYOWGBDYOBWFH-UHFFFAOYSA-N 1 1 412.577 5.532 50 0 HKAAMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000019731216 558259553 /nfs/dbraw/zinc/25/95/53/558259553.db2.gz SCWPSJIICOQEPZ-QFIPXVFZSA-N 1 1 405.586 5.069 50 0 HKAAMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)cc1 ZINC000019731218 558259509 /nfs/dbraw/zinc/25/95/09/558259509.db2.gz SCWPSJIICOQEPZ-JOCHJYFZSA-N 1 1 405.586 5.069 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000019732490 558259753 /nfs/dbraw/zinc/25/97/53/558259753.db2.gz JOAKKMXONBWQMG-VWLOTQADSA-N 1 1 407.941 5.813 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000019732490 558259755 /nfs/dbraw/zinc/25/97/55/558259755.db2.gz JOAKKMXONBWQMG-VWLOTQADSA-N 1 1 407.941 5.813 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1cccc(C)c1)CC2 ZINC000019732492 558259771 /nfs/dbraw/zinc/25/97/71/558259771.db2.gz JOAKKMXONBWQMG-RUZDIDTESA-N 1 1 407.941 5.813 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000019732492 558259772 /nfs/dbraw/zinc/25/97/72/558259772.db2.gz JOAKKMXONBWQMG-RUZDIDTESA-N 1 1 407.941 5.813 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1cc(C)ccc1C)CC2 ZINC000019732585 558259746 /nfs/dbraw/zinc/25/97/46/558259746.db2.gz KVDLACVFYYGXHT-SANMLTNESA-N 1 1 421.968 6.122 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1cc(C)ccc1C)CC2 ZINC000019732587 558259803 /nfs/dbraw/zinc/25/98/03/558259803.db2.gz KVDLACVFYYGXHT-AREMUKBSSA-N 1 1 421.968 6.122 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccccc1C)CC2 ZINC000019732624 558259912 /nfs/dbraw/zinc/25/99/12/558259912.db2.gz RZKZAQFHMZHYEC-VWLOTQADSA-N 1 1 407.941 5.813 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccccc1C)CC2 ZINC000019732624 558259915 /nfs/dbraw/zinc/25/99/15/558259915.db2.gz RZKZAQFHMZHYEC-VWLOTQADSA-N 1 1 407.941 5.813 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccccc1C)CC2 ZINC000019732626 558259851 /nfs/dbraw/zinc/25/98/51/558259851.db2.gz RZKZAQFHMZHYEC-RUZDIDTESA-N 1 1 407.941 5.813 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccccc1C)CC2 ZINC000019732626 558259855 /nfs/dbraw/zinc/25/98/55/558259855.db2.gz RZKZAQFHMZHYEC-RUZDIDTESA-N 1 1 407.941 5.813 50 0 HKAAMO CCc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000019732628 558259783 /nfs/dbraw/zinc/25/97/83/558259783.db2.gz VLKVACODVUQBHI-SANMLTNESA-N 1 1 421.968 6.067 50 0 HKAAMO CCc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000019732628 558259784 /nfs/dbraw/zinc/25/97/84/558259784.db2.gz VLKVACODVUQBHI-SANMLTNESA-N 1 1 421.968 6.067 50 0 HKAAMO CCc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000019732630 558259775 /nfs/dbraw/zinc/25/97/75/558259775.db2.gz VLKVACODVUQBHI-AREMUKBSSA-N 1 1 421.968 6.067 50 0 HKAAMO CCc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000019732630 558259777 /nfs/dbraw/zinc/25/97/77/558259777.db2.gz VLKVACODVUQBHI-AREMUKBSSA-N 1 1 421.968 6.067 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](C/C=C/c1ccccc1)CC2 ZINC000019732682 558259904 /nfs/dbraw/zinc/25/99/04/558259904.db2.gz ADXAZGRZMQUCNW-ZRFNAWPJSA-N 1 1 419.952 6.018 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000019732682 558259906 /nfs/dbraw/zinc/25/99/06/558259906.db2.gz ADXAZGRZMQUCNW-ZRFNAWPJSA-N 1 1 419.952 6.018 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](C/C=C/c1ccccc1)CC2 ZINC000019732684 558259763 /nfs/dbraw/zinc/25/97/63/558259763.db2.gz ADXAZGRZMQUCNW-GYAHLDOBSA-N 1 1 419.952 6.018 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000019732684 558259765 /nfs/dbraw/zinc/25/97/65/558259765.db2.gz ADXAZGRZMQUCNW-GYAHLDOBSA-N 1 1 419.952 6.018 50 0 HKAAMO Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019759999 558276266 /nfs/dbraw/zinc/27/62/66/558276266.db2.gz MEIWCFQAJFJTMX-UHFFFAOYSA-N 1 1 421.544 5.168 50 0 HKAAMO Cc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)c1 ZINC000019760047 558276186 /nfs/dbraw/zinc/27/61/86/558276186.db2.gz MOSZYBPGFACGHN-UHFFFAOYSA-N 1 1 421.544 5.168 50 0 HKAAMO O=C(Nc1ccc(Cl)cc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019762356 558277198 /nfs/dbraw/zinc/27/71/98/558277198.db2.gz RUIDHNVDGAIZFF-UHFFFAOYSA-N 1 1 411.332 5.804 50 0 HKAAMO O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000019771244 558279682 /nfs/dbraw/zinc/27/96/82/558279682.db2.gz UDNQHCSFKSUUNU-UHFFFAOYSA-N 1 1 423.582 5.285 50 0 HKAAMO CCn1c2ccccc2c2cc(CN3CC[NH+](Cc4c[nH]c5ccccc45)CC3)ccc21 ZINC000019782002 558281500 /nfs/dbraw/zinc/28/15/00/558281500.db2.gz FKMRLRUCQQTCKL-UHFFFAOYSA-N 1 1 422.576 5.614 50 0 HKAAMO CCOc1ccc(C[N@@H+](CCc2ccc3c(c2)OCO3)Cc2ccccc2F)cc1 ZINC000019782346 558281628 /nfs/dbraw/zinc/28/16/28/558281628.db2.gz ZXAOELJTOKHATB-UHFFFAOYSA-N 1 1 407.485 5.198 50 0 HKAAMO C[NH+]1CCN([C@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019790440 569429799 /nfs/dbraw/zinc/42/97/99/569429799.db2.gz NRFOCGXAYOMZMS-NRFANRHFSA-N 1 1 400.632 5.386 50 0 HKAAMO CN1CC[NH+]([C@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019790440 569429800 /nfs/dbraw/zinc/42/98/00/569429800.db2.gz NRFOCGXAYOMZMS-NRFANRHFSA-N 1 1 400.632 5.386 50 0 HKAAMO C[NH+]1CCN([C@@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019790441 569429903 /nfs/dbraw/zinc/42/99/03/569429903.db2.gz NRFOCGXAYOMZMS-OAQYLSRUSA-N 1 1 400.632 5.386 50 0 HKAAMO CN1CC[NH+]([C@@H](c2cccs2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000019790441 569429904 /nfs/dbraw/zinc/42/99/04/569429904.db2.gz NRFOCGXAYOMZMS-OAQYLSRUSA-N 1 1 400.632 5.386 50 0 HKAAMO Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000019792457 558283363 /nfs/dbraw/zinc/28/33/63/558283363.db2.gz MHWZWDPCWAQUKW-GFCCVEGCSA-N 1 1 407.386 5.152 50 0 HKAAMO Fc1ccc(F)c(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000019792457 558283366 /nfs/dbraw/zinc/28/33/66/558283366.db2.gz MHWZWDPCWAQUKW-GFCCVEGCSA-N 1 1 407.386 5.152 50 0 HKAAMO Fc1ccc(F)c(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000019792458 558283304 /nfs/dbraw/zinc/28/33/04/558283304.db2.gz MHWZWDPCWAQUKW-LBPRGKRZSA-N 1 1 407.386 5.152 50 0 HKAAMO Fc1ccc(F)c(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3c(F)ccc(F)c3F)C2)c1 ZINC000019792458 558283309 /nfs/dbraw/zinc/28/33/09/558283309.db2.gz MHWZWDPCWAQUKW-LBPRGKRZSA-N 1 1 407.386 5.152 50 0 HKAAMO O=C(Nc1ccccc1Br)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019792694 558283453 /nfs/dbraw/zinc/28/34/53/558283453.db2.gz AQJMDAAWKINHPY-UHFFFAOYSA-N 1 1 421.338 5.260 50 0 HKAAMO O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019794368 558283636 /nfs/dbraw/zinc/28/36/36/558283636.db2.gz HYBGSUMURIUERW-UHFFFAOYSA-N 1 1 411.332 5.804 50 0 HKAAMO O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019794728 558284051 /nfs/dbraw/zinc/28/40/51/558284051.db2.gz DGZYFBXJOPXVBE-UHFFFAOYSA-N 1 1 410.439 5.516 50 0 HKAAMO O=C(NCCSC1CCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019798639 558284765 /nfs/dbraw/zinc/28/47/65/558284765.db2.gz GPJQMIKRKRCJIH-UHFFFAOYSA-N 1 1 408.611 5.041 50 0 HKAAMO S=C(Nc1cccc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019798836 558285004 /nfs/dbraw/zinc/28/50/04/558285004.db2.gz VGKCSHCDPHGPFP-UHFFFAOYSA-N 1 1 421.997 5.444 50 0 HKAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000019799432 558285039 /nfs/dbraw/zinc/28/50/39/558285039.db2.gz PYEZGPYJHHTBBW-MRXNPFEDSA-N 1 1 416.443 5.358 50 0 HKAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000019799432 558285042 /nfs/dbraw/zinc/28/50/42/558285042.db2.gz PYEZGPYJHHTBBW-MRXNPFEDSA-N 1 1 416.443 5.358 50 0 HKAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000019799435 558285146 /nfs/dbraw/zinc/28/51/46/558285146.db2.gz PYEZGPYJHHTBBW-INIZCTEOSA-N 1 1 416.443 5.358 50 0 HKAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000019799435 558285148 /nfs/dbraw/zinc/28/51/48/558285148.db2.gz PYEZGPYJHHTBBW-INIZCTEOSA-N 1 1 416.443 5.358 50 0 HKAAMO Cc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019800183 558285303 /nfs/dbraw/zinc/28/53/03/558285303.db2.gz AEMFYVXGYKPGDM-UHFFFAOYSA-N 1 1 401.579 5.099 50 0 HKAAMO COc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1Cl ZINC000019800296 558285214 /nfs/dbraw/zinc/28/52/14/558285214.db2.gz ALORVGAVZQXHPT-UHFFFAOYSA-N 1 1 406.913 5.159 50 0 HKAAMO COc1ccccc1O[C@@H](CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019801804 569430538 /nfs/dbraw/zinc/43/05/38/569430538.db2.gz NBIXQTAFCALVHC-VWLOTQADSA-N 1 1 416.565 5.023 50 0 HKAAMO COc1ccccc1O[C@H](CC[NH+]1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000019801807 569430515 /nfs/dbraw/zinc/43/05/15/569430515.db2.gz NBIXQTAFCALVHC-RUZDIDTESA-N 1 1 416.565 5.023 50 0 HKAAMO c1ccc(CC[N@@H+](Cc2ccccc2)Cc2ccc(OCc3ccccc3)cc2)cc1 ZINC000019809373 558286387 /nfs/dbraw/zinc/28/63/87/558286387.db2.gz LUVQUAIWOYNDQA-UHFFFAOYSA-N 1 1 407.557 6.511 50 0 HKAAMO c1ccc(CC[N@@H+](Cc2ccccc2)Cc2cccc(OCc3ccccc3)c2)cc1 ZINC000019810096 558286590 /nfs/dbraw/zinc/28/65/90/558286590.db2.gz IPNODZKIAJOAQZ-UHFFFAOYSA-N 1 1 407.557 6.511 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019811920 558286902 /nfs/dbraw/zinc/28/69/02/558286902.db2.gz ZOLQUIREJYEJQN-UHFFFAOYSA-N 1 1 406.913 5.159 50 0 HKAAMO Cc1ccc(SCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000019812141 558287223 /nfs/dbraw/zinc/28/72/23/558287223.db2.gz QNYSXKFFXNCLHC-UHFFFAOYSA-N 1 1 416.590 5.075 50 0 HKAAMO Cc1oc(C(C)(C)C)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019834942 558292377 /nfs/dbraw/zinc/29/23/77/558292377.db2.gz MTXYNEYOKLRFQJ-UHFFFAOYSA-N 1 1 416.565 5.433 50 0 HKAAMO Cc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000019840997 558294035 /nfs/dbraw/zinc/29/40/35/558294035.db2.gz KLSNINIKGPBZPO-UHFFFAOYSA-N 1 1 415.606 5.407 50 0 HKAAMO Cc1cc(C)cc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019841001 558294015 /nfs/dbraw/zinc/29/40/15/558294015.db2.gz RROPWBCZFYGVIE-UHFFFAOYSA-N 1 1 415.606 5.407 50 0 HKAAMO S=C(Nc1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019841084 558293976 /nfs/dbraw/zinc/29/39/76/558293976.db2.gz GOPWWNHBQHDSJA-UHFFFAOYSA-N 1 1 421.997 5.444 50 0 HKAAMO Cc1ccc(COc2ccccc2C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019842161 558294387 /nfs/dbraw/zinc/29/43/87/558294387.db2.gz KQQBIWUVKBBSIF-UHFFFAOYSA-N 1 1 416.590 5.067 50 0 HKAAMO CCOc1ccccc1C(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019842725 558294577 /nfs/dbraw/zinc/29/45/77/558294577.db2.gz FNBIIDKUNPGXDD-UHFFFAOYSA-N 1 1 416.590 5.168 50 0 HKAAMO CCOc1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019842742 558294628 /nfs/dbraw/zinc/29/46/28/558294628.db2.gz QRPCMYZEUCFURR-UHFFFAOYSA-N 1 1 416.590 5.168 50 0 HKAAMO S=C(c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019842745 526386882 /nfs/dbraw/zinc/38/68/82/526386882.db2.gz YTIREXNKBIRFAM-UHFFFAOYSA-N 1 1 406.982 5.423 50 0 HKAAMO O=C(c1ccc2ccccc2c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019854207 558296065 /nfs/dbraw/zinc/29/60/65/558296065.db2.gz MHPUDOKXQMVAEI-UHFFFAOYSA-N 1 1 406.529 5.387 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)NCc1ccc(F)c(F)c1 ZINC000019865727 558298843 /nfs/dbraw/zinc/29/88/43/558298843.db2.gz QKKBQECJDMWKCR-KRWDZBQOSA-N 1 1 412.480 5.020 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1)NCc1ccc(F)c(F)c1 ZINC000019865731 558298799 /nfs/dbraw/zinc/29/87/99/558298799.db2.gz QKKBQECJDMWKCR-QGZVFWFLSA-N 1 1 412.480 5.020 50 0 HKAAMO CSc1ccc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019877568 558300287 /nfs/dbraw/zinc/30/02/87/558300287.db2.gz FYXFCWPUDBMEKG-UHFFFAOYSA-N 1 1 418.631 5.491 50 0 HKAAMO Cc1nc2ccccc2n1CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019878097 569357419 /nfs/dbraw/zinc/35/74/19/569357419.db2.gz QSAUUWNHPOMXNA-UHFFFAOYSA-N 1 1 424.592 5.142 50 0 HKAAMO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019880226 558300767 /nfs/dbraw/zinc/30/07/67/558300767.db2.gz PAUAHWVBMVTHTR-UHFFFAOYSA-N 1 1 420.556 5.316 50 0 HKAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)CCC4CCCC4)CC3)ccc21 ZINC000019880234 558300697 /nfs/dbraw/zinc/30/06/97/558300697.db2.gz AFHBZDBTPOXDJJ-UHFFFAOYSA-N 1 1 417.597 5.429 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000019881401 569432962 /nfs/dbraw/zinc/43/29/62/569432962.db2.gz PISOIHQJIHDNNX-UHFFFAOYSA-N 1 1 421.544 5.168 50 0 HKAAMO Cc1ccccc1NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019885064 525267221 /nfs/dbraw/zinc/26/72/21/525267221.db2.gz IQTBHFIJZHFYKZ-UHFFFAOYSA-N 1 1 401.579 5.099 50 0 HKAAMO Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000019885424 558302023 /nfs/dbraw/zinc/30/20/23/558302023.db2.gz BSOPSIUARDOVBU-UHFFFAOYSA-N 1 1 404.941 5.196 50 0 HKAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(CCCc4ccccc4)CC3)ccc21 ZINC000019889663 558302691 /nfs/dbraw/zinc/30/26/91/558302691.db2.gz YAWVDKMXPAXGBG-UHFFFAOYSA-N 1 1 411.593 5.565 50 0 HKAAMO CCOc1ccc(C[NH+]2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889955 558302660 /nfs/dbraw/zinc/30/26/60/558302660.db2.gz CSJVIZUHSRAYOY-UHFFFAOYSA-N 1 1 402.538 5.195 50 0 HKAAMO CCOc1ccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889955 558302662 /nfs/dbraw/zinc/30/26/62/558302662.db2.gz CSJVIZUHSRAYOY-UHFFFAOYSA-N 1 1 402.538 5.195 50 0 HKAAMO CCc1ccc(C[NH+]2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1 ZINC000019889961 558302839 /nfs/dbraw/zinc/30/28/39/558302839.db2.gz ZQSGNJCMZDFONK-UHFFFAOYSA-N 1 1 411.593 5.695 50 0 HKAAMO CSc1ccc(CN2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889966 558302729 /nfs/dbraw/zinc/30/27/29/558302729.db2.gz VBSJZBGCYGALDL-UHFFFAOYSA-N 1 1 404.579 5.519 50 0 HKAAMO CSc1ccc(C[NH+]2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 ZINC000019889966 558302732 /nfs/dbraw/zinc/30/27/32/558302732.db2.gz VBSJZBGCYGALDL-UHFFFAOYSA-N 1 1 404.579 5.519 50 0 HKAAMO Cc1[nH]c2ccccc2c1C(=O)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019890858 558303002 /nfs/dbraw/zinc/30/30/02/558303002.db2.gz KFIFVJZALLPWMW-UHFFFAOYSA-N 1 1 423.560 5.066 50 0 HKAAMO O=C(N1CC[NH+](Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 ZINC000019899288 558304788 /nfs/dbraw/zinc/30/47/88/558304788.db2.gz SAQNPWDSFHCRNE-UHFFFAOYSA-N 1 1 401.535 5.227 50 0 HKAAMO S=C(Nc1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019907205 558305527 /nfs/dbraw/zinc/30/55/27/558305527.db2.gz NTKIHMFUMSIHNW-UHFFFAOYSA-N 1 1 421.997 5.444 50 0 HKAAMO Cc1ccc2c(cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2C)c1 ZINC000019913885 558307108 /nfs/dbraw/zinc/30/71/08/558307108.db2.gz SBYTWQHIUDRMKJ-UHFFFAOYSA-N 1 1 423.560 5.034 50 0 HKAAMO Cc1cccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019973523 558316480 /nfs/dbraw/zinc/31/64/80/558316480.db2.gz WVEMQGFAOFCAJG-UHFFFAOYSA-N 1 1 401.579 5.099 50 0 HKAAMO O=C(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000019999573 558317912 /nfs/dbraw/zinc/31/79/12/558317912.db2.gz OFXUSZAGTYQNBB-UHFFFAOYSA-N 1 1 414.593 5.137 50 0 HKAAMO O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020027007 558322571 /nfs/dbraw/zinc/32/25/71/558322571.db2.gz FFLWOULVFGWVPE-UHFFFAOYSA-N 1 1 410.439 5.516 50 0 HKAAMO CCc1ccccc1NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020098151 558331828 /nfs/dbraw/zinc/33/18/28/558331828.db2.gz ZTGWOSDWNCKKDJ-UHFFFAOYSA-N 1 1 415.606 5.353 50 0 HKAAMO CC(C)c1ccc(NC(=O)[C@@H](c2ccc3c(c2)OCO3)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000020108173 568588348 /nfs/dbraw/zinc/58/83/48/568588348.db2.gz VLJJAAOUTZFFRD-NXMSCROESA-N 1 1 408.542 5.196 50 0 HKAAMO COc1c2c(cc3c1[C@H](CC(=O)C(CC=C(C)C)CC=C(C)C)[N@H+](C)CC3)OCO2 ZINC000020111784 568588888 /nfs/dbraw/zinc/58/88/88/568588888.db2.gz IRNPTFWPDQAYHG-FQEVSTJZSA-N 1 1 413.558 5.241 50 0 biogenic HKAAMO COc1c2c(cc3c1[C@H](CC(=O)C(CC=C(C)C)CC=C(C)C)[N@@H+](C)CC3)OCO2 ZINC000020111784 568588891 /nfs/dbraw/zinc/58/88/91/568588891.db2.gz IRNPTFWPDQAYHG-FQEVSTJZSA-N 1 1 413.558 5.241 50 0 biogenic HKAAMO COc1c2c(cc3c1[C@@H](CC(=O)C(CC=C(C)C)CC=C(C)C)[N@H+](C)CC3)OCO2 ZINC000020111786 568588600 /nfs/dbraw/zinc/58/86/00/568588600.db2.gz IRNPTFWPDQAYHG-HXUWFJFHSA-N 1 1 413.558 5.241 50 0 biogenic HKAAMO COc1c2c(cc3c1[C@@H](CC(=O)C(CC=C(C)C)CC=C(C)C)[N@@H+](C)CC3)OCO2 ZINC000020111786 568588602 /nfs/dbraw/zinc/58/86/02/568588602.db2.gz IRNPTFWPDQAYHG-HXUWFJFHSA-N 1 1 413.558 5.241 50 0 biogenic HKAAMO COc1c2c(cc3c1[C@H](CC(=O)CC/C=C(\C)CCC=C(C)C)[N@H+](C)CC3)OCO2 ZINC000020112010 568588878 /nfs/dbraw/zinc/58/88/78/568588878.db2.gz LSLGUUOXZXVOPO-KYRPUADMSA-N 1 1 413.558 5.385 50 0 biogenic HKAAMO COc1c2c(cc3c1[C@H](CC(=O)CC/C=C(\C)CCC=C(C)C)[N@@H+](C)CC3)OCO2 ZINC000020112010 568588879 /nfs/dbraw/zinc/58/88/79/568588879.db2.gz LSLGUUOXZXVOPO-KYRPUADMSA-N 1 1 413.558 5.385 50 0 biogenic HKAAMO COc1c2c(cc3c1[C@@H](CC(=O)CC/C=C(\C)CCC=C(C)C)[N@H+](C)CC3)OCO2 ZINC000020112013 568588922 /nfs/dbraw/zinc/58/89/22/568588922.db2.gz LSLGUUOXZXVOPO-VGPFOZRTSA-N 1 1 413.558 5.385 50 0 biogenic HKAAMO COc1c2c(cc3c1[C@@H](CC(=O)CC/C=C(\C)CCC=C(C)C)[N@@H+](C)CC3)OCO2 ZINC000020112013 568588924 /nfs/dbraw/zinc/58/89/24/568588924.db2.gz LSLGUUOXZXVOPO-VGPFOZRTSA-N 1 1 413.558 5.385 50 0 biogenic HKAAMO COc1ccc(CC[N@@H+](C)Cc2c(-c3ccc(C)cc3)nc3sccn23)cc1OC ZINC000020131254 558337248 /nfs/dbraw/zinc/33/72/48/558337248.db2.gz FOUOXXMFHFPRQJ-UHFFFAOYSA-N 1 1 421.566 5.063 50 0 HKAAMO O=C(c1csc2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020149427 558340414 /nfs/dbraw/zinc/34/04/14/558340414.db2.gz UDSJKYZCLRGBLU-UHFFFAOYSA-N 1 1 412.558 5.449 50 0 HKAAMO O=C(Nc1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020166038 569007968 /nfs/dbraw/zinc/00/79/68/569007968.db2.gz WBWKKQXFSNDENL-UHFFFAOYSA-N 1 1 405.929 5.279 50 0 HKAAMO Clc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020178141 568592847 /nfs/dbraw/zinc/59/28/47/568592847.db2.gz SBTIBYLDVXFCDQ-NRFANRHFSA-N 1 1 424.331 5.965 50 0 HKAAMO Clc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3)o2)c2ccc(Cl)cc2)cc1 ZINC000020178143 568592889 /nfs/dbraw/zinc/59/28/89/568592889.db2.gz SBTIBYLDVXFCDQ-OAQYLSRUSA-N 1 1 424.331 5.965 50 0 HKAAMO Clc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1 ZINC000020178199 568592794 /nfs/dbraw/zinc/59/27/94/568592794.db2.gz MSWNIGHIQIUKJE-NRFANRHFSA-N 1 1 424.331 5.965 50 0 HKAAMO Clc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3)o2)c2cccc(Cl)c2)cc1 ZINC000020178201 568592821 /nfs/dbraw/zinc/59/28/21/568592821.db2.gz MSWNIGHIQIUKJE-OAQYLSRUSA-N 1 1 424.331 5.965 50 0 HKAAMO Fc1ccc([C@@H]([NH2+]CCC2=CCCCC2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178325 568592732 /nfs/dbraw/zinc/59/27/32/568592732.db2.gz SPZSYPFDEZUMJG-OAQYLSRUSA-N 1 1 411.908 6.099 50 0 HKAAMO Fc1ccc([C@H]([NH2+]CCC2=CCCCC2)c2nnc(-c3ccccc3Cl)o2)cc1 ZINC000020178327 568592762 /nfs/dbraw/zinc/59/27/62/568592762.db2.gz SPZSYPFDEZUMJG-NRFANRHFSA-N 1 1 411.908 6.099 50 0 HKAAMO Cc1ccc(CC[NH2+][C@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020178335 568592769 /nfs/dbraw/zinc/59/27/69/568592769.db2.gz UEGSWOARNYEWSY-QFIPXVFZSA-N 1 1 421.903 5.759 50 0 HKAAMO Cc1ccc(CC[NH2+][C@@H](c2nnc(-c3ccccc3Cl)o2)c2ccc(F)cc2)cc1 ZINC000020178337 568592780 /nfs/dbraw/zinc/59/27/80/568592780.db2.gz UEGSWOARNYEWSY-JOCHJYFZSA-N 1 1 421.903 5.759 50 0 HKAAMO Cc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000020192837 568593655 /nfs/dbraw/zinc/59/36/55/568593655.db2.gz CFIZBVFZOMLBEZ-SANMLTNESA-N 1 1 411.549 5.191 50 0 HKAAMO Cc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000020192839 568593687 /nfs/dbraw/zinc/59/36/87/568593687.db2.gz CFIZBVFZOMLBEZ-AREMUKBSSA-N 1 1 411.549 5.191 50 0 HKAAMO CCOc1ccc(-c2nc(C[NH+]3CCC(Oc4cccc(F)c4)CC3)c(C)o2)cc1 ZINC000020203854 558346560 /nfs/dbraw/zinc/34/65/60/558346560.db2.gz ONNCYYJAFYDTRU-UHFFFAOYSA-N 1 1 410.489 5.231 50 0 HKAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1cn(C)nc1-c1ccc(C2CCCCC2)cc1 ZINC000020204033 558346596 /nfs/dbraw/zinc/34/65/96/558346596.db2.gz UUFHTADOTQLUNF-UHFFFAOYSA-N 1 1 405.590 5.149 50 0 HKAAMO COc1ccc(-n2cc(C[NH2+]Cc3cc(C(C)C)no3)c(-c3cccc(F)c3)n2)cc1 ZINC000020212015 523328835 /nfs/dbraw/zinc/32/88/35/523328835.db2.gz ITVKBTHVZQHHSU-UHFFFAOYSA-N 1 1 420.488 5.088 50 0 HKAAMO Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000020267169 558352870 /nfs/dbraw/zinc/35/28/70/558352870.db2.gz PMACTQHJPZWVAM-UHFFFAOYSA-N 1 1 404.941 5.196 50 0 HKAAMO O=C(Nc1ccccc1-c1ccccc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020271793 558353173 /nfs/dbraw/zinc/35/31/73/558353173.db2.gz PQMWUVZVYHEPJQ-UHFFFAOYSA-N 1 1 418.540 6.164 50 0 HKAAMO C[N@@H+](CCNC(=O)c1cc2c(s1)c1ccccc1nc2Cl)C1CCCCC1 ZINC000020286227 568596993 /nfs/dbraw/zinc/59/69/93/568596993.db2.gz SPXBBCHTOKEGCF-UHFFFAOYSA-N 1 1 401.963 5.097 50 0 HKAAMO Cc1c2cc(C)ccc2oc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020295479 558354486 /nfs/dbraw/zinc/35/44/86/558354486.db2.gz CIRVSMFDWGCVHD-UHFFFAOYSA-N 1 1 424.544 5.597 50 0 HKAAMO Cc1ccc2nc(Cl)c3cc(C(=O)NCC[N@H+](C)Cc4ccccc4)sc3c2c1 ZINC000020321503 568598959 /nfs/dbraw/zinc/59/89/59/568598959.db2.gz JUEVTXULEOKHLN-UHFFFAOYSA-N 1 1 423.969 5.273 50 0 HKAAMO Cc1ccc2nc(Cl)c3cc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)sc3c2c1 ZINC000020321564 568598727 /nfs/dbraw/zinc/59/87/27/568598727.db2.gz UYSILJWRFSNIAA-CQSZACIVSA-N 1 1 401.963 5.016 50 0 HKAAMO Cc1ccc2nc(Cl)c3cc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)sc3c2c1 ZINC000020321570 568598894 /nfs/dbraw/zinc/59/88/94/568598894.db2.gz UYSILJWRFSNIAA-AWEZNQCLSA-N 1 1 401.963 5.016 50 0 HKAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](c4cccc(C)c4)C3)c(C)o2)cc2c1OCO2 ZINC000020327765 558355959 /nfs/dbraw/zinc/35/59/59/558355959.db2.gz UBTOTVUWIBEOGG-LJQANCHMSA-N 1 1 420.509 5.075 50 0 HKAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@H](c4cccc(C)c4)C3)c(C)o2)cc2c1OCO2 ZINC000020327770 558355887 /nfs/dbraw/zinc/35/58/87/558355887.db2.gz UBTOTVUWIBEOGG-IBGZPJMESA-N 1 1 420.509 5.075 50 0 HKAAMO CC[N@@H+](CCCNc1ncnc2onc(-c3ccc(Cl)cc3)c21)Cc1ccccc1 ZINC000020330045 568599054 /nfs/dbraw/zinc/59/90/54/568599054.db2.gz LMSRDFBTMQLBFF-UHFFFAOYSA-N 1 1 421.932 5.262 50 0 HKAAMO CCCOc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347253 558356651 /nfs/dbraw/zinc/35/66/51/558356651.db2.gz XOEWHNVUZACYJY-UHFFFAOYSA-N 1 1 414.549 5.023 50 0 HKAAMO Fc1ccc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(F)c1 ZINC000020363340 558358169 /nfs/dbraw/zinc/35/81/69/558358169.db2.gz BNZLDZWFYXJHJV-UHFFFAOYSA-N 1 1 423.532 5.069 50 0 HKAAMO O=C(Nc1cc(Cl)ccc1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020363981 558358476 /nfs/dbraw/zinc/35/84/76/558358476.db2.gz IQAFQKLAZLWOAU-UHFFFAOYSA-N 1 1 411.332 5.804 50 0 HKAAMO Fc1ccccc1N1CC[NH+](Cc2c(-c3ccc(Cl)cc3)nc3ccccn32)CC1 ZINC000020366179 568601299 /nfs/dbraw/zinc/60/12/99/568601299.db2.gz HDQMLQOSIBMXQV-UHFFFAOYSA-N 1 1 420.919 5.116 50 0 HKAAMO C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020388426 568604024 /nfs/dbraw/zinc/60/40/24/568604024.db2.gz AWHYQLPXMIHKLX-BGUDKVOASA-N 1 1 420.336 5.695 50 0 HKAAMO C[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020388432 558359119 /nfs/dbraw/zinc/35/91/19/558359119.db2.gz AWHYQLPXMIHKLX-QVXRUGPVSA-N 1 1 420.336 5.695 50 0 HKAAMO C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020388438 568603878 /nfs/dbraw/zinc/60/38/78/568603878.db2.gz AWHYQLPXMIHKLX-NBQKENEESA-N 1 1 420.336 5.695 50 0 HKAAMO C[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)[NH+]1CCCC1)OCO3 ZINC000020388444 558359018 /nfs/dbraw/zinc/35/90/18/558359018.db2.gz AWHYQLPXMIHKLX-KGRLDLLASA-N 1 1 420.336 5.695 50 0 HKAAMO CCCCCC1CCC(c2ccc(NC(=O)NCCC[NH+]3CCOCC3)cc2)CC1 ZINC000020405432 568604714 /nfs/dbraw/zinc/60/47/14/568604714.db2.gz AFLAAVANZVGQAM-UHFFFAOYSA-N 1 1 415.622 5.385 50 0 HKAAMO Cc1cccc2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc(-c3ccccc3)nc12 ZINC000020418350 524928033 /nfs/dbraw/zinc/92/80/33/524928033.db2.gz KYIQTFKLXKGCBI-UHFFFAOYSA-N 1 1 421.544 5.168 50 0 HKAAMO Cc1ccccc1-c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc2n1 ZINC000020419111 558361883 /nfs/dbraw/zinc/36/18/83/558361883.db2.gz HFQJHFRUPFLDEM-UHFFFAOYSA-N 1 1 421.544 5.168 50 0 HKAAMO Cc1cccc(Cl)c1NC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020421513 558362041 /nfs/dbraw/zinc/36/20/41/558362041.db2.gz KAJLLRSYYIYNHV-UHFFFAOYSA-N 1 1 419.956 5.588 50 0 HKAAMO O=C(CCc1c[nH]c2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020426436 558362100 /nfs/dbraw/zinc/36/21/00/558362100.db2.gz JYVCENWZKUDKCM-UHFFFAOYSA-N 1 1 423.560 5.034 50 0 HKAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432050 558362685 /nfs/dbraw/zinc/36/26/85/558362685.db2.gz WQVCTQFONPCJLZ-UHFFFAOYSA-N 1 1 403.913 5.260 50 0 HKAAMO Cc1ccc(NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1Cl ZINC000020432054 525132923 /nfs/dbraw/zinc/13/29/23/525132923.db2.gz JHCPZRKRIPMOHL-UHFFFAOYSA-N 1 1 417.940 5.568 50 0 HKAAMO Cc1ccc(F)cc1NC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432063 558362677 /nfs/dbraw/zinc/36/26/77/558362677.db2.gz KCWLGUGXYKTCOT-UHFFFAOYSA-N 1 1 401.485 5.054 50 0 HKAAMO CC(C)c1ccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020442748 568607715 /nfs/dbraw/zinc/60/77/15/568607715.db2.gz YUYLFAATNCBYJG-UHFFFAOYSA-N 1 1 413.565 5.749 50 0 HKAAMO CCCCC[C@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447097 568608550 /nfs/dbraw/zinc/60/85/50/568608550.db2.gz YBBUYAZPURHBMG-ZEQRLZLVSA-N 1 1 419.968 5.363 50 0 HKAAMO CCCCC[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447100 568608524 /nfs/dbraw/zinc/60/85/24/568608524.db2.gz YBBUYAZPURHBMG-BJKOFHAPSA-N 1 1 419.968 5.363 50 0 HKAAMO CCCCC[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447103 568608545 /nfs/dbraw/zinc/60/85/45/568608545.db2.gz YBBUYAZPURHBMG-RPWUZVMVSA-N 1 1 419.968 5.363 50 0 HKAAMO CCCCC[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447106 568608535 /nfs/dbraw/zinc/60/85/35/568608535.db2.gz YBBUYAZPURHBMG-DNQXCXABSA-N 1 1 419.968 5.363 50 0 HKAAMO CCc1ccc([C@@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447358 568608434 /nfs/dbraw/zinc/60/84/34/568608434.db2.gz AKSXPENUDDJCCQ-DQEYMECFSA-N 1 1 416.005 5.252 50 0 HKAAMO CCc1ccc([C@](O)(CC(C)C)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447361 568608555 /nfs/dbraw/zinc/60/85/55/568608555.db2.gz AKSXPENUDDJCCQ-LOSJGSFVSA-N 1 1 416.005 5.252 50 0 HKAAMO CCc1ccc([C@@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447364 568608520 /nfs/dbraw/zinc/60/85/20/568608520.db2.gz AKSXPENUDDJCCQ-RPBOFIJWSA-N 1 1 416.005 5.252 50 0 HKAAMO CCc1ccc([C@](O)(CC(C)C)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020447366 568608508 /nfs/dbraw/zinc/60/85/08/568608508.db2.gz AKSXPENUDDJCCQ-JWQCQUIFSA-N 1 1 416.005 5.252 50 0 HKAAMO CCC[C@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447378 568608669 /nfs/dbraw/zinc/60/86/69/568608669.db2.gz WXSTYJYWFHSUMR-VXKWHMMOSA-N 1 1 408.369 5.097 50 0 HKAAMO CCC[C@@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447381 568608802 /nfs/dbraw/zinc/60/88/02/568608802.db2.gz WXSTYJYWFHSUMR-FCHUYYIVSA-N 1 1 408.369 5.097 50 0 HKAAMO CCC[C@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447385 568608756 /nfs/dbraw/zinc/60/87/56/568608756.db2.gz WXSTYJYWFHSUMR-YADHBBJMSA-N 1 1 408.369 5.097 50 0 HKAAMO CCC[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447387 568608807 /nfs/dbraw/zinc/60/88/07/568608807.db2.gz WXSTYJYWFHSUMR-FGZHOGPDSA-N 1 1 408.369 5.097 50 0 HKAAMO CCCC[C@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447390 568608738 /nfs/dbraw/zinc/60/87/38/568608738.db2.gz BDFXCUHFXTXXJL-GOTSBHOMSA-N 1 1 422.396 5.487 50 0 HKAAMO CCCC[C@@](O)(c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447393 568608743 /nfs/dbraw/zinc/60/87/43/568608743.db2.gz BDFXCUHFXTXXJL-XZOQPEGZSA-N 1 1 422.396 5.487 50 0 HKAAMO CCCC[C@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447396 568608724 /nfs/dbraw/zinc/60/87/24/568608724.db2.gz BDFXCUHFXTXXJL-PKTZIBPZSA-N 1 1 422.396 5.487 50 0 HKAAMO CCCC[C@@](O)(c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020447398 568608778 /nfs/dbraw/zinc/60/87/78/568608778.db2.gz BDFXCUHFXTXXJL-DHIUTWEWSA-N 1 1 422.396 5.487 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)c(C)o2)cc1C ZINC000020450490 558365243 /nfs/dbraw/zinc/36/52/43/558365243.db2.gz NMQBXRQUFCEYQM-LJQANCHMSA-N 1 1 417.509 5.488 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)c(C)o2)cc1C ZINC000020450492 558365327 /nfs/dbraw/zinc/36/53/27/558365327.db2.gz NMQBXRQUFCEYQM-IBGZPJMESA-N 1 1 417.509 5.488 50 0 HKAAMO C=C1C(Nc2ccc([NH+](CC)CC)cc2C)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020465719 568610051 /nfs/dbraw/zinc/61/00/51/568610051.db2.gz WLTXPRUNJNRKTK-UHFFFAOYSA-N 1 1 411.571 5.043 50 0 HKAAMO C=C1C(Nc2ccc([NH+](CC)CC)cc2C)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000020465789 568610100 /nfs/dbraw/zinc/61/01/00/568610100.db2.gz SQJCMTNGRRXWMJ-UHFFFAOYSA-N 1 1 417.962 5.080 50 0 HKAAMO Cc1ccc2[nH]cc(C(=O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020479572 558374878 /nfs/dbraw/zinc/37/48/78/558374878.db2.gz IZVDGVCYDLOQTJ-UHFFFAOYSA-N 1 1 423.560 5.066 50 0 HKAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020480016 558374941 /nfs/dbraw/zinc/37/49/41/558374941.db2.gz NHNZAVDTBQWIPM-OAQYLSRUSA-N 1 1 423.560 5.146 50 0 HKAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020480018 558374966 /nfs/dbraw/zinc/37/49/66/558374966.db2.gz NHNZAVDTBQWIPM-NRFANRHFSA-N 1 1 423.560 5.146 50 0 HKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccccc1C(F)(F)F)[NH2+]C2 ZINC000020507343 558381768 /nfs/dbraw/zinc/38/17/68/558381768.db2.gz SLPJGMXSYHFUSY-QFIPXVFZSA-N 1 1 416.443 5.486 50 0 HKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccccc1C(F)(F)F)[NH2+]C2 ZINC000020507345 520798241 /nfs/dbraw/zinc/79/82/41/520798241.db2.gz SLPJGMXSYHFUSY-JOCHJYFZSA-N 1 1 416.443 5.486 50 0 HKAAMO O=C(/C=C/c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509490 558382035 /nfs/dbraw/zinc/38/20/35/558382035.db2.gz MXCBVYDXKBZYPQ-DTQAZKPQSA-N 1 1 416.952 5.287 50 0 HKAAMO O=C(/C=C/c1cccc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509493 558381979 /nfs/dbraw/zinc/38/19/79/558381979.db2.gz BNAWQOLSAALCEM-CCEZHUSRSA-N 1 1 416.952 5.287 50 0 HKAAMO O=C(/C=C/c1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509496 558382117 /nfs/dbraw/zinc/38/21/17/558382117.db2.gz LVEKLFONNZHJRA-FOCLMDBBSA-N 1 1 416.952 5.287 50 0 HKAAMO O=C(Nc1ccc2c(c1)CCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509530 558382061 /nfs/dbraw/zinc/38/20/61/558382061.db2.gz ABPJDTCPABFDHS-UHFFFAOYSA-N 1 1 411.549 5.114 50 0 HKAAMO O=C(c1cccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509547 558381948 /nfs/dbraw/zinc/38/19/48/558381948.db2.gz JKLZUPLGMOFEIU-UHFFFAOYSA-N 1 1 406.529 5.387 50 0 HKAAMO O=C(N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000020512718 558382398 /nfs/dbraw/zinc/38/23/98/558382398.db2.gz AIMHLCPTZVRJGS-UHFFFAOYSA-N 1 1 412.577 5.117 50 0 HKAAMO CCc1cc(C[NH2+]Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)on1 ZINC000020515122 558382690 /nfs/dbraw/zinc/38/26/90/558382690.db2.gz AOCPCQGOAQOFHB-UHFFFAOYSA-N 1 1 410.880 5.172 50 0 HKAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000020532096 568627887 /nfs/dbraw/zinc/62/78/87/568627887.db2.gz FPLKGXYGMABAFP-UHFFFAOYSA-N 1 1 417.475 5.008 50 0 HKAAMO O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532112 568627829 /nfs/dbraw/zinc/62/78/29/568627829.db2.gz TWYOHVHNCJSNKD-KRWDZBQOSA-N 1 1 417.475 5.008 50 0 HKAAMO O=C(Nc1ccccc1C(F)(F)F)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532113 568627820 /nfs/dbraw/zinc/62/78/20/568627820.db2.gz TWYOHVHNCJSNKD-QGZVFWFLSA-N 1 1 417.475 5.008 50 0 HKAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532114 568627725 /nfs/dbraw/zinc/62/77/25/568627725.db2.gz GQWUOZNRYNHUKD-KRWDZBQOSA-N 1 1 417.475 5.008 50 0 HKAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[C@H](C[N@H+]2CCc3ccccc3C2)C1 ZINC000020532115 568627914 /nfs/dbraw/zinc/62/79/14/568627914.db2.gz GQWUOZNRYNHUKD-QGZVFWFLSA-N 1 1 417.475 5.008 50 0 HKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCCN(c4ccccc4C)CC3)c(C)o2)cc1 ZINC000020539159 520815923 /nfs/dbraw/zinc/81/59/23/520815923.db2.gz YAKKHZVVJWGXNH-UHFFFAOYSA-N 1 1 405.542 5.069 50 0 HKAAMO Cc1cccc(-c2ccc(NC(=O)C3CC[NH+](C4CCN(C(C)C)CC4)CC3)cc2)c1 ZINC000020542081 524110183 /nfs/dbraw/zinc/11/01/83/524110183.db2.gz PIVBYAXBHSYJLL-UHFFFAOYSA-N 1 1 419.613 5.185 50 0 HKAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc3ccc4cccnc4c3[nH]2)o1 ZINC000020575554 523177764 /nfs/dbraw/zinc/17/77/64/523177764.db2.gz KDZALDFJQRPMBQ-LJQANCHMSA-N 1 1 416.525 5.004 50 0 HKAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2cc3ccc4cccnc4c3[nH]2)o1 ZINC000020575555 523029409 /nfs/dbraw/zinc/02/94/09/523029409.db2.gz KDZALDFJQRPMBQ-IBGZPJMESA-N 1 1 416.525 5.004 50 0 HKAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000020594997 521363470 /nfs/dbraw/zinc/36/34/70/521363470.db2.gz DBTJIKWMEMMHHZ-UHFFFAOYSA-N 1 1 421.932 5.295 50 0 HKAAMO CCCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000020595005 521364250 /nfs/dbraw/zinc/36/42/50/521364250.db2.gz VNQSOWSJVSYWLX-UHFFFAOYSA-N 1 1 421.932 5.295 50 0 HKAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020599607 526728589 /nfs/dbraw/zinc/72/85/89/526728589.db2.gz FWEYLYYRRVKQTH-OAHLLOKOSA-N 1 1 409.436 5.449 50 0 HKAAMO Cc1oc(-c2cc(F)cc(F)c2)nc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020599608 526728844 /nfs/dbraw/zinc/72/88/44/526728844.db2.gz FWEYLYYRRVKQTH-HNNXBMFYSA-N 1 1 409.436 5.449 50 0 HKAAMO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020600493 526932554 /nfs/dbraw/zinc/93/25/54/526932554.db2.gz FPQYGNSJVDUEFQ-LJQANCHMSA-N 1 1 417.944 5.295 50 0 HKAAMO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccn3-c3ccccn3)C2)cc1 ZINC000020600494 526933523 /nfs/dbraw/zinc/93/35/23/526933523.db2.gz FPQYGNSJVDUEFQ-IBGZPJMESA-N 1 1 417.944 5.295 50 0 HKAAMO CCCCN(C)c1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000020661870 568639199 /nfs/dbraw/zinc/63/91/99/568639199.db2.gz FZPCTQPCCRIYGD-UHFFFAOYSA-N 1 1 424.470 6.343 50 0 HKAAMO Fc1ccc(OCCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020840197 558417106 /nfs/dbraw/zinc/41/71/06/558417106.db2.gz NBRCGYXCBNFBSK-UHFFFAOYSA-N 1 1 418.556 5.392 50 0 HKAAMO c1ccc(C(c2ccccc2)N2CC[NH+](CCOc3cccc4ccccc43)CC2)cc1 ZINC000020841158 558417246 /nfs/dbraw/zinc/41/72/46/558417246.db2.gz SNOAIVYYAVGEGQ-UHFFFAOYSA-N 1 1 422.572 5.626 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1 ZINC000020854200 558417465 /nfs/dbraw/zinc/41/74/65/558417465.db2.gz XEFVZADSZRPIFG-UHFFFAOYSA-N 1 1 416.525 5.093 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3cccc(-n4nc(C)cc4C)c3)c(C)o2)cc1 ZINC000020854200 558417468 /nfs/dbraw/zinc/41/74/68/558417468.db2.gz XEFVZADSZRPIFG-UHFFFAOYSA-N 1 1 416.525 5.093 50 0 HKAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)c1cc2c(s1)-c1ccccc1OC2 ZINC000020858346 568645676 /nfs/dbraw/zinc/64/56/76/568645676.db2.gz IEBFVZCQJMRWQX-UHFFFAOYSA-N 1 1 422.550 5.075 50 0 HKAAMO CC(C)[N@@H+](CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2)Cc1ccccc1 ZINC000020858352 568645745 /nfs/dbraw/zinc/64/57/45/568645745.db2.gz CKQLVIAAONSBGS-UHFFFAOYSA-N 1 1 420.578 5.338 50 0 HKAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000020893142 558420051 /nfs/dbraw/zinc/42/00/51/558420051.db2.gz MDPKHDXFJQEIRA-UHFFFAOYSA-N 1 1 404.558 5.109 50 0 HKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000020908937 558421804 /nfs/dbraw/zinc/42/18/04/558421804.db2.gz LZOPBXHPYWINKI-QGZVFWFLSA-N 1 1 407.901 5.824 50 0 HKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000020908940 558421658 /nfs/dbraw/zinc/42/16/58/558421658.db2.gz LZOPBXHPYWINKI-KRWDZBQOSA-N 1 1 407.901 5.824 50 0 HKAAMO Clc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)cc1 ZINC000020918406 558423056 /nfs/dbraw/zinc/42/30/56/558423056.db2.gz GBWVZNROGHUIMZ-QGZVFWFLSA-N 1 1 423.973 5.357 50 0 HKAAMO Clc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)cc1 ZINC000020918414 558423051 /nfs/dbraw/zinc/42/30/51/558423051.db2.gz GBWVZNROGHUIMZ-KRWDZBQOSA-N 1 1 423.973 5.357 50 0 HKAAMO O=C(c1ccc(OC2CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)cc1)N1CCCC1 ZINC000020919838 558423373 /nfs/dbraw/zinc/42/33/73/558423373.db2.gz KNBQJKHOQNVEEA-PYCFMQQDSA-N 1 1 424.972 5.046 50 0 HKAAMO Cc1ccc2[nH]c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2c1 ZINC000020945548 558424828 /nfs/dbraw/zinc/42/48/28/558424828.db2.gz QTMKEKBZMJXBKB-UHFFFAOYSA-N 1 1 409.533 5.024 50 0 HKAAMO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000020951408 568653627 /nfs/dbraw/zinc/65/36/27/568653627.db2.gz KMQWRYJANKHKHO-RUZDIDTESA-N 1 1 412.558 5.431 50 0 HKAAMO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000020951408 568653629 /nfs/dbraw/zinc/65/36/29/568653629.db2.gz KMQWRYJANKHKHO-RUZDIDTESA-N 1 1 412.558 5.431 50 0 HKAAMO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000020951412 568653623 /nfs/dbraw/zinc/65/36/23/568653623.db2.gz KMQWRYJANKHKHO-VWLOTQADSA-N 1 1 412.558 5.431 50 0 HKAAMO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000020951412 568653624 /nfs/dbraw/zinc/65/36/24/568653624.db2.gz KMQWRYJANKHKHO-VWLOTQADSA-N 1 1 412.558 5.431 50 0 HKAAMO Fc1ccc([C@@H]([NH2+]CCc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988473 568655545 /nfs/dbraw/zinc/65/55/45/568655545.db2.gz QZKULWGHIIRENR-OAQYLSRUSA-N 1 1 407.876 5.451 50 0 HKAAMO Fc1ccc([C@H]([NH2+]CCc2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 ZINC000020988476 568655596 /nfs/dbraw/zinc/65/55/96/568655596.db2.gz QZKULWGHIIRENR-NRFANRHFSA-N 1 1 407.876 5.451 50 0 HKAAMO O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CC[NH+](C/C(Cl)=C/c2ccccc2)CC1 ZINC000020998026 558427451 /nfs/dbraw/zinc/42/74/51/558427451.db2.gz UAEFNWXKVURRCS-QNGOZBTKSA-N 1 1 420.944 5.007 50 0 HKAAMO CC[NH+](CC)c1ccc(Nc2nnc(-n3nc(C)cc3C)c3ccccc32)c(C)c1 ZINC000021034372 568659720 /nfs/dbraw/zinc/65/97/20/568659720.db2.gz NNLLMTCSHDSXBJ-UHFFFAOYSA-N 1 1 400.530 5.331 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cccc(CC)c1)[C@H]2c1ccccc1 ZINC000021045510 568660015 /nfs/dbraw/zinc/66/00/15/568660015.db2.gz PYQDNDZAZIJEAD-VWLOTQADSA-N 1 1 418.606 5.768 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cccc(CC)c1)[C@H]2c1ccccc1 ZINC000021045510 568660019 /nfs/dbraw/zinc/66/00/19/568660019.db2.gz PYQDNDZAZIJEAD-VWLOTQADSA-N 1 1 418.606 5.768 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cccc(CC)c1)[C@@H]2c1ccccc1 ZINC000021045516 568660177 /nfs/dbraw/zinc/66/01/77/568660177.db2.gz PYQDNDZAZIJEAD-RUZDIDTESA-N 1 1 418.606 5.768 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cccc(CC)c1)[C@@H]2c1ccccc1 ZINC000021045516 568660178 /nfs/dbraw/zinc/66/01/78/568660178.db2.gz PYQDNDZAZIJEAD-RUZDIDTESA-N 1 1 418.606 5.768 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccccc1CC)[C@H]2c1ccccc1 ZINC000021045522 568660101 /nfs/dbraw/zinc/66/01/01/568660101.db2.gz SDDMHSJVDAZMCU-VWLOTQADSA-N 1 1 418.606 5.768 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccccc1CC)[C@H]2c1ccccc1 ZINC000021045522 568660104 /nfs/dbraw/zinc/66/01/04/568660104.db2.gz SDDMHSJVDAZMCU-VWLOTQADSA-N 1 1 418.606 5.768 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccccc1CC)[C@@H]2c1ccccc1 ZINC000021045528 568660130 /nfs/dbraw/zinc/66/01/30/568660130.db2.gz SDDMHSJVDAZMCU-RUZDIDTESA-N 1 1 418.606 5.768 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccccc1CC)[C@@H]2c1ccccc1 ZINC000021045528 568660133 /nfs/dbraw/zinc/66/01/33/568660133.db2.gz SDDMHSJVDAZMCU-RUZDIDTESA-N 1 1 418.606 5.768 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(OC)cc1)[C@@H]2c1ccccc1 ZINC000021045583 568659980 /nfs/dbraw/zinc/65/99/80/568659980.db2.gz YCPOKQGSPDDION-XMMPIXPASA-N 1 1 420.578 5.214 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)[C@@H]2c1ccccc1 ZINC000021045583 568659983 /nfs/dbraw/zinc/65/99/83/568659983.db2.gz YCPOKQGSPDDION-XMMPIXPASA-N 1 1 420.578 5.214 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1ccc(OC)cc1)[C@H]2c1ccccc1 ZINC000021045589 568660061 /nfs/dbraw/zinc/66/00/61/568660061.db2.gz YCPOKQGSPDDION-DEOSSOPVSA-N 1 1 420.578 5.214 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)[C@H]2c1ccccc1 ZINC000021045589 568660065 /nfs/dbraw/zinc/66/00/65/568660065.db2.gz YCPOKQGSPDDION-DEOSSOPVSA-N 1 1 420.578 5.214 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cc(C)ccc1C)[C@@H]2c1ccccc1 ZINC000021045595 568660045 /nfs/dbraw/zinc/66/00/45/568660045.db2.gz OFBSLTYLQLYWDT-RUZDIDTESA-N 1 1 418.606 5.822 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)[C@@H]2c1ccccc1 ZINC000021045595 568660047 /nfs/dbraw/zinc/66/00/47/568660047.db2.gz OFBSLTYLQLYWDT-RUZDIDTESA-N 1 1 418.606 5.822 50 0 HKAAMO CCc1c(C)sc2c1CC[N@H+](CC(=O)Nc1cc(C)ccc1C)[C@H]2c1ccccc1 ZINC000021045601 568660144 /nfs/dbraw/zinc/66/01/44/568660144.db2.gz OFBSLTYLQLYWDT-VWLOTQADSA-N 1 1 418.606 5.822 50 0 HKAAMO CCc1c(C)sc2c1CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)[C@H]2c1ccccc1 ZINC000021045601 568660147 /nfs/dbraw/zinc/66/01/47/568660147.db2.gz OFBSLTYLQLYWDT-VWLOTQADSA-N 1 1 418.606 5.822 50 0 HKAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)sc2C1 ZINC000021294602 568686939 /nfs/dbraw/zinc/68/69/39/568686939.db2.gz NQFXOCVJWSZAQA-UHFFFAOYSA-N 1 1 421.444 5.052 50 0 HKAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)sc2C1 ZINC000021294602 568686941 /nfs/dbraw/zinc/68/69/41/568686941.db2.gz NQFXOCVJWSZAQA-UHFFFAOYSA-N 1 1 421.444 5.052 50 0 HKAAMO O=C(CCSc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021548876 568713976 /nfs/dbraw/zinc/71/39/76/568713976.db2.gz PQCBGHRZSDRWIT-UHFFFAOYSA-N 1 1 416.590 5.103 50 0 HKAAMO Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)C[NH+]3CCCCC3)n2)cc1 ZINC000021659580 568735434 /nfs/dbraw/zinc/73/54/34/568735434.db2.gz DJMKRBHKOZGHPV-UHFFFAOYSA-N 1 1 420.944 5.197 50 0 HKAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)[nH+]1 ZINC000021794031 568753511 /nfs/dbraw/zinc/75/35/11/568753511.db2.gz WOSNFAVTFQFBJY-UHFFFAOYSA-N 1 1 403.530 5.144 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(N(C)C)[nH+]1 ZINC000021794031 568753513 /nfs/dbraw/zinc/75/35/13/568753513.db2.gz WOSNFAVTFQFBJY-UHFFFAOYSA-N 1 1 403.530 5.144 50 0 HKAAMO CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc1 ZINC000021794101 568753491 /nfs/dbraw/zinc/75/34/91/568753491.db2.gz OYRKGXMLMCWZFX-UHFFFAOYSA-N 1 1 419.529 5.026 50 0 HKAAMO CCCCOc1ccc(C(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc1 ZINC000021794101 568753492 /nfs/dbraw/zinc/75/34/92/568753492.db2.gz OYRKGXMLMCWZFX-UHFFFAOYSA-N 1 1 419.529 5.026 50 0 HKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000021794195 568753377 /nfs/dbraw/zinc/75/33/77/568753377.db2.gz HSCMGLYJWVOXED-UHFFFAOYSA-N 1 1 407.905 5.035 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794195 568753379 /nfs/dbraw/zinc/75/33/79/568753379.db2.gz HSCMGLYJWVOXED-UHFFFAOYSA-N 1 1 407.905 5.035 50 0 HKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000021794199 568753327 /nfs/dbraw/zinc/75/33/27/568753327.db2.gz YYIOGKINBYGTIA-UHFFFAOYSA-N 1 1 407.905 5.035 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794199 568753329 /nfs/dbraw/zinc/75/33/29/568753329.db2.gz YYIOGKINBYGTIA-UHFFFAOYSA-N 1 1 407.905 5.035 50 0 HKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH+]1 ZINC000021794203 568753333 /nfs/dbraw/zinc/75/33/33/568753333.db2.gz AZXZLAARPAFOPD-UHFFFAOYSA-N 1 1 407.905 5.035 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021794203 568753334 /nfs/dbraw/zinc/75/33/34/568753334.db2.gz AZXZLAARPAFOPD-UHFFFAOYSA-N 1 1 407.905 5.035 50 0 HKAAMO Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)[nH+]2)cc1 ZINC000021794282 568753321 /nfs/dbraw/zinc/75/33/21/568753321.db2.gz GRUAAYHOUJIYGV-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCCC3)[nH+]c(C)n2)cc1 ZINC000021794282 568753323 /nfs/dbraw/zinc/75/33/23/568753323.db2.gz GRUAAYHOUJIYGV-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021794286 568753389 /nfs/dbraw/zinc/75/33/89/568753389.db2.gz LYQAJOXPVLSSSY-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021794286 568753391 /nfs/dbraw/zinc/75/33/91/568753391.db2.gz LYQAJOXPVLSSSY-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794292 568753481 /nfs/dbraw/zinc/75/34/81/568753481.db2.gz MDSUZLWEBBJKKR-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021794292 568753483 /nfs/dbraw/zinc/75/34/83/568753483.db2.gz MDSUZLWEBBJKKR-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000021794296 568753440 /nfs/dbraw/zinc/75/34/40/568753440.db2.gz CQWYXEHHBQWQIF-UHFFFAOYSA-N 1 1 415.541 5.388 50 0 HKAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1C ZINC000021794296 568753441 /nfs/dbraw/zinc/75/34/41/568753441.db2.gz CQWYXEHHBQWQIF-UHFFFAOYSA-N 1 1 415.541 5.388 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000021794340 568753516 /nfs/dbraw/zinc/75/35/16/568753516.db2.gz LDPPYBFKTUMOEI-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794340 568753518 /nfs/dbraw/zinc/75/35/18/568753518.db2.gz LDPPYBFKTUMOEI-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000021794345 568753464 /nfs/dbraw/zinc/75/34/64/568753464.db2.gz FVCNWOOGMPOKGD-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794345 568753465 /nfs/dbraw/zinc/75/34/65/568753465.db2.gz FVCNWOOGMPOKGD-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021794350 568753356 /nfs/dbraw/zinc/75/33/56/568753356.db2.gz CCOXXEHFGUAAHM-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)[nH+]1 ZINC000021794350 568753354 /nfs/dbraw/zinc/75/33/54/568753354.db2.gz CCOXXEHFGUAAHM-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)[nH+]1 ZINC000021795457 568753841 /nfs/dbraw/zinc/75/38/41/568753841.db2.gz KJBJRAUWVVZLHX-UHFFFAOYSA-N 1 1 422.920 5.426 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(N2CCCC2)[nH+]1 ZINC000021795457 568753843 /nfs/dbraw/zinc/75/38/43/568753843.db2.gz KJBJRAUWVVZLHX-UHFFFAOYSA-N 1 1 422.920 5.426 50 0 HKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795464 568753862 /nfs/dbraw/zinc/75/38/62/568753862.db2.gz YVRBOVFQEDFYET-UHFFFAOYSA-N 1 1 402.502 5.081 50 0 HKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021795464 568753863 /nfs/dbraw/zinc/75/38/63/568753863.db2.gz YVRBOVFQEDFYET-UHFFFAOYSA-N 1 1 402.502 5.081 50 0 HKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021795468 568753702 /nfs/dbraw/zinc/75/37/02/568753702.db2.gz ZFTWYYKYWHKHJB-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021795468 568753703 /nfs/dbraw/zinc/75/37/03/568753703.db2.gz ZFTWYYKYWHKHJB-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)[nH+]1 ZINC000021795477 568753715 /nfs/dbraw/zinc/75/37/15/568753715.db2.gz LIBGJLHBAUWGMG-UHFFFAOYSA-N 1 1 422.920 5.426 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(N2CCCC2)[nH+]1 ZINC000021795477 568753717 /nfs/dbraw/zinc/75/37/17/568753717.db2.gz LIBGJLHBAUWGMG-UHFFFAOYSA-N 1 1 422.920 5.426 50 0 HKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1C ZINC000021795483 568753821 /nfs/dbraw/zinc/75/38/21/568753821.db2.gz DXXCFPQATWWURZ-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1C ZINC000021795483 568753823 /nfs/dbraw/zinc/75/38/23/568753823.db2.gz DXXCFPQATWWURZ-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)[nH+]1 ZINC000021795510 568753780 /nfs/dbraw/zinc/75/37/80/568753780.db2.gz WGFHVHJSIKTZMX-UHFFFAOYSA-N 1 1 420.492 5.302 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000021795510 568753782 /nfs/dbraw/zinc/75/37/82/568753782.db2.gz WGFHVHJSIKTZMX-UHFFFAOYSA-N 1 1 420.492 5.302 50 0 HKAAMO Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000021795800 568753682 /nfs/dbraw/zinc/75/36/82/568753682.db2.gz TYNCQNYHQQCCLJ-UHFFFAOYSA-N 1 1 410.909 5.200 50 0 HKAAMO Cc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(N(C)C)[nH+]c(C)n2)cc1 ZINC000021795800 568753684 /nfs/dbraw/zinc/75/36/84/568753684.db2.gz TYNCQNYHQQCCLJ-UHFFFAOYSA-N 1 1 410.909 5.200 50 0 HKAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2N2CCc3ccccc3C2)n1-c1ccccc1 ZINC000021797902 132473432 /nfs/dbraw/zinc/47/34/32/132473432.db2.gz BZNPEHLJUCHEIO-UHFFFAOYSA-N 1 1 402.501 5.650 50 0 HKAAMO Fc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCc3ccccc3C2)cc1 ZINC000021797932 558951561 /nfs/dbraw/zinc/95/15/61/558951561.db2.gz JLJUECPDMRIAPR-UHFFFAOYSA-N 1 1 420.491 5.789 50 0 HKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1ccc(F)cc1 ZINC000021797958 558951573 /nfs/dbraw/zinc/95/15/73/558951573.db2.gz JATWKLAHPQRDQZ-UHFFFAOYSA-N 1 1 408.480 6.147 50 0 HKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCCc1ccccc1 ZINC000021797963 558951551 /nfs/dbraw/zinc/95/15/51/558951551.db2.gz GDJGHKAYWZMXPF-UHFFFAOYSA-N 1 1 404.517 6.051 50 0 HKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCc2ccccc2C1 ZINC000021798043 558449852 /nfs/dbraw/zinc/44/98/52/558449852.db2.gz HLKMJVVGFPMMRB-UHFFFAOYSA-N 1 1 416.528 5.959 50 0 HKAAMO Clc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1ccco1 ZINC000021798091 568754057 /nfs/dbraw/zinc/75/40/57/568754057.db2.gz ICSMDOVPVHVXPX-UHFFFAOYSA-N 1 1 400.869 5.946 50 0 HKAAMO CCOCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1Cl ZINC000021798102 568754042 /nfs/dbraw/zinc/75/40/42/568754042.db2.gz WVBIPXIVAOXHTM-UHFFFAOYSA-N 1 1 406.917 5.579 50 0 HKAAMO CC1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021798128 558449846 /nfs/dbraw/zinc/44/98/46/558449846.db2.gz XQIGEOMUONJGRD-UHFFFAOYSA-N 1 1 402.929 5.977 50 0 HKAAMO Clc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCCCCC1 ZINC000021798142 568753962 /nfs/dbraw/zinc/75/39/62/568753962.db2.gz VKQFLMPHPVBWTI-UHFFFAOYSA-N 1 1 402.929 6.121 50 0 HKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1ccc(C)cc1 ZINC000021798176 568754051 /nfs/dbraw/zinc/75/40/51/568754051.db2.gz BUDNEWXATKBBBZ-UHFFFAOYSA-N 1 1 420.516 6.017 50 0 HKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N(C)Cc1ccccc1 ZINC000021798222 568753979 /nfs/dbraw/zinc/75/39/79/568753979.db2.gz VACCARDGOXUKOF-UHFFFAOYSA-N 1 1 420.516 5.733 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCc3ccccc3C2)c1 ZINC000021798250 558449929 /nfs/dbraw/zinc/44/99/29/558449929.db2.gz JELWMAZYNABSAI-UHFFFAOYSA-N 1 1 416.528 5.959 50 0 HKAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000021805358 558450355 /nfs/dbraw/zinc/45/03/55/558450355.db2.gz QJOPRDZYYPKWAF-GOSISDBHSA-N 1 1 415.946 5.014 50 0 HKAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000021805362 558450396 /nfs/dbraw/zinc/45/03/96/558450396.db2.gz QJOPRDZYYPKWAF-SFHVURJKSA-N 1 1 415.946 5.014 50 0 HKAAMO CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000021868987 568756140 /nfs/dbraw/zinc/75/61/40/568756140.db2.gz AXPXLXGROJKTGC-LJQANCHMSA-N 1 1 408.571 5.108 50 0 HKAAMO CC[C@H](NC(=O)Nc1ccc(C)cc1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000021868990 568756076 /nfs/dbraw/zinc/75/60/76/568756076.db2.gz AXPXLXGROJKTGC-IBGZPJMESA-N 1 1 408.571 5.108 50 0 HKAAMO Clc1ccc(-c2nnc([C@H](c3ccccc3)[N@@H+]3CCc4ccccc4C3)o2)cc1 ZINC000021916563 571315231 /nfs/dbraw/zinc/31/52/31/571315231.db2.gz GOZOCIAENCFFCM-QFIPXVFZSA-N 1 1 401.897 5.538 50 0 HKAAMO Clc1ccc(-c2nnc([C@H](c3ccccc3)[N@H+]3CCc4ccccc4C3)o2)cc1 ZINC000021916563 571315233 /nfs/dbraw/zinc/31/52/33/571315233.db2.gz GOZOCIAENCFFCM-QFIPXVFZSA-N 1 1 401.897 5.538 50 0 HKAAMO Clc1ccc(-c2nnc([C@@H](c3ccccc3)[N@@H+]3CCc4ccccc4C3)o2)cc1 ZINC000021916568 571315225 /nfs/dbraw/zinc/31/52/25/571315225.db2.gz GOZOCIAENCFFCM-JOCHJYFZSA-N 1 1 401.897 5.538 50 0 HKAAMO Clc1ccc(-c2nnc([C@@H](c3ccccc3)[N@H+]3CCc4ccccc4C3)o2)cc1 ZINC000021916568 571315227 /nfs/dbraw/zinc/31/52/27/571315227.db2.gz GOZOCIAENCFFCM-JOCHJYFZSA-N 1 1 401.897 5.538 50 0 HKAAMO Clc1ccc(-c2csc3ncnc(NCC[N@H+]4CCc5ccccc5C4)c23)cc1 ZINC000021933162 568761691 /nfs/dbraw/zinc/76/16/91/568761691.db2.gz ZSKKSFZMHKUGNZ-UHFFFAOYSA-N 1 1 420.969 5.482 50 0 HKAAMO C[N@@H+](CCCNC(=O)c1ccccc1SCc1cccs1)Cc1ccccc1 ZINC000021939049 568472495 /nfs/dbraw/zinc/47/24/95/568472495.db2.gz ZERILWLDFVUKQE-UHFFFAOYSA-N 1 1 410.608 5.292 50 0 HKAAMO C[N@@H+](CCCNC(=O)c1ccccc1SCc1ccsc1)Cc1ccccc1 ZINC000021939094 558456473 /nfs/dbraw/zinc/45/64/73/558456473.db2.gz CVGANSAQBNAVKW-UHFFFAOYSA-N 1 1 410.608 5.292 50 0 HKAAMO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)o2)cc1 ZINC000022018978 558984137 /nfs/dbraw/zinc/98/41/37/558984137.db2.gz ZRTHQBUJPPVYMO-FQEVSTJZSA-N 1 1 404.558 5.047 50 0 HKAAMO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)o2)cc1 ZINC000022018980 558984162 /nfs/dbraw/zinc/98/41/62/558984162.db2.gz ZRTHQBUJPPVYMO-HXUWFJFHSA-N 1 1 404.558 5.047 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[N@@H+](CCCc1ccccc1)CC2 ZINC000022022988 558458622 /nfs/dbraw/zinc/45/86/22/558458622.db2.gz SHXRSKZZJYKRPW-SANMLTNESA-N 1 1 405.513 5.423 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)[N@@H+](CCCc1ccccc1)CC2 ZINC000022022989 558458564 /nfs/dbraw/zinc/45/85/64/558458564.db2.gz SHXRSKZZJYKRPW-AREMUKBSSA-N 1 1 405.513 5.423 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[N@H+](C/C=C(\C)CCC=C(C)C)CC2 ZINC000022022990 558779015 /nfs/dbraw/zinc/77/90/15/558779015.db2.gz IVZIFRIOBSMWOG-LKCKWYFFSA-N 1 1 423.572 6.483 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(F)c1)[N@@H+](C/C=C(\C)CCC=C(C)C)CC2 ZINC000022022990 558779016 /nfs/dbraw/zinc/77/90/16/558779016.db2.gz IVZIFRIOBSMWOG-LKCKWYFFSA-N 1 1 423.572 6.483 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)[N@H+](C/C=C(\C)CCC=C(C)C)CC2 ZINC000022022991 558778946 /nfs/dbraw/zinc/77/89/46/558778946.db2.gz IVZIFRIOBSMWOG-PJYIVQDXSA-N 1 1 423.572 6.483 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(F)c1)[N@@H+](C/C=C(\C)CCC=C(C)C)CC2 ZINC000022022991 558778949 /nfs/dbraw/zinc/77/89/49/558778949.db2.gz IVZIFRIOBSMWOG-PJYIVQDXSA-N 1 1 423.572 6.483 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(O)cc1)CC2 ZINC000022023216 558458537 /nfs/dbraw/zinc/45/85/37/558458537.db2.gz SSXNYNXYSPXSPH-DEOSSOPVSA-N 1 1 409.913 5.211 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000022023216 558458538 /nfs/dbraw/zinc/45/85/38/558458538.db2.gz SSXNYNXYSPXSPH-DEOSSOPVSA-N 1 1 409.913 5.211 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(O)cc1)CC2 ZINC000022023217 558458531 /nfs/dbraw/zinc/45/85/31/558458531.db2.gz SSXNYNXYSPXSPH-XMMPIXPASA-N 1 1 409.913 5.211 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(O)cc1)CC2 ZINC000022023217 558458532 /nfs/dbraw/zinc/45/85/32/558458532.db2.gz SSXNYNXYSPXSPH-XMMPIXPASA-N 1 1 409.913 5.211 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(C)cc1C)CC2 ZINC000022023290 558458586 /nfs/dbraw/zinc/45/85/86/558458586.db2.gz KIBIIUNWCPGPPH-SANMLTNESA-N 1 1 421.968 6.122 50 0 HKAAMO COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(C)cc1C)CC2 ZINC000022023290 558458588 /nfs/dbraw/zinc/45/85/88/558458588.db2.gz KIBIIUNWCPGPPH-SANMLTNESA-N 1 1 421.968 6.122 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@H+](Cc1ccc(C)cc1C)CC2 ZINC000022023291 558458540 /nfs/dbraw/zinc/45/85/40/558458540.db2.gz KIBIIUNWCPGPPH-AREMUKBSSA-N 1 1 421.968 6.122 50 0 HKAAMO COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)[N@@H+](Cc1ccc(C)cc1C)CC2 ZINC000022023291 558458541 /nfs/dbraw/zinc/45/85/41/558458541.db2.gz KIBIIUNWCPGPPH-AREMUKBSSA-N 1 1 421.968 6.122 50 0 HKAAMO Clc1ccc([C@@H](c2ccccc2)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000022026393 569042497 /nfs/dbraw/zinc/04/24/97/569042497.db2.gz ZSQANMZWGKYDER-GYAHLDOBSA-N 1 1 402.969 5.760 50 0 HKAAMO Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000022026393 569042498 /nfs/dbraw/zinc/04/24/98/569042498.db2.gz ZSQANMZWGKYDER-GYAHLDOBSA-N 1 1 402.969 5.760 50 0 HKAAMO Clc1ccc([C@H](c2ccccc2)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000022026394 559068710 /nfs/dbraw/zinc/06/87/10/559068710.db2.gz ZSQANMZWGKYDER-ZRFNAWPJSA-N 1 1 402.969 5.760 50 0 HKAAMO Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000022026394 559068712 /nfs/dbraw/zinc/06/87/12/559068712.db2.gz ZSQANMZWGKYDER-ZRFNAWPJSA-N 1 1 402.969 5.760 50 0 HKAAMO c1cn(CCCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022035648 558459313 /nfs/dbraw/zinc/45/93/13/558459313.db2.gz LMHLQJPFNQJKMD-UHFFFAOYSA-N 1 1 423.604 5.829 50 0 HKAAMO O=C(Nc1cccc(Cl)c1Cl)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022064184 558461156 /nfs/dbraw/zinc/46/11/56/558461156.db2.gz CVDLZITUJYNWGP-UHFFFAOYSA-N 1 1 411.332 5.804 50 0 HKAAMO Cc1cc(C)c(-n2cccc2CNC2CC[NH+](CCc3ccccc3)CC2)c(C)c1 ZINC000022077804 558462723 /nfs/dbraw/zinc/46/27/23/558462723.db2.gz WROOLCRGWWDIBZ-UHFFFAOYSA-N 1 1 401.598 5.199 50 0 HKAAMO CCOc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3C2CCC4)ccc1OC ZINC000022078041 558778965 /nfs/dbraw/zinc/77/89/65/558778965.db2.gz OSNAEXFOGUNGFO-QHCPKHFHSA-N 1 1 404.554 5.640 50 0 HKAAMO CCOc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3C2CCC4)ccc1OC ZINC000022078041 558778968 /nfs/dbraw/zinc/77/89/68/558778968.db2.gz OSNAEXFOGUNGFO-QHCPKHFHSA-N 1 1 404.554 5.640 50 0 HKAAMO CCOc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)ccc1OC ZINC000022078041 558778969 /nfs/dbraw/zinc/77/89/69/558778969.db2.gz OSNAEXFOGUNGFO-QHCPKHFHSA-N 1 1 404.554 5.640 50 0 HKAAMO CCOc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)ccc1OC ZINC000022078041 558778972 /nfs/dbraw/zinc/77/89/72/558778972.db2.gz OSNAEXFOGUNGFO-QHCPKHFHSA-N 1 1 404.554 5.640 50 0 HKAAMO CCOc1cc(C[N@@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)ccc1OC ZINC000022078044 558778989 /nfs/dbraw/zinc/77/89/89/558778989.db2.gz OSNAEXFOGUNGFO-HSZRJFAPSA-N 1 1 404.554 5.640 50 0 HKAAMO CCOc1cc(C[N@H+]2CCCn3c4ccc(C)cc4c4c3[C@H]2CCC4)ccc1OC ZINC000022078044 558778992 /nfs/dbraw/zinc/77/89/92/558778992.db2.gz OSNAEXFOGUNGFO-HSZRJFAPSA-N 1 1 404.554 5.640 50 0 HKAAMO COc1ccc(-c2cc(C[N@@H+]3CCc4sccc4[C@@H]3c3cccs3)on2)cc1 ZINC000022096325 558463463 /nfs/dbraw/zinc/46/34/63/558463463.db2.gz NPRLFHNBHSDLLW-JOCHJYFZSA-N 1 1 408.548 5.621 50 0 HKAAMO COc1ccc(-c2cc(C[N@H+]3CCc4sccc4[C@@H]3c3cccs3)on2)cc1 ZINC000022096325 558463467 /nfs/dbraw/zinc/46/34/67/558463467.db2.gz NPRLFHNBHSDLLW-JOCHJYFZSA-N 1 1 408.548 5.621 50 0 HKAAMO COc1ccc(-c2cc(C[N@@H+]3CCc4sccc4[C@H]3c3cccs3)on2)cc1 ZINC000022096329 558463526 /nfs/dbraw/zinc/46/35/26/558463526.db2.gz NPRLFHNBHSDLLW-QFIPXVFZSA-N 1 1 408.548 5.621 50 0 HKAAMO COc1ccc(-c2cc(C[N@H+]3CCc4sccc4[C@H]3c3cccs3)on2)cc1 ZINC000022096329 558463529 /nfs/dbraw/zinc/46/35/29/558463529.db2.gz NPRLFHNBHSDLLW-QFIPXVFZSA-N 1 1 408.548 5.621 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@H+]2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022199740 558466369 /nfs/dbraw/zinc/46/63/69/558466369.db2.gz BLTJNQXEIDIGFW-SFHVURJKSA-N 1 1 423.340 5.176 50 0 HKAAMO COc1ccc([C@H]2CCC[N@H+]2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 ZINC000022199745 558466373 /nfs/dbraw/zinc/46/63/73/558466373.db2.gz BLTJNQXEIDIGFW-GOSISDBHSA-N 1 1 423.340 5.176 50 0 HKAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022199940 558466299 /nfs/dbraw/zinc/46/62/99/558466299.db2.gz LTEPCWJCEKRYME-FQEVSTJZSA-N 1 1 421.368 5.948 50 0 HKAAMO COc1ccc([C@H]2CCCCC[N@H+]2CCC(=O)Nc2c(Cl)cccc2Cl)cc1 ZINC000022199943 558466317 /nfs/dbraw/zinc/46/63/17/558466317.db2.gz LTEPCWJCEKRYME-HXUWFJFHSA-N 1 1 421.368 5.948 50 0 HKAAMO O=C(Nc1ccccc1C(F)(F)F)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000022238492 558471491 /nfs/dbraw/zinc/47/14/91/558471491.db2.gz HVPCAIYDAACCPU-UHFFFAOYSA-N 1 1 410.439 5.516 50 0 HKAAMO Cc1cn(CCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 ZINC000022454841 558490253 /nfs/dbraw/zinc/49/02/53/558490253.db2.gz YZMISAQUGOJTJU-UHFFFAOYSA-N 1 1 423.604 5.747 50 0 HKAAMO c1[nH]c2ccccc2c1CCCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022454881 558490221 /nfs/dbraw/zinc/49/02/21/558490221.db2.gz RNSSHWWJDFKKNX-UHFFFAOYSA-N 1 1 409.577 5.508 50 0 biogenic HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454886 558490257 /nfs/dbraw/zinc/49/02/57/558490257.db2.gz ZKKRFYAEWBLTKZ-GDLZYMKVSA-N 1 1 423.604 5.816 50 0 biogenic HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000022454890 558490274 /nfs/dbraw/zinc/49/02/74/558490274.db2.gz ZKKRFYAEWBLTKZ-LJAQVGFWSA-N 1 1 423.604 5.816 50 0 biogenic HKAAMO CN1CC[NH+](CC[C@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1 ZINC000022459472 558490528 /nfs/dbraw/zinc/49/05/28/558490528.db2.gz VLFRFTIUJYIZDW-VWLOTQADSA-N 1 1 416.565 5.023 50 0 HKAAMO CN1CC[NH+](CC[C@@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1 ZINC000022459478 558490398 /nfs/dbraw/zinc/49/03/98/558490398.db2.gz VLFRFTIUJYIZDW-RUZDIDTESA-N 1 1 416.565 5.023 50 0 HKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)C(Cl)(Cl)Cl)cc12)CC1CC1 ZINC000022622058 568772062 /nfs/dbraw/zinc/77/20/62/568772062.db2.gz CFGWHXMQJIIHSA-UHFFFAOYSA-N 1 1 416.780 5.141 50 0 HKAAMO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022766003 519778750 /nfs/dbraw/zinc/77/87/50/519778750.db2.gz JUMYVZFBQVUZJH-XMMPIXPASA-N 1 1 420.578 5.065 50 0 HKAAMO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022766003 519778751 /nfs/dbraw/zinc/77/87/51/519778751.db2.gz JUMYVZFBQVUZJH-XMMPIXPASA-N 1 1 420.578 5.065 50 0 HKAAMO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022766007 519778747 /nfs/dbraw/zinc/77/87/47/519778747.db2.gz JUMYVZFBQVUZJH-DEOSSOPVSA-N 1 1 420.578 5.065 50 0 HKAAMO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022766007 519778748 /nfs/dbraw/zinc/77/87/48/519778748.db2.gz JUMYVZFBQVUZJH-DEOSSOPVSA-N 1 1 420.578 5.065 50 0 HKAAMO COc1cc(Br)c(C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)cc1OC ZINC000022776821 568499512 /nfs/dbraw/zinc/49/95/12/568499512.db2.gz ACQNLTQHCUIYOO-JTQLQIEISA-N 1 1 419.146 5.624 50 0 HKAAMO COc1cc(Br)c(C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)cc1OC ZINC000022776826 568499519 /nfs/dbraw/zinc/49/95/19/568499519.db2.gz ACQNLTQHCUIYOO-SNVBAGLBSA-N 1 1 419.146 5.624 50 0 HKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000022781858 569357620 /nfs/dbraw/zinc/35/76/20/569357620.db2.gz PDXVYZCYGBPUAD-OVHUPFAXSA-N 1 1 413.605 6.889 50 0 HKAAMO c1ccc(COc2cccc(CN3CC[N@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)c2)cc1 ZINC000022860940 569357660 /nfs/dbraw/zinc/35/76/60/569357660.db2.gz VGVHPQNRDXFRDX-SVBPBHIXSA-N 1 1 404.598 5.495 50 0 HKAAMO Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000022864145 557843410 /nfs/dbraw/zinc/84/34/10/557843410.db2.gz SMANXXCATUTDDT-DAXSKMNVSA-N 1 1 404.504 5.385 50 0 HKAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000022907654 568416164 /nfs/dbraw/zinc/41/61/64/568416164.db2.gz XPZIIYXZNNHRDR-HXUWFJFHSA-N 1 1 411.958 5.323 50 0 HKAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000022907654 568416165 /nfs/dbraw/zinc/41/61/65/568416165.db2.gz XPZIIYXZNNHRDR-HXUWFJFHSA-N 1 1 411.958 5.323 50 0 HKAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000022907657 568416158 /nfs/dbraw/zinc/41/61/58/568416158.db2.gz XPZIIYXZNNHRDR-FQEVSTJZSA-N 1 1 411.958 5.323 50 0 HKAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000022907657 568416159 /nfs/dbraw/zinc/41/61/59/568416159.db2.gz XPZIIYXZNNHRDR-FQEVSTJZSA-N 1 1 411.958 5.323 50 0 HKAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000022907665 568416142 /nfs/dbraw/zinc/41/61/42/568416142.db2.gz AVCPNPDCRJGJEB-HXUWFJFHSA-N 1 1 411.958 5.323 50 0 HKAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000022907665 568416144 /nfs/dbraw/zinc/41/61/44/568416144.db2.gz AVCPNPDCRJGJEB-HXUWFJFHSA-N 1 1 411.958 5.323 50 0 HKAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000022907668 568416064 /nfs/dbraw/zinc/41/60/64/568416064.db2.gz AVCPNPDCRJGJEB-FQEVSTJZSA-N 1 1 411.958 5.323 50 0 HKAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000022907668 568416066 /nfs/dbraw/zinc/41/60/66/568416066.db2.gz AVCPNPDCRJGJEB-FQEVSTJZSA-N 1 1 411.958 5.323 50 0 HKAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907887 568416179 /nfs/dbraw/zinc/41/61/79/568416179.db2.gz PKQGLTCNFSABPS-LJQANCHMSA-N 1 1 414.933 5.070 50 0 HKAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907887 568416180 /nfs/dbraw/zinc/41/61/80/568416180.db2.gz PKQGLTCNFSABPS-LJQANCHMSA-N 1 1 414.933 5.070 50 0 HKAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907890 568416059 /nfs/dbraw/zinc/41/60/59/568416059.db2.gz PKQGLTCNFSABPS-IBGZPJMESA-N 1 1 414.933 5.070 50 0 HKAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000022907890 568416061 /nfs/dbraw/zinc/41/60/61/568416061.db2.gz PKQGLTCNFSABPS-IBGZPJMESA-N 1 1 414.933 5.070 50 0 HKAAMO COc1ccc(C)cc1C[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022926728 558523430 /nfs/dbraw/zinc/52/34/30/558523430.db2.gz CSAFXUWXZIZOAX-UHFFFAOYSA-N 1 1 422.519 5.189 50 0 HKAAMO Cc1cccc(C(C)C)c1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022932549 558524950 /nfs/dbraw/zinc/52/49/50/558524950.db2.gz JUSLZLGNKNERGZ-UHFFFAOYSA-N 1 1 421.610 5.089 50 0 HKAAMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccc(OC)c3)cs2)cc1OC ZINC000023078278 558533474 /nfs/dbraw/zinc/53/34/74/558533474.db2.gz BITXXQUXSGEFPI-OAQYLSRUSA-N 1 1 424.566 5.563 50 0 HKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccc(OC)c3)cs2)cc1OC ZINC000023078278 558533475 /nfs/dbraw/zinc/53/34/75/558533475.db2.gz BITXXQUXSGEFPI-OAQYLSRUSA-N 1 1 424.566 5.563 50 0 HKAAMO CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccc(OC)c3)cs2)cc1OC ZINC000023078280 558533651 /nfs/dbraw/zinc/53/36/51/558533651.db2.gz BITXXQUXSGEFPI-NRFANRHFSA-N 1 1 424.566 5.563 50 0 HKAAMO CCOc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cccc(OC)c3)cs2)cc1OC ZINC000023078280 558533654 /nfs/dbraw/zinc/53/36/54/558533654.db2.gz BITXXQUXSGEFPI-NRFANRHFSA-N 1 1 424.566 5.563 50 0 HKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153839 559021821 /nfs/dbraw/zinc/02/18/21/559021821.db2.gz DRNGBVUQJYUOFQ-UHFFFAOYSA-N 1 1 419.575 5.655 50 0 HKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153839 559021823 /nfs/dbraw/zinc/02/18/23/559021823.db2.gz DRNGBVUQJYUOFQ-UHFFFAOYSA-N 1 1 419.575 5.655 50 0 HKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153840 559021770 /nfs/dbraw/zinc/02/17/70/559021770.db2.gz BFDIDPOQZOQCQP-UHFFFAOYSA-N 1 1 405.548 5.265 50 0 HKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153840 559021771 /nfs/dbraw/zinc/02/17/71/559021771.db2.gz BFDIDPOQZOQCQP-UHFFFAOYSA-N 1 1 405.548 5.265 50 0 HKAAMO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000023153841 559021842 /nfs/dbraw/zinc/02/18/42/559021842.db2.gz BUIMNIQIWQCYMW-UHFFFAOYSA-N 1 1 419.575 5.573 50 0 HKAAMO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000023153841 559021843 /nfs/dbraw/zinc/02/18/43/559021843.db2.gz BUIMNIQIWQCYMW-UHFFFAOYSA-N 1 1 419.575 5.573 50 0 HKAAMO CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000023153856 559021782 /nfs/dbraw/zinc/02/17/82/559021782.db2.gz VBKOTDOZGCZROG-UHFFFAOYSA-N 1 1 419.575 5.542 50 0 HKAAMO CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2 ZINC000023153856 559021784 /nfs/dbraw/zinc/02/17/84/559021784.db2.gz VBKOTDOZGCZROG-UHFFFAOYSA-N 1 1 419.575 5.542 50 0 HKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 ZINC000023153863 559021801 /nfs/dbraw/zinc/02/18/01/559021801.db2.gz YIIDNFKMAHRJOI-UHFFFAOYSA-N 1 1 413.612 5.776 50 0 HKAAMO C[N@@H+]1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153869 559021794 /nfs/dbraw/zinc/02/17/94/559021794.db2.gz XNPOFKFBIHPBFP-UHFFFAOYSA-N 1 1 419.575 5.194 50 0 HKAAMO C[N@H+]1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 ZINC000023153869 559021796 /nfs/dbraw/zinc/02/17/96/559021796.db2.gz XNPOFKFBIHPBFP-UHFFFAOYSA-N 1 1 419.575 5.194 50 0 HKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000023153870 559021712 /nfs/dbraw/zinc/02/17/12/559021712.db2.gz HWELDEYNCCLPPT-UHFFFAOYSA-N 1 1 411.577 5.327 50 0 HKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 ZINC000023153870 559021714 /nfs/dbraw/zinc/02/17/14/559021714.db2.gz HWELDEYNCCLPPT-UHFFFAOYSA-N 1 1 411.577 5.327 50 0 HKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000023153873 559021704 /nfs/dbraw/zinc/02/17/04/559021704.db2.gz CYDRDSPXASXHPV-UHFFFAOYSA-N 1 1 409.536 5.248 50 0 HKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 ZINC000023153873 559021706 /nfs/dbraw/zinc/02/17/06/559021706.db2.gz CYDRDSPXASXHPV-UHFFFAOYSA-N 1 1 409.536 5.248 50 0 HKAAMO C[N@@H+]1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000023153877 559021740 /nfs/dbraw/zinc/02/17/40/559021740.db2.gz AXJDOTUWIVCAMF-UHFFFAOYSA-N 1 1 411.596 5.532 50 0 HKAAMO C[N@H+]1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 ZINC000023153877 559021742 /nfs/dbraw/zinc/02/17/42/559021742.db2.gz AXJDOTUWIVCAMF-UHFFFAOYSA-N 1 1 411.596 5.532 50 0 HKAAMO Clc1ccc(-c2nc(CNC[C@H](c3cccs3)[NH+]3CCCC3)cs2)cc1 ZINC000023257858 558546615 /nfs/dbraw/zinc/54/66/15/558546615.db2.gz RCZIKTKMVRZOCE-GOSISDBHSA-N 1 1 404.004 5.452 50 0 HKAAMO Clc1ccc(-c2nc(CNC[C@@H](c3cccs3)[NH+]3CCCC3)cs2)cc1 ZINC000023257861 558546627 /nfs/dbraw/zinc/54/66/27/558546627.db2.gz RCZIKTKMVRZOCE-SFHVURJKSA-N 1 1 404.004 5.452 50 0 HKAAMO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 ZINC000023281888 558547675 /nfs/dbraw/zinc/54/76/75/558547675.db2.gz BCKRTKONUQWCAZ-UHFFFAOYSA-N 1 1 422.956 5.250 50 0 HKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc12)CC1CC1 ZINC000023304410 558548659 /nfs/dbraw/zinc/54/86/59/558548659.db2.gz PSIQMKKEKSZNEM-UKILVPOCSA-N 1 1 415.581 5.575 50 0 HKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc12)CC1CC1 ZINC000023304412 558548593 /nfs/dbraw/zinc/54/85/93/558548593.db2.gz PSIQMKKEKSZNEM-ZCYQVOJMSA-N 1 1 415.581 5.575 50 0 HKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)c3cc(F)cc(F)c3)cc12)CC1CC1 ZINC000023308992 521671408 /nfs/dbraw/zinc/67/14/08/521671408.db2.gz XKNRMFNTLYAETI-UHFFFAOYSA-N 1 1 411.496 5.363 50 0 HKAAMO Cc1ccc(F)c(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000023313089 559115925 /nfs/dbraw/zinc/11/59/25/559115925.db2.gz CQKWAIFOENLXEA-UHFFFAOYSA-N 1 1 403.501 5.073 50 0 HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000023315460 559116790 /nfs/dbraw/zinc/11/67/90/559116790.db2.gz VUVMORZXEDVTAN-DEOSSOPVSA-N 1 1 404.941 5.196 50 0 HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000023315463 559116784 /nfs/dbraw/zinc/11/67/84/559116784.db2.gz VUVMORZXEDVTAN-XMMPIXPASA-N 1 1 404.941 5.196 50 0 HKAAMO CCN(CC[NH+](CC)CC)C(=O)c1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000023316412 559116974 /nfs/dbraw/zinc/11/69/74/559116974.db2.gz DSTNOKHXDYIDIX-UHFFFAOYSA-N 1 1 424.976 5.201 50 0 HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000023317916 559117676 /nfs/dbraw/zinc/11/76/76/559117676.db2.gz NIRYCPATOLPBJW-DEOSSOPVSA-N 1 1 404.941 5.196 50 0 HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000023317919 559117658 /nfs/dbraw/zinc/11/76/58/559117658.db2.gz NIRYCPATOLPBJW-XMMPIXPASA-N 1 1 404.941 5.196 50 0 HKAAMO CC[C@@H](C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000023318084 559117687 /nfs/dbraw/zinc/11/76/87/559117687.db2.gz YSZXXYZVUMZAMK-SXOMAYOGSA-N 1 1 412.577 5.422 50 0 HKAAMO CC[C@H](C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000023318087 559117704 /nfs/dbraw/zinc/11/77/04/559117704.db2.gz YSZXXYZVUMZAMK-SVBPBHIXSA-N 1 1 412.577 5.422 50 0 HKAAMO CC[C@@H](C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000023318090 559117672 /nfs/dbraw/zinc/11/76/72/559117672.db2.gz YSZXXYZVUMZAMK-KAYWLYCHSA-N 1 1 412.577 5.422 50 0 HKAAMO CC[C@H](C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(C)cc2)CC1)c1ccccc1 ZINC000023318093 559117685 /nfs/dbraw/zinc/11/76/85/559117685.db2.gz YSZXXYZVUMZAMK-RRPNLBNLSA-N 1 1 412.577 5.422 50 0 HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000023319840 559125657 /nfs/dbraw/zinc/12/56/57/559125657.db2.gz SPDLRRFINAAWDG-VWLOTQADSA-N 1 1 417.528 5.382 50 0 HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccc(C)c(F)c3)CC2)cc1 ZINC000023319843 559125666 /nfs/dbraw/zinc/12/56/66/559125666.db2.gz SPDLRRFINAAWDG-RUZDIDTESA-N 1 1 417.528 5.382 50 0 HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000023321038 559126181 /nfs/dbraw/zinc/12/61/81/559126181.db2.gz ONTCDRIBCUXNAR-VWLOTQADSA-N 1 1 417.528 5.382 50 0 HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3cc(C)ccc3F)CC2)cc1 ZINC000023321041 559126151 /nfs/dbraw/zinc/12/61/51/559126151.db2.gz ONTCDRIBCUXNAR-RUZDIDTESA-N 1 1 417.528 5.382 50 0 HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000023322816 559141474 /nfs/dbraw/zinc/14/14/74/559141474.db2.gz FMLNKFGLPUFLRO-DEOSSOPVSA-N 1 1 421.491 5.212 50 0 HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1 ZINC000023322819 559141453 /nfs/dbraw/zinc/14/14/53/559141453.db2.gz FMLNKFGLPUFLRO-XMMPIXPASA-N 1 1 421.491 5.212 50 0 HKAAMO CCCCCC[N@@H+](C)Cc1csc(-c2cccc(-c3ccc(OCC)cc3)c2)n1 ZINC000023324485 559149759 /nfs/dbraw/zinc/14/97/59/559149759.db2.gz PKHSVLBSDDBYLG-UHFFFAOYSA-N 1 1 408.611 6.888 50 0 HKAAMO O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023328393 559166749 /nfs/dbraw/zinc/16/67/49/559166749.db2.gz JEVUHCJPWXYRDT-UHFFFAOYSA-N 1 1 424.466 5.253 50 0 HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000023329814 559167609 /nfs/dbraw/zinc/16/76/09/559167609.db2.gz YLAPCXQHACZTCT-DEOSSOPVSA-N 1 1 422.931 5.335 50 0 HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000023329817 559167639 /nfs/dbraw/zinc/16/76/39/559167639.db2.gz YLAPCXQHACZTCT-XMMPIXPASA-N 1 1 422.931 5.335 50 0 HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3c(F)ccc(C)c3F)CC2)cc1 ZINC000023330949 559169920 /nfs/dbraw/zinc/16/99/20/559169920.db2.gz XFNHZJZYUKIGSQ-VWLOTQADSA-N 1 1 420.503 5.129 50 0 HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3c(F)ccc(C)c3F)CC2)cc1 ZINC000023330952 559169897 /nfs/dbraw/zinc/16/98/97/559169897.db2.gz XFNHZJZYUKIGSQ-RUZDIDTESA-N 1 1 420.503 5.129 50 0 HKAAMO O=C(c1ccccc1C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023331061 558549484 /nfs/dbraw/zinc/54/94/84/558549484.db2.gz GFQCLOKCWFOQJO-UHFFFAOYSA-N 1 1 424.466 5.253 50 0 HKAAMO CCCCC[N@@H+](C)Cc1csc(-c2cccc(-c3cc(OC)ccc3OC)c2)n1 ZINC000023334554 559172690 /nfs/dbraw/zinc/17/26/90/559172690.db2.gz ZNHOVKAGXJBOKM-UHFFFAOYSA-N 1 1 410.583 6.116 50 0 HKAAMO CCCCCC[N@@H+](C)Cc1csc(-c2cccc(-c3cc(OC)ccc3OC)c2)n1 ZINC000023335965 559172431 /nfs/dbraw/zinc/17/24/31/559172431.db2.gz QUULUEGLODMEME-UHFFFAOYSA-N 1 1 424.610 6.506 50 0 HKAAMO CC(C)c1csc(C[NH+]2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)n1 ZINC000023339992 558550623 /nfs/dbraw/zinc/55/06/23/558550623.db2.gz AGMSZBKHHZQYLW-UHFFFAOYSA-N 1 1 409.555 5.377 50 0 HKAAMO Cc1c2ccccc2oc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023442093 558558494 /nfs/dbraw/zinc/55/84/94/558558494.db2.gz RUYYWXOUVYGTOL-UHFFFAOYSA-N 1 1 410.517 5.289 50 0 HKAAMO C[N@H+](Cc1csc(Cc2ccc(F)cc2Cl)n1)Cc1cccc2ccccc21 ZINC000023443663 559175077 /nfs/dbraw/zinc/17/50/77/559175077.db2.gz DAUOYFNTGDQJPO-UHFFFAOYSA-N 1 1 410.945 6.312 50 0 HKAAMO C[N@@H+](Cc1csc(Cc2ccc(F)cc2Cl)n1)Cc1cccc2ccccc21 ZINC000023443663 559175080 /nfs/dbraw/zinc/17/50/80/559175080.db2.gz DAUOYFNTGDQJPO-UHFFFAOYSA-N 1 1 410.945 6.312 50 0 HKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023446460 559175272 /nfs/dbraw/zinc/17/52/72/559175272.db2.gz OQGLNSAINKEZGU-JOCHJYFZSA-N 1 1 424.548 5.111 50 0 HKAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023446460 559175274 /nfs/dbraw/zinc/17/52/74/559175274.db2.gz OQGLNSAINKEZGU-JOCHJYFZSA-N 1 1 424.548 5.111 50 0 HKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023446460 559175276 /nfs/dbraw/zinc/17/52/76/559175276.db2.gz OQGLNSAINKEZGU-JOCHJYFZSA-N 1 1 424.548 5.111 50 0 HKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)n[nH]2)cc1 ZINC000023446462 559175324 /nfs/dbraw/zinc/17/53/24/559175324.db2.gz OQGLNSAINKEZGU-QFIPXVFZSA-N 1 1 424.548 5.111 50 0 HKAAMO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023446462 559175325 /nfs/dbraw/zinc/17/53/25/559175325.db2.gz OQGLNSAINKEZGU-QFIPXVFZSA-N 1 1 424.548 5.111 50 0 HKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2cc(-c3cccc4ccccc43)[nH]n2)cc1 ZINC000023446462 559175327 /nfs/dbraw/zinc/17/53/27/559175327.db2.gz OQGLNSAINKEZGU-QFIPXVFZSA-N 1 1 424.548 5.111 50 0 HKAAMO Cc1c2ccccc2oc1C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000023448189 559175560 /nfs/dbraw/zinc/17/55/60/559175560.db2.gz VBDGVALHYNTEAE-SANMLTNESA-N 1 1 424.544 5.597 50 0 HKAAMO Cc1c2ccccc2oc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccc(C)cc2)CC1 ZINC000023448192 559175552 /nfs/dbraw/zinc/17/55/52/559175552.db2.gz VBDGVALHYNTEAE-AREMUKBSSA-N 1 1 424.544 5.597 50 0 HKAAMO Cc1ccc([C@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000023449757 559174635 /nfs/dbraw/zinc/17/46/35/559174635.db2.gz GAYIEKKSEHUSLT-NDEPHWFRSA-N 1 1 420.556 5.696 50 0 HKAAMO Cc1ccc([C@@H](c2ccccc2)[NH+]2CCN(C(=O)c3cccc4ccccc43)CC2)cc1 ZINC000023449760 559174599 /nfs/dbraw/zinc/17/45/99/559174599.db2.gz GAYIEKKSEHUSLT-MUUNZHRXSA-N 1 1 420.556 5.696 50 0 HKAAMO Clc1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc2c1OCCCO2 ZINC000023466435 558558980 /nfs/dbraw/zinc/55/89/80/558558980.db2.gz VTKSIQKXTDCMEQ-MRXNPFEDSA-N 1 1 414.958 5.491 50 0 HKAAMO Clc1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)cc2c1OCCCO2 ZINC000023466436 558558947 /nfs/dbraw/zinc/55/89/47/558558947.db2.gz VTKSIQKXTDCMEQ-INIZCTEOSA-N 1 1 414.958 5.491 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+]3CCc4sccc4[C@@H]3C3CC3)cs2)cc1OC ZINC000023936534 558581945 /nfs/dbraw/zinc/58/19/45/558581945.db2.gz GWVAYIUKRGMAJM-NRFANRHFSA-N 1 1 412.580 5.398 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCc4sccc4[C@@H]3C3CC3)cs2)cc1OC ZINC000023936534 558581947 /nfs/dbraw/zinc/58/19/47/558581947.db2.gz GWVAYIUKRGMAJM-NRFANRHFSA-N 1 1 412.580 5.398 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+]3CCc4sccc4[C@H]3C3CC3)cs2)cc1OC ZINC000023936537 558581882 /nfs/dbraw/zinc/58/18/82/558581882.db2.gz GWVAYIUKRGMAJM-OAQYLSRUSA-N 1 1 412.580 5.398 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+]3CCc4sccc4[C@H]3C3CC3)cs2)cc1OC ZINC000023936537 558581884 /nfs/dbraw/zinc/58/18/84/558581884.db2.gz GWVAYIUKRGMAJM-OAQYLSRUSA-N 1 1 412.580 5.398 50 0 HKAAMO Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)o1 ZINC000023967804 526985381 /nfs/dbraw/zinc/98/53/81/526985381.db2.gz MRNCQJYHBFGSAK-CQSZACIVSA-N 1 1 410.930 5.379 50 0 HKAAMO Clc1ccccc1-c1nnc(C[N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)o1 ZINC000023967806 526985629 /nfs/dbraw/zinc/98/56/29/526985629.db2.gz MRNCQJYHBFGSAK-AWEZNQCLSA-N 1 1 410.930 5.379 50 0 HKAAMO CCc1sc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1C ZINC000023989994 558583839 /nfs/dbraw/zinc/58/38/39/558583839.db2.gz IAKIGQSZCOIEMI-OAHLLOKOSA-N 1 1 424.595 5.658 50 0 HKAAMO CCc1sc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1C ZINC000023989994 558583840 /nfs/dbraw/zinc/58/38/40/558583840.db2.gz IAKIGQSZCOIEMI-OAHLLOKOSA-N 1 1 424.595 5.658 50 0 HKAAMO CCc1sc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1C ZINC000023989995 558583820 /nfs/dbraw/zinc/58/38/20/558583820.db2.gz IAKIGQSZCOIEMI-HNNXBMFYSA-N 1 1 424.595 5.658 50 0 HKAAMO CCc1sc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1C ZINC000023989995 558583822 /nfs/dbraw/zinc/58/38/22/558583822.db2.gz IAKIGQSZCOIEMI-HNNXBMFYSA-N 1 1 424.595 5.658 50 0 HKAAMO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000024032142 559187971 /nfs/dbraw/zinc/18/79/71/559187971.db2.gz ZTBSVPRAVOVEFN-RUZDIDTESA-N 1 1 412.558 5.431 50 0 HKAAMO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000024032142 559187972 /nfs/dbraw/zinc/18/79/72/559187972.db2.gz ZTBSVPRAVOVEFN-RUZDIDTESA-N 1 1 412.558 5.431 50 0 HKAAMO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000024032145 559187950 /nfs/dbraw/zinc/18/79/50/559187950.db2.gz ZTBSVPRAVOVEFN-VWLOTQADSA-N 1 1 412.558 5.431 50 0 HKAAMO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1 ZINC000024032145 559187951 /nfs/dbraw/zinc/18/79/51/559187951.db2.gz ZTBSVPRAVOVEFN-VWLOTQADSA-N 1 1 412.558 5.431 50 0 HKAAMO Cc1ccc2occ(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000024193207 558591425 /nfs/dbraw/zinc/59/14/25/558591425.db2.gz VOQRCUKEJQSGNF-UHFFFAOYSA-N 1 1 424.544 5.218 50 0 HKAAMO Clc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000024602059 558602410 /nfs/dbraw/zinc/60/24/10/558602410.db2.gz MBDZDBMEZIAJCD-OAHLLOKOSA-N 1 1 410.930 5.379 50 0 HKAAMO Clc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 ZINC000024602062 558602374 /nfs/dbraw/zinc/60/23/74/558602374.db2.gz MBDZDBMEZIAJCD-HNNXBMFYSA-N 1 1 410.930 5.379 50 0 HKAAMO C[N@H+](Cn1nc(-c2cccs2)n(C2CC2)c1=S)C1C2CC3CC(C2)CC1C3 ZINC000024657515 558606387 /nfs/dbraw/zinc/60/63/87/558606387.db2.gz XUUHIMJFJDKGQZ-UHFFFAOYSA-N 1 1 400.617 5.191 50 0 HKAAMO C[N@@H+](Cn1nc(-c2cccs2)n(C2CC2)c1=S)C1C2CC3CC(C2)CC1C3 ZINC000024657515 558606389 /nfs/dbraw/zinc/60/63/89/558606389.db2.gz XUUHIMJFJDKGQZ-UHFFFAOYSA-N 1 1 400.617 5.191 50 0 HKAAMO COc1ccc(-c2nnc(C[NH2+][C@H](c3ccc(C4CCCCC4)cc3)C(C)C)o2)cc1 ZINC000024716889 558608695 /nfs/dbraw/zinc/60/86/95/558608695.db2.gz OVSRVUBFDMRUAU-VWLOTQADSA-N 1 1 419.569 6.280 50 0 HKAAMO COc1ccc(-c2nnc(C[NH2+][C@@H](c3ccc(C4CCCCC4)cc3)C(C)C)o2)cc1 ZINC000024716892 558608674 /nfs/dbraw/zinc/60/86/74/558608674.db2.gz OVSRVUBFDMRUAU-RUZDIDTESA-N 1 1 419.569 6.280 50 0 HKAAMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000024799151 568465591 /nfs/dbraw/zinc/46/55/91/568465591.db2.gz HCYNNPVBAPUUOZ-UHFFFAOYSA-N 1 1 421.246 5.353 50 0 HKAAMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC(F)(F)F)cc1 ZINC000024799151 568465592 /nfs/dbraw/zinc/46/55/92/568465592.db2.gz HCYNNPVBAPUUOZ-UHFFFAOYSA-N 1 1 421.246 5.353 50 0 HKAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc(Cl)c1Cl ZINC000024979939 558624149 /nfs/dbraw/zinc/62/41/49/558624149.db2.gz LKJUWGXNHHPMTC-UHFFFAOYSA-N 1 1 421.324 5.105 50 0 HKAAMO CC(C)[C@@H]([NH2+]Cc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1 ZINC000024982058 568704012 /nfs/dbraw/zinc/70/40/12/568704012.db2.gz SFOHYBQTXYVIPU-GOSISDBHSA-N 1 1 420.738 5.639 50 0 HKAAMO CC(C)[C@H]([NH2+]Cc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1 ZINC000024982066 568704007 /nfs/dbraw/zinc/70/40/07/568704007.db2.gz SFOHYBQTXYVIPU-SFHVURJKSA-N 1 1 420.738 5.639 50 0 HKAAMO Cc1sc2[nH]c(C[NH2+][C@H](C)c3cccc(Cl)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024984794 568710436 /nfs/dbraw/zinc/71/04/36/568710436.db2.gz PIPBAVNWUPNGRH-CQSZACIVSA-N 1 1 423.969 5.773 50 0 HKAAMO Cc1sc2[nH]c(C[NH2+][C@@H](C)c3cccc(Cl)c3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000024984798 568710237 /nfs/dbraw/zinc/71/02/37/568710237.db2.gz PIPBAVNWUPNGRH-AWEZNQCLSA-N 1 1 423.969 5.773 50 0 HKAAMO C[C@@H](NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 ZINC000024993529 568711552 /nfs/dbraw/zinc/71/15/52/568711552.db2.gz DTOJMBZUCVYXGI-OAHLLOKOSA-N 1 1 413.974 5.007 50 0 HKAAMO C[C@H](NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 ZINC000024993532 568711859 /nfs/dbraw/zinc/71/18/59/568711859.db2.gz DTOJMBZUCVYXGI-HNNXBMFYSA-N 1 1 413.974 5.007 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000025051844 558628727 /nfs/dbraw/zinc/62/87/27/558628727.db2.gz YFUWMMQZPSFPDI-QFQXNSOFSA-N 1 1 424.548 5.520 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000025051849 558628761 /nfs/dbraw/zinc/62/87/61/558628761.db2.gz YFUWMMQZPSFPDI-HFZDXXHNSA-N 1 1 424.548 5.520 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000025051856 558628802 /nfs/dbraw/zinc/62/88/02/558628802.db2.gz YFUWMMQZPSFPDI-RLWLMLJZSA-N 1 1 424.548 5.520 50 0 HKAAMO Cc1ccc(C)c(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 ZINC000025051863 558628792 /nfs/dbraw/zinc/62/87/92/558628792.db2.gz YFUWMMQZPSFPDI-LVXARBLLSA-N 1 1 424.548 5.520 50 0 HKAAMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000025058638 558629482 /nfs/dbraw/zinc/62/94/82/558629482.db2.gz PNIVZLQVOSOHKS-NRFANRHFSA-N 1 1 400.931 5.036 50 0 HKAAMO COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000025058644 558629427 /nfs/dbraw/zinc/62/94/27/558629427.db2.gz PNIVZLQVOSOHKS-OAQYLSRUSA-N 1 1 400.931 5.036 50 0 HKAAMO CC(C)C(=O)Nc1cccc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)c1 ZINC000025061362 568742273 /nfs/dbraw/zinc/74/22/73/568742273.db2.gz GRIZIAZKEZTICA-UHFFFAOYSA-N 1 1 405.523 5.441 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000025414392 568767516 /nfs/dbraw/zinc/76/75/16/568767516.db2.gz KWKKKDFQDMOPAC-SFHVURJKSA-N 1 1 412.839 5.143 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000025414392 568767517 /nfs/dbraw/zinc/76/75/17/568767517.db2.gz KWKKKDFQDMOPAC-SFHVURJKSA-N 1 1 412.839 5.143 50 0 HKAAMO COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000025414396 568767484 /nfs/dbraw/zinc/76/74/84/568767484.db2.gz KWKKKDFQDMOPAC-GOSISDBHSA-N 1 1 412.839 5.143 50 0 HKAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 ZINC000025414396 568767486 /nfs/dbraw/zinc/76/74/86/568767486.db2.gz KWKKKDFQDMOPAC-GOSISDBHSA-N 1 1 412.839 5.143 50 0 HKAAMO Fc1ccc(-c2ccc(OCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2)c(F)c1 ZINC000025560900 558643844 /nfs/dbraw/zinc/64/38/44/558643844.db2.gz IKXMXINSIHVUOC-UHFFFAOYSA-N 1 1 422.519 5.219 50 0 HKAAMO Cc1ccc(NC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000025695069 569012847 /nfs/dbraw/zinc/01/28/47/569012847.db2.gz ZDXKGQMSNOWJBI-UHFFFAOYSA-N 1 1 419.956 5.588 50 0 HKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2C)cc1 ZINC000025783560 558650211 /nfs/dbraw/zinc/65/02/11/558650211.db2.gz ZRFPJWMWNHCZAD-LOSJGSFVSA-N 1 1 406.489 5.108 50 0 HKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2C)cc1 ZINC000025783562 558650050 /nfs/dbraw/zinc/65/00/50/558650050.db2.gz ZRFPJWMWNHCZAD-RPBOFIJWSA-N 1 1 406.489 5.108 50 0 HKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2C)cc1 ZINC000025783563 558650205 /nfs/dbraw/zinc/65/02/05/558650205.db2.gz ZRFPJWMWNHCZAD-DQEYMECFSA-N 1 1 406.489 5.108 50 0 HKAAMO CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025783640 558650198 /nfs/dbraw/zinc/65/01/98/558650198.db2.gz WHHGDRWNLWDZGL-FTJBHMTQSA-N 1 1 420.516 5.362 50 0 HKAAMO CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025783642 558650230 /nfs/dbraw/zinc/65/02/30/558650230.db2.gz WHHGDRWNLWDZGL-UIOOFZCWSA-N 1 1 420.516 5.362 50 0 HKAAMO CCc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025783644 558650139 /nfs/dbraw/zinc/65/01/39/558650139.db2.gz WHHGDRWNLWDZGL-IZZNHLLZSA-N 1 1 420.516 5.362 50 0 HKAAMO CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025783688 558650226 /nfs/dbraw/zinc/65/02/26/558650226.db2.gz BLSZAHCACSVSKA-RPBOFIJWSA-N 1 1 424.479 5.192 50 0 HKAAMO CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025783690 558650216 /nfs/dbraw/zinc/65/02/16/558650216.db2.gz BLSZAHCACSVSKA-DQEYMECFSA-N 1 1 424.479 5.192 50 0 HKAAMO CCc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000025783692 558650092 /nfs/dbraw/zinc/65/00/92/558650092.db2.gz BLSZAHCACSVSKA-LOSJGSFVSA-N 1 1 424.479 5.192 50 0 HKAAMO CC[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(F)cc2cccnc21 ZINC000025931892 558652358 /nfs/dbraw/zinc/65/23/58/558652358.db2.gz DJZJRRKRZXITCX-UHFFFAOYSA-N 1 1 406.288 5.141 50 0 HKAAMO CC[N@@H+](CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(F)cc2cccnc21 ZINC000025931892 558652361 /nfs/dbraw/zinc/65/23/61/558652361.db2.gz DJZJRRKRZXITCX-UHFFFAOYSA-N 1 1 406.288 5.141 50 0 HKAAMO COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1OC ZINC000026771596 569357664 /nfs/dbraw/zinc/35/76/64/569357664.db2.gz KLLUXTMIHCIHJO-MPLKVVTOSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2C/C=C/c2ccccc2)cc1OC ZINC000026771598 569357671 /nfs/dbraw/zinc/35/76/71/569357671.db2.gz KLLUXTMIHCIHJO-AJUBDXFTSA-N 1 1 407.554 5.085 50 0 biogenic HKAAMO O=C(OC[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1-c1ccccc1 ZINC000027193878 558670678 /nfs/dbraw/zinc/67/06/78/558670678.db2.gz FSLPUZLMGFJUNB-XMMPIXPASA-N 1 1 413.561 5.855 50 0 HKAAMO O=C(OC[C@H]1CCC[N@@H+](CCCc2ccccc2)C1)c1ccccc1-c1ccccc1 ZINC000027193885 558670715 /nfs/dbraw/zinc/67/07/15/558670715.db2.gz FSLPUZLMGFJUNB-DEOSSOPVSA-N 1 1 413.561 5.855 50 0 HKAAMO CC(C)C(=O)Nc1cccc(C[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)c1 ZINC000027217558 558671134 /nfs/dbraw/zinc/67/11/34/558671134.db2.gz UJXNYRMZZJXTSF-UHFFFAOYSA-N 1 1 423.944 5.198 50 0 HKAAMO Clc1ccc(-c2noc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 ZINC000027236048 558671261 /nfs/dbraw/zinc/67/12/61/558671261.db2.gz YREXRLJXQIOKHR-UHFFFAOYSA-N 1 1 411.889 5.064 50 0 HKAAMO Clc1ccc(-c2noc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 ZINC000027236048 558671264 /nfs/dbraw/zinc/67/12/64/558671264.db2.gz YREXRLJXQIOKHR-UHFFFAOYSA-N 1 1 411.889 5.064 50 0 HKAAMO COc1cccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+]2CCCC2)c1 ZINC000027341027 558672100 /nfs/dbraw/zinc/67/21/00/558672100.db2.gz QTOSHJUJXHLNQI-GOSISDBHSA-N 1 1 414.958 5.130 50 0 HKAAMO COc1cccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)[NH+]2CCCC2)c1 ZINC000027341029 558672135 /nfs/dbraw/zinc/67/21/35/558672135.db2.gz QTOSHJUJXHLNQI-SFHVURJKSA-N 1 1 414.958 5.130 50 0 HKAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000027543291 558674630 /nfs/dbraw/zinc/67/46/30/558674630.db2.gz OEUJIARPJQZLPW-UHFFFAOYSA-N 1 1 419.960 5.019 50 0 HKAAMO Cc1cc2oc(=O)cc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)c2cc1C ZINC000027574324 558675358 /nfs/dbraw/zinc/67/53/58/558675358.db2.gz RQCMTJODNPKZLP-UHFFFAOYSA-N 1 1 405.494 5.083 50 0 HKAAMO Cc1c(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580557 558675698 /nfs/dbraw/zinc/67/56/98/558675698.db2.gz VCXVLIYBYZLENV-OAQYLSRUSA-N 1 1 424.972 5.968 50 0 HKAAMO Cc1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027580560 558675683 /nfs/dbraw/zinc/67/56/83/558675683.db2.gz VCXVLIYBYZLENV-NRFANRHFSA-N 1 1 424.972 5.968 50 0 HKAAMO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000027583264 558676126 /nfs/dbraw/zinc/67/61/26/558676126.db2.gz RILYXVWSJRYFRC-HXUWFJFHSA-N 1 1 414.908 5.491 50 0 HKAAMO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000027583271 558676182 /nfs/dbraw/zinc/67/61/82/558676182.db2.gz RILYXVWSJRYFRC-FQEVSTJZSA-N 1 1 414.908 5.491 50 0 HKAAMO Cc1c2cc(F)ccc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027662292 558678253 /nfs/dbraw/zinc/67/82/53/558678253.db2.gz DRYYRAQMHKWBIV-LJQANCHMSA-N 1 1 400.881 5.101 50 0 HKAAMO Cc1c2cc(F)ccc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027662294 558678142 /nfs/dbraw/zinc/67/81/42/558678142.db2.gz DRYYRAQMHKWBIV-IBGZPJMESA-N 1 1 400.881 5.101 50 0 HKAAMO Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000027662340 558678149 /nfs/dbraw/zinc/67/81/49/558678149.db2.gz YJIYZJJGQVXBHX-JOCHJYFZSA-N 1 1 424.972 5.968 50 0 HKAAMO Cc1c2ccc(C)c(C)c2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000027662342 558678246 /nfs/dbraw/zinc/67/82/46/558678246.db2.gz YJIYZJJGQVXBHX-QFIPXVFZSA-N 1 1 424.972 5.968 50 0 HKAAMO CCCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663732 558679011 /nfs/dbraw/zinc/67/90/11/558679011.db2.gz CKMKOCYCVCXUHH-JOCHJYFZSA-N 1 1 400.950 5.086 50 0 HKAAMO CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663734 558678942 /nfs/dbraw/zinc/67/89/42/558678942.db2.gz CKMKOCYCVCXUHH-QFIPXVFZSA-N 1 1 400.950 5.086 50 0 HKAAMO CC(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663753 558678938 /nfs/dbraw/zinc/67/89/38/558678938.db2.gz DQOAGCSARZNRLK-HSZRJFAPSA-N 1 1 414.977 5.186 50 0 HKAAMO CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663755 558678927 /nfs/dbraw/zinc/67/89/27/558678927.db2.gz DQOAGCSARZNRLK-QHCPKHFHSA-N 1 1 414.977 5.186 50 0 HKAAMO CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663885 558679190 /nfs/dbraw/zinc/67/91/90/558679190.db2.gz ZZRGWZHRJDXSMP-JOCHJYFZSA-N 1 1 400.950 5.084 50 0 HKAAMO CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027663887 558679260 /nfs/dbraw/zinc/67/92/60/558679260.db2.gz ZZRGWZHRJDXSMP-QFIPXVFZSA-N 1 1 400.950 5.084 50 0 HKAAMO CCCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027664284 558679427 /nfs/dbraw/zinc/67/94/27/558679427.db2.gz JUNZIKYJLUAXOW-OAQYLSRUSA-N 1 1 400.950 5.086 50 0 HKAAMO CCCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000027664285 558679497 /nfs/dbraw/zinc/67/94/97/558679497.db2.gz JUNZIKYJLUAXOW-NRFANRHFSA-N 1 1 400.950 5.086 50 0 HKAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027664514 558679611 /nfs/dbraw/zinc/67/96/11/558679611.db2.gz FSCXFLREYLAUHU-SOSWSAFESA-N 1 1 400.994 5.200 50 0 HKAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1)C12CC3CC(CC(C3)C1)C2 ZINC000027664515 558679650 /nfs/dbraw/zinc/67/96/50/558679650.db2.gz FSCXFLREYLAUHU-NIRMEOIISA-N 1 1 400.994 5.200 50 0 HKAAMO CCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027664516 558679668 /nfs/dbraw/zinc/67/96/68/558679668.db2.gz BGBXYDOHWOYWEW-OAQYLSRUSA-N 1 1 400.950 5.086 50 0 HKAAMO CCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027664517 558679607 /nfs/dbraw/zinc/67/96/07/558679607.db2.gz BGBXYDOHWOYWEW-NRFANRHFSA-N 1 1 400.950 5.086 50 0 HKAAMO CCc1cc([C@H](c2ccncc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000027755712 569393099 /nfs/dbraw/zinc/39/30/99/569393099.db2.gz QDWZKDRBEXLOQO-QFIPXVFZSA-N 1 1 405.567 5.533 50 0 HKAAMO CCc1cc([C@@H](c2ccncc2)[NH+]2CCCCC2)c(NC(=O)c2ccccc2)s1 ZINC000027755721 569393108 /nfs/dbraw/zinc/39/31/08/569393108.db2.gz QDWZKDRBEXLOQO-JOCHJYFZSA-N 1 1 405.567 5.533 50 0 HKAAMO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000027794527 558683094 /nfs/dbraw/zinc/68/30/94/558683094.db2.gz NNVCBTRJUBKBBP-OAQYLSRUSA-N 1 1 410.945 5.660 50 0 HKAAMO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000027794529 558683030 /nfs/dbraw/zinc/68/30/30/558683030.db2.gz NNVCBTRJUBKBBP-NRFANRHFSA-N 1 1 410.945 5.660 50 0 HKAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000027794975 558683047 /nfs/dbraw/zinc/68/30/47/558683047.db2.gz SGTUMBVWBJLRJG-OAHLLOKOSA-N 1 1 404.988 5.573 50 0 HKAAMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1sc2ccccc2c1Cl ZINC000027794978 558683056 /nfs/dbraw/zinc/68/30/56/558683056.db2.gz SGTUMBVWBJLRJG-HNNXBMFYSA-N 1 1 404.988 5.573 50 0 HKAAMO Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027993350 558688753 /nfs/dbraw/zinc/68/87/53/558688753.db2.gz PMYGNDXMDMAQCY-OAQYLSRUSA-N 1 1 424.972 5.968 50 0 HKAAMO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)oc2cc(C)cc(C)c12 ZINC000027993355 558688729 /nfs/dbraw/zinc/68/87/29/558688729.db2.gz PMYGNDXMDMAQCY-NRFANRHFSA-N 1 1 424.972 5.968 50 0 HKAAMO Cc1c(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)oc2cc(C)cc(C)c12 ZINC000027993382 558688761 /nfs/dbraw/zinc/68/87/61/558688761.db2.gz GNKKCGMWHJFFHA-HXUWFJFHSA-N 1 1 410.945 5.578 50 0 HKAAMO Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)oc2cc(C)cc(C)c12 ZINC000027993387 558688821 /nfs/dbraw/zinc/68/88/21/558688821.db2.gz GNKKCGMWHJFFHA-FQEVSTJZSA-N 1 1 410.945 5.578 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)no2)cc1 ZINC000028286852 558694234 /nfs/dbraw/zinc/69/42/34/558694234.db2.gz MOIMSQVRMLDUDS-JOCHJYFZSA-N 1 1 423.944 5.260 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCCC3)no2)cc1 ZINC000028286854 558694213 /nfs/dbraw/zinc/69/42/13/558694213.db2.gz MOIMSQVRMLDUDS-QFIPXVFZSA-N 1 1 423.944 5.260 50 0 HKAAMO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000028287365 558694713 /nfs/dbraw/zinc/69/47/13/558694713.db2.gz FNVLXDOHSKEYMC-OAQYLSRUSA-N 1 1 410.945 5.578 50 0 HKAAMO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000028287368 558694658 /nfs/dbraw/zinc/69/46/58/558694658.db2.gz FNVLXDOHSKEYMC-NRFANRHFSA-N 1 1 410.945 5.578 50 0 HKAAMO Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3Cl)[NH+](C)C)sc2c1 ZINC000028287534 558694652 /nfs/dbraw/zinc/69/46/52/558694652.db2.gz XEZNTQNNOULZOV-INIZCTEOSA-N 1 1 407.366 5.549 50 0 HKAAMO Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccccc3Cl)[NH+](C)C)sc2c1 ZINC000028287537 558694696 /nfs/dbraw/zinc/69/46/96/558694696.db2.gz XEZNTQNNOULZOV-MRXNPFEDSA-N 1 1 407.366 5.549 50 0 HKAAMO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000028287945 558694980 /nfs/dbraw/zinc/69/49/80/558694980.db2.gz IVQNQZABCCSIFC-JOCHJYFZSA-N 1 1 424.972 5.968 50 0 HKAAMO Cc1c2cc(C)c(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000028287947 558694942 /nfs/dbraw/zinc/69/49/42/558694942.db2.gz IVQNQZABCCSIFC-QFIPXVFZSA-N 1 1 424.972 5.968 50 0 HKAAMO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000028289698 558696275 /nfs/dbraw/zinc/69/62/75/558696275.db2.gz HWCYDKVIXOFIDR-OAQYLSRUSA-N 1 1 410.945 5.660 50 0 HKAAMO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000028289701 558696189 /nfs/dbraw/zinc/69/61/89/558696189.db2.gz HWCYDKVIXOFIDR-NRFANRHFSA-N 1 1 410.945 5.660 50 0 HKAAMO O=C(CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000028887745 568812379 /nfs/dbraw/zinc/81/23/79/568812379.db2.gz ZVJBYBAPBUCHQT-HNNXBMFYSA-N 1 1 413.370 5.065 50 0 HKAAMO O=C(CC[N@H+](Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl ZINC000028887751 568812429 /nfs/dbraw/zinc/81/24/29/568812429.db2.gz ZVJBYBAPBUCHQT-OAHLLOKOSA-N 1 1 413.370 5.065 50 0 HKAAMO O=C(Nc1cccc(C[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)c1)C1CCC1 ZINC000028960432 558708050 /nfs/dbraw/zinc/70/80/50/558708050.db2.gz JPHXPPMYWUBCHF-UHFFFAOYSA-N 1 1 417.534 5.585 50 0 HKAAMO C[N@H+](CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)[C@@H]1CCc2ccccc21 ZINC000029483609 522497992 /nfs/dbraw/zinc/49/79/92/522497992.db2.gz HPMYBBMGKNSAJX-CQSZACIVSA-N 1 1 418.151 5.858 50 0 HKAAMO C[N@@H+](CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)[C@@H]1CCc2ccccc21 ZINC000029483609 522498000 /nfs/dbraw/zinc/49/80/00/522498000.db2.gz HPMYBBMGKNSAJX-CQSZACIVSA-N 1 1 418.151 5.858 50 0 HKAAMO C[N@H+](CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)[C@H]1CCc2ccccc21 ZINC000029483612 522497694 /nfs/dbraw/zinc/49/76/94/522497694.db2.gz HPMYBBMGKNSAJX-AWEZNQCLSA-N 1 1 418.151 5.858 50 0 HKAAMO C[N@@H+](CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)[C@H]1CCc2ccccc21 ZINC000029483612 522497703 /nfs/dbraw/zinc/49/77/03/522497703.db2.gz HPMYBBMGKNSAJX-AWEZNQCLSA-N 1 1 418.151 5.858 50 0 HKAAMO COc1ccc(-c2nnc(C[N@H+](CCc3ccccc3)Cc3ccc(C)s3)o2)cc1 ZINC000029594596 558717554 /nfs/dbraw/zinc/71/75/54/558717554.db2.gz LJIPGGADTYZHOR-UHFFFAOYSA-N 1 1 419.550 5.360 50 0 HKAAMO COc1ccc(-c2nnc(C[N@@H+](CCc3ccccc3)Cc3ccc(C)s3)o2)cc1 ZINC000029594596 558717557 /nfs/dbraw/zinc/71/75/57/558717557.db2.gz LJIPGGADTYZHOR-UHFFFAOYSA-N 1 1 419.550 5.360 50 0 HKAAMO O=C(CCCc1nc2ccccc2s1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000029636386 558718211 /nfs/dbraw/zinc/71/82/11/558718211.db2.gz NYMJTZOLXDGHPT-UHFFFAOYSA-N 1 1 414.600 5.090 50 0 HKAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000029922766 558724069 /nfs/dbraw/zinc/72/40/69/558724069.db2.gz ZKGOQCQCEWWMHX-UHFFFAOYSA-N 1 1 422.532 5.067 50 0 HKAAMO COc1ccc(C[N@@H+](Cc2nc(-c3ccco3)no2)[C@@H](C)Cc2cccs2)cc1 ZINC000029967515 558724828 /nfs/dbraw/zinc/72/48/28/558724828.db2.gz YZTOKXZYFOXOJR-INIZCTEOSA-N 1 1 409.511 5.033 50 0 HKAAMO COc1ccc(C[N@@H+](Cc2nc(-c3ccco3)no2)[C@H](C)Cc2cccs2)cc1 ZINC000029967520 558724860 /nfs/dbraw/zinc/72/48/60/558724860.db2.gz YZTOKXZYFOXOJR-MRXNPFEDSA-N 1 1 409.511 5.033 50 0 HKAAMO Clc1ccc(C[NH2+]Cc2ccccc2CN2CCN(c3ccccc3)CC2)s1 ZINC000030913862 558744583 /nfs/dbraw/zinc/74/45/83/558744583.db2.gz IPRHTTSJGYKIAM-UHFFFAOYSA-N 1 1 412.002 5.014 50 0 HKAAMO Clc1ccc(CNCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000030913862 558744584 /nfs/dbraw/zinc/74/45/84/558744584.db2.gz IPRHTTSJGYKIAM-UHFFFAOYSA-N 1 1 412.002 5.014 50 0 HKAAMO O=C(c1ccco1)[C@@H]([C@H](c1ccc(Cl)cc1)N1CCCCC1)[NH+]1CCCCC1 ZINC000032559907 526832264 /nfs/dbraw/zinc/83/22/64/526832264.db2.gz ABBUBZLTHBIYDK-FCHUYYIVSA-N 1 1 400.950 5.197 50 0 HKAAMO O=C(c1ccco1)[C@@H]([C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)N1CCCCC1 ZINC000032559907 526832268 /nfs/dbraw/zinc/83/22/68/526832268.db2.gz ABBUBZLTHBIYDK-FCHUYYIVSA-N 1 1 400.950 5.197 50 0 HKAAMO O=C(c1ccco1)[C@H]([C@H](c1ccc(Cl)cc1)N1CCCCC1)[NH+]1CCCCC1 ZINC000032559909 526832145 /nfs/dbraw/zinc/83/21/45/526832145.db2.gz ABBUBZLTHBIYDK-VXKWHMMOSA-N 1 1 400.950 5.197 50 0 HKAAMO O=C(c1ccco1)[C@H]([C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)N1CCCCC1 ZINC000032559909 526832150 /nfs/dbraw/zinc/83/21/50/526832150.db2.gz ABBUBZLTHBIYDK-VXKWHMMOSA-N 1 1 400.950 5.197 50 0 HKAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000032593459 527659960 /nfs/dbraw/zinc/65/99/60/527659960.db2.gz UXJDYGKBRJKBMF-LJQANCHMSA-N 1 1 406.309 5.029 50 0 HKAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000032593459 527659968 /nfs/dbraw/zinc/65/99/68/527659968.db2.gz UXJDYGKBRJKBMF-LJQANCHMSA-N 1 1 406.309 5.029 50 0 HKAAMO O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000032593460 526288896 /nfs/dbraw/zinc/28/88/96/526288896.db2.gz UXJDYGKBRJKBMF-IBGZPJMESA-N 1 1 406.309 5.029 50 0 HKAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000032593460 526288902 /nfs/dbraw/zinc/28/89/02/526288902.db2.gz UXJDYGKBRJKBMF-IBGZPJMESA-N 1 1 406.309 5.029 50 0 HKAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000032623317 526577694 /nfs/dbraw/zinc/57/76/94/526577694.db2.gz UKXSKWHHVWRXFC-GOSISDBHSA-N 1 1 415.946 5.014 50 0 HKAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cc(-c2cccs2)on1 ZINC000032623319 526490219 /nfs/dbraw/zinc/49/02/19/526490219.db2.gz UKXSKWHHVWRXFC-SFHVURJKSA-N 1 1 415.946 5.014 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)[NH+]3CCCC3)no2)cc1C ZINC000032623335 525724668 /nfs/dbraw/zinc/72/46/68/525724668.db2.gz TZODDFYWLJSTOO-JOCHJYFZSA-N 1 1 423.944 5.179 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)[NH+]3CCCC3)no2)cc1C ZINC000032623337 525725493 /nfs/dbraw/zinc/72/54/93/525725493.db2.gz TZODDFYWLJSTOO-QFIPXVFZSA-N 1 1 423.944 5.179 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)no2)cc1C ZINC000032623988 525725001 /nfs/dbraw/zinc/72/50/01/525725001.db2.gz NHYGVSWNVGCHNJ-JOCHJYFZSA-N 1 1 423.944 5.179 50 0 HKAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)no2)cc1C ZINC000032623991 525725763 /nfs/dbraw/zinc/72/57/63/525725763.db2.gz NHYGVSWNVGCHNJ-QFIPXVFZSA-N 1 1 423.944 5.179 50 0 HKAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1Cl ZINC000032736318 522022296 /nfs/dbraw/zinc/02/22/96/522022296.db2.gz CHZCQFDSLIBFLK-IBGZPJMESA-N 1 1 421.031 5.241 50 0 HKAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1Cl ZINC000032736319 522084366 /nfs/dbraw/zinc/08/43/66/522084366.db2.gz CHZCQFDSLIBFLK-LJQANCHMSA-N 1 1 421.031 5.241 50 0 HKAAMO CCOc1ccc(C[N@@H+](C)Cc2c(-c3ccccc3)nc3ccccn32)cc1OC ZINC000032751343 520961666 /nfs/dbraw/zinc/96/16/66/520961666.db2.gz DBYYNULRJIGCTN-UHFFFAOYSA-N 1 1 401.510 5.041 50 0 HKAAMO Cc1noc(C)c1C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032751369 526500759 /nfs/dbraw/zinc/50/07/59/526500759.db2.gz KAKOERRWOMJNNL-UHFFFAOYSA-N 1 1 406.917 5.430 50 0 HKAAMO Cc1noc(C)c1C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000032751369 526500760 /nfs/dbraw/zinc/50/07/60/526500760.db2.gz KAKOERRWOMJNNL-UHFFFAOYSA-N 1 1 406.917 5.430 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 ZINC000032751421 525250254 /nfs/dbraw/zinc/25/02/54/525250254.db2.gz PUELBQWMRXYWCZ-NRFANRHFSA-N 1 1 410.539 5.173 50 0 HKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 ZINC000032751421 525250265 /nfs/dbraw/zinc/25/02/65/525250265.db2.gz PUELBQWMRXYWCZ-NRFANRHFSA-N 1 1 410.539 5.173 50 0 HKAAMO COc1ccc([C@H]2CCC[N@@H+]2Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 ZINC000032751423 525415607 /nfs/dbraw/zinc/41/56/07/525415607.db2.gz PUELBQWMRXYWCZ-OAQYLSRUSA-N 1 1 410.539 5.173 50 0 HKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 ZINC000032751423 525415615 /nfs/dbraw/zinc/41/56/15/525415615.db2.gz PUELBQWMRXYWCZ-OAQYLSRUSA-N 1 1 410.539 5.173 50 0 HKAAMO COc1ccc(-c2nnc([C@@H](C)[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000032753105 523267320 /nfs/dbraw/zinc/26/73/20/523267320.db2.gz IBFSCMAYXFBIIY-MRXNPFEDSA-N 1 1 400.482 5.077 50 0 HKAAMO COc1ccc(-c2nnc([C@@H](C)[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000032753105 523267333 /nfs/dbraw/zinc/26/73/33/523267333.db2.gz IBFSCMAYXFBIIY-MRXNPFEDSA-N 1 1 400.482 5.077 50 0 HKAAMO COc1ccc(-c2nnc([C@H](C)[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000032753106 523268268 /nfs/dbraw/zinc/26/82/68/523268268.db2.gz IBFSCMAYXFBIIY-INIZCTEOSA-N 1 1 400.482 5.077 50 0 HKAAMO COc1ccc(-c2nnc([C@H](C)[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)o2)cc1 ZINC000032753106 523268273 /nfs/dbraw/zinc/26/82/73/523268273.db2.gz IBFSCMAYXFBIIY-INIZCTEOSA-N 1 1 400.482 5.077 50 0 HKAAMO O=C(c1csc2ccccc12)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000032753570 558599058 /nfs/dbraw/zinc/59/90/58/558599058.db2.gz GWPBAZIFLRXFGW-UHFFFAOYSA-N 1 1 407.926 5.065 50 0 HKAAMO CC(C)Cc1ccc([C@@H]([NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)C(C)C)cc1 ZINC000032759981 519445621 /nfs/dbraw/zinc/44/56/21/519445621.db2.gz WDLFUDPHZVVIJG-QFIPXVFZSA-N 1 1 403.526 5.767 50 0 HKAAMO CC(C)Cc1ccc([C@H]([NH2+]Cc2nc3c4ccccc4oc3c(=O)[nH]2)C(C)C)cc1 ZINC000032759984 519450846 /nfs/dbraw/zinc/45/08/46/519450846.db2.gz WDLFUDPHZVVIJG-JOCHJYFZSA-N 1 1 403.526 5.767 50 0 HKAAMO CCOc1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5s4)CC3)n2)cc1 ZINC000032777153 520828053 /nfs/dbraw/zinc/82/80/53/520828053.db2.gz NRCHQMQUCMSJNO-UHFFFAOYSA-N 1 1 420.538 5.125 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000032800298 524237928 /nfs/dbraw/zinc/23/79/28/524237928.db2.gz NTLJWIMIEKJEDP-WDEREUQCSA-N 1 1 401.721 5.333 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000032800300 524239136 /nfs/dbraw/zinc/23/91/36/524239136.db2.gz NTLJWIMIEKJEDP-QWRGUYRKSA-N 1 1 401.721 5.333 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000032800301 524237326 /nfs/dbraw/zinc/23/73/26/524237326.db2.gz NTLJWIMIEKJEDP-GHMZBOCLSA-N 1 1 401.721 5.333 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000032800303 524240045 /nfs/dbraw/zinc/24/00/45/524240045.db2.gz NTLJWIMIEKJEDP-MNOVXSKESA-N 1 1 401.721 5.333 50 0 HKAAMO Clc1ccc(OCc2cccnc2)c(C[NH2+]C2CCN(Cc3ccccc3)CC2)c1 ZINC000032825978 526958900 /nfs/dbraw/zinc/95/89/00/526958900.db2.gz HTRCYLPSRHVQRZ-UHFFFAOYSA-N 1 1 421.972 5.068 50 0 HKAAMO COc1ccc(-c2nc(C[NH+]3CCC(OCc4ccccc4)CC3)cs2)cc1OC ZINC000032851170 523198312 /nfs/dbraw/zinc/19/83/12/523198312.db2.gz SSFLLTAJIBTBIW-UHFFFAOYSA-N 1 1 424.566 5.009 50 0 HKAAMO Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000032894176 527158133 /nfs/dbraw/zinc/15/81/33/527158133.db2.gz FVNCDVAYXMFRNV-UHFFFAOYSA-N 1 1 415.581 5.797 50 0 HKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 ZINC000032894178 523374925 /nfs/dbraw/zinc/37/49/25/523374925.db2.gz KHWUWEKXFIJDAO-UHFFFAOYSA-N 1 1 404.476 5.651 50 0 HKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1csc(-c2ccccn2)n1)C1CCCCC1 ZINC000032900664 523374760 /nfs/dbraw/zinc/37/47/60/523374760.db2.gz AARNPVSTYBQFTP-UHFFFAOYSA-N 1 1 420.582 5.151 50 0 HKAAMO Cc1c(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cnn1-c1ccccc1F ZINC000032903627 525661074 /nfs/dbraw/zinc/66/10/74/525661074.db2.gz HPBSPUOTKQEICN-UHFFFAOYSA-N 1 1 420.532 5.337 50 0 HKAAMO Cc1noc(-c2ccc(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)cc2)n1 ZINC000032905875 526450584 /nfs/dbraw/zinc/45/05/84/526450584.db2.gz KBWUIHOMJPHCHG-UHFFFAOYSA-N 1 1 404.514 5.062 50 0 HKAAMO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000032931174 526739118 /nfs/dbraw/zinc/73/91/18/526739118.db2.gz SYQFZDZIZSHSHJ-GOSISDBHSA-N 1 1 403.526 5.063 50 0 HKAAMO Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000032931175 526737957 /nfs/dbraw/zinc/73/79/57/526737957.db2.gz SYQFZDZIZSHSHJ-SFHVURJKSA-N 1 1 403.526 5.063 50 0 HKAAMO COc1ccccc1-c1nnc(SCC[C@@H]2CCCC[N@H+]2C)n1-c1ccc(C)cc1 ZINC000032944878 524291213 /nfs/dbraw/zinc/29/12/13/524291213.db2.gz MAGNQAMQDVXPPN-IBGZPJMESA-N 1 1 422.598 5.218 50 0 HKAAMO COc1ccccc1-c1nnc(SCC[C@H]2CCCC[N@H+]2C)n1-c1ccc(C)cc1 ZINC000032944880 524290619 /nfs/dbraw/zinc/29/06/19/524290619.db2.gz MAGNQAMQDVXPPN-LJQANCHMSA-N 1 1 422.598 5.218 50 0 HKAAMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)sc2C1 ZINC000032969105 521724972 /nfs/dbraw/zinc/72/49/72/521724972.db2.gz SLBQWUZXEMJZAX-UHFFFAOYSA-N 1 1 420.563 5.050 50 0 HKAAMO CC[N@H+]1CCc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)sc2C1 ZINC000032969105 521724973 /nfs/dbraw/zinc/72/49/73/521724973.db2.gz SLBQWUZXEMJZAX-UHFFFAOYSA-N 1 1 420.563 5.050 50 0 HKAAMO C[N@@H+](CC1CCN(c2ncccc2NC(=O)Nc2ccccc2)CC1)C1CCCCC1 ZINC000033009156 569057738 /nfs/dbraw/zinc/05/77/38/569057738.db2.gz BQGDGPBGOOCTGC-UHFFFAOYSA-N 1 1 421.589 5.207 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)[nH+]1 ZINC000033014156 558834220 /nfs/dbraw/zinc/83/42/20/558834220.db2.gz CLKMGNTZNQURLM-UHFFFAOYSA-N 1 1 421.589 5.818 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033014156 558834222 /nfs/dbraw/zinc/83/42/22/558834222.db2.gz CLKMGNTZNQURLM-UHFFFAOYSA-N 1 1 421.589 5.818 50 0 HKAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)oc3ccc(OC)cc23)cc1 ZINC000033018710 558759985 /nfs/dbraw/zinc/75/99/85/558759985.db2.gz GOCYPXMVHFDZAE-UHFFFAOYSA-N 1 1 415.489 5.013 50 0 HKAAMO COc1ccc(C[N@H+](Cc2cc(=O)oc3c(C)cc(C)cc23)CC(C)C)cc1OC ZINC000033018769 558759995 /nfs/dbraw/zinc/75/99/95/558759995.db2.gz QJOTYYKEYCBFRB-UHFFFAOYSA-N 1 1 409.526 5.085 50 0 HKAAMO Cc1cc(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036825 558860654 /nfs/dbraw/zinc/86/06/54/558860654.db2.gz PGWNAOHSOGHJFM-LJQANCHMSA-N 1 1 419.544 5.344 50 0 HKAAMO Cc1cc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c2cccc(-c3ccc(F)cc3)c2n1 ZINC000033036827 568510861 /nfs/dbraw/zinc/51/08/61/568510861.db2.gz PGWNAOHSOGHJFM-IBGZPJMESA-N 1 1 419.544 5.344 50 0 HKAAMO Cc1ccc(-c2cccc3c(C(=O)NCC[N@H+](C)Cc4ccccc4)cc(C)nc23)cc1 ZINC000033036957 525757247 /nfs/dbraw/zinc/75/72/47/525757247.db2.gz SMNHBRUKGJNCRY-UHFFFAOYSA-N 1 1 423.560 5.380 50 0 HKAAMO Cc1ccc(-c2cccc3c(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc(C)nc23)cc1 ZINC000033036960 525757681 /nfs/dbraw/zinc/75/76/81/525757681.db2.gz VEEFGRIMSXSOBV-HXUWFJFHSA-N 1 1 401.554 5.123 50 0 HKAAMO Cc1ccc(-c2cccc3c(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc(C)nc23)cc1 ZINC000033036962 525757760 /nfs/dbraw/zinc/75/77/60/525757760.db2.gz VEEFGRIMSXSOBV-FQEVSTJZSA-N 1 1 401.554 5.123 50 0 HKAAMO Cc1ccc(-c2cccc3c(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)cc(C)nc23)cc1 ZINC000033036967 525757227 /nfs/dbraw/zinc/75/72/27/525757227.db2.gz BDIDAKDCUFYPHY-HXUWFJFHSA-N 1 1 415.581 5.370 50 0 HKAAMO Cc1ccc(-c2cccc3c(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)cc(C)nc23)cc1 ZINC000033036969 525756873 /nfs/dbraw/zinc/75/68/73/525756873.db2.gz BDIDAKDCUFYPHY-FQEVSTJZSA-N 1 1 415.581 5.370 50 0 HKAAMO Cc1ccc(C)n1-c1c2cccnc2sc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000033059983 558954165 /nfs/dbraw/zinc/95/41/65/558954165.db2.gz OBWXVZNNRQQEOD-UHFFFAOYSA-N 1 1 424.614 5.088 50 0 HKAAMO CC(C)C[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068904 558970645 /nfs/dbraw/zinc/97/06/45/558970645.db2.gz WBIPLWLSLKHSOR-UHFFFAOYSA-N 1 1 421.541 5.220 50 0 HKAAMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068942 558978490 /nfs/dbraw/zinc/97/84/90/558978490.db2.gz MIEYUVDEGQFEKW-UHFFFAOYSA-N 1 1 403.551 5.144 50 0 HKAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC(C)C)cc1 ZINC000033068946 558978460 /nfs/dbraw/zinc/97/84/60/558978460.db2.gz PBZUGMSLMNTPFE-UHFFFAOYSA-N 1 1 417.578 5.390 50 0 HKAAMO CCC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033069031 558982636 /nfs/dbraw/zinc/98/26/36/558982636.db2.gz HTYKXECGPOHLMN-UHFFFAOYSA-N 1 1 409.599 5.170 50 0 HKAAMO CC(C)C[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000033069033 558982693 /nfs/dbraw/zinc/98/26/93/558982693.db2.gz MIOJTMKNGNMNKC-UHFFFAOYSA-N 1 1 423.626 5.416 50 0 HKAAMO CC(C)c1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000033069040 558982843 /nfs/dbraw/zinc/98/28/43/558982843.db2.gz SYASMIAUHMYJHD-UHFFFAOYSA-N 1 1 403.551 5.082 50 0 HKAAMO CC(C)c1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1 ZINC000033069040 558982846 /nfs/dbraw/zinc/98/28/46/558982846.db2.gz SYASMIAUHMYJHD-UHFFFAOYSA-N 1 1 403.551 5.082 50 0 HKAAMO Cc1csc2nc(C[N@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc(=O)n12 ZINC000033069041 558982984 /nfs/dbraw/zinc/98/29/84/558982984.db2.gz BQYGQZQYLUFJGD-UHFFFAOYSA-N 1 1 417.578 5.390 50 0 HKAAMO Cc1cn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000033069043 558982976 /nfs/dbraw/zinc/98/29/76/558982976.db2.gz PDRLVCBOANNAGP-UHFFFAOYSA-N 1 1 417.578 5.390 50 0 HKAAMO Cc1cn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000033069043 558982978 /nfs/dbraw/zinc/98/29/78/558982978.db2.gz PDRLVCBOANNAGP-UHFFFAOYSA-N 1 1 417.578 5.390 50 0 HKAAMO COC(=O)Cn1cc(C[N@H+]2CCCCC[C@@H]2c2cccs2)c2cc(OC)ccc21 ZINC000033087048 558760702 /nfs/dbraw/zinc/76/07/02/558760702.db2.gz RBZMRDCFWMMBFD-OAQYLSRUSA-N 1 1 412.555 5.002 50 0 HKAAMO COC(=O)Cn1cc(C[N@H+]2CCCCC[C@H]2c2cccs2)c2cc(OC)ccc21 ZINC000033087049 558760527 /nfs/dbraw/zinc/76/05/27/558760527.db2.gz RBZMRDCFWMMBFD-NRFANRHFSA-N 1 1 412.555 5.002 50 0 HKAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1COCC(F)(F)F ZINC000033087068 558760598 /nfs/dbraw/zinc/76/05/98/558760598.db2.gz WAGAMDJBTGTTLN-GOSISDBHSA-N 1 1 413.505 5.953 50 0 HKAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1COCC(F)(F)F ZINC000033087069 558760535 /nfs/dbraw/zinc/76/05/35/558760535.db2.gz WAGAMDJBTGTTLN-SFHVURJKSA-N 1 1 413.505 5.953 50 0 HKAAMO c1csc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087084 558760743 /nfs/dbraw/zinc/76/07/43/558760743.db2.gz XUOVWXFZIGSYOW-NRFANRHFSA-N 1 1 419.619 6.780 50 0 HKAAMO c1csc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087085 558760680 /nfs/dbraw/zinc/76/06/80/558760680.db2.gz XUOVWXFZIGSYOW-OAQYLSRUSA-N 1 1 419.619 6.780 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033140085 558891678 /nfs/dbraw/zinc/89/16/78/558891678.db2.gz JAQSPSXTJYIDAC-UHFFFAOYSA-N 1 1 407.901 5.508 50 0 HKAAMO COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033140085 558891681 /nfs/dbraw/zinc/89/16/81/558891681.db2.gz JAQSPSXTJYIDAC-UHFFFAOYSA-N 1 1 407.901 5.508 50 0 HKAAMO CCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033140086 558891649 /nfs/dbraw/zinc/89/16/49/558891649.db2.gz KHGGHZXFAZLLFM-UHFFFAOYSA-N 1 1 415.493 5.023 50 0 HKAAMO CCOC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033140086 558891652 /nfs/dbraw/zinc/89/16/52/558891652.db2.gz KHGGHZXFAZLLFM-UHFFFAOYSA-N 1 1 415.493 5.023 50 0 HKAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)Nc1ccccc1Br ZINC000033140092 558891594 /nfs/dbraw/zinc/89/15/94/558891594.db2.gz NBSWIWSEMLMCPN-UHFFFAOYSA-N 1 1 422.326 5.609 50 0 HKAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)Nc1ccccc1Br ZINC000033140092 558891596 /nfs/dbraw/zinc/89/15/96/558891596.db2.gz NBSWIWSEMLMCPN-UHFFFAOYSA-N 1 1 422.326 5.609 50 0 HKAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)Nc1cccc(Br)c1 ZINC000033140094 558891640 /nfs/dbraw/zinc/89/16/40/558891640.db2.gz TXIBEHMMTFJJQB-UHFFFAOYSA-N 1 1 422.326 5.609 50 0 HKAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)Nc1cccc(Br)c1 ZINC000033140094 558891644 /nfs/dbraw/zinc/89/16/44/558891644.db2.gz TXIBEHMMTFJJQB-UHFFFAOYSA-N 1 1 422.326 5.609 50 0 HKAAMO CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000033140095 558891658 /nfs/dbraw/zinc/89/16/58/558891658.db2.gz QQCZDTFZVOPACD-UHFFFAOYSA-N 1 1 415.493 5.023 50 0 HKAAMO CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)C[N@H+](Cc2ccccc2)C3)cc1 ZINC000033140095 558891661 /nfs/dbraw/zinc/89/16/61/558891661.db2.gz QQCZDTFZVOPACD-UHFFFAOYSA-N 1 1 415.493 5.023 50 0 HKAAMO O=C(Nc1ccc(Br)cc1)Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2 ZINC000033140098 558891621 /nfs/dbraw/zinc/89/16/21/558891621.db2.gz GJUJVVKAUNCYTR-UHFFFAOYSA-N 1 1 422.326 5.609 50 0 HKAAMO O=C(Nc1ccc(Br)cc1)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC000033140098 558891623 /nfs/dbraw/zinc/89/16/23/558891623.db2.gz GJUJVVKAUNCYTR-UHFFFAOYSA-N 1 1 422.326 5.609 50 0 HKAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccccc1)C2)Nc1cccc(C(F)(F)F)c1 ZINC000033140106 558892026 /nfs/dbraw/zinc/89/20/26/558892026.db2.gz XPGKLVRBMIHDCL-UHFFFAOYSA-N 1 1 411.427 5.865 50 0 HKAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2)Nc1cccc(C(F)(F)F)c1 ZINC000033140106 558892029 /nfs/dbraw/zinc/89/20/29/558892029.db2.gz XPGKLVRBMIHDCL-UHFFFAOYSA-N 1 1 411.427 5.865 50 0 HKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@@H+](C)CC4)c1 ZINC000033265603 558985736 /nfs/dbraw/zinc/98/57/36/558985736.db2.gz MQICLDAUIPUCOH-KRWDZBQOSA-N 1 1 420.582 5.252 50 0 HKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@H+](C)CC4)c1 ZINC000033265603 558985738 /nfs/dbraw/zinc/98/57/38/558985738.db2.gz MQICLDAUIPUCOH-KRWDZBQOSA-N 1 1 420.582 5.252 50 0 HKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@@H+](C)CC4)c1 ZINC000033265604 558985823 /nfs/dbraw/zinc/98/58/23/558985823.db2.gz MQICLDAUIPUCOH-QGZVFWFLSA-N 1 1 420.582 5.252 50 0 HKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@H+](C)CC4)c1 ZINC000033265604 558985826 /nfs/dbraw/zinc/98/58/26/558985826.db2.gz MQICLDAUIPUCOH-QGZVFWFLSA-N 1 1 420.582 5.252 50 0 HKAAMO CC(C)C[N@@H+](Cc1ccccc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268792 558992967 /nfs/dbraw/zinc/99/29/67/558992967.db2.gz JNWKQQGSNZCMFT-UHFFFAOYSA-N 1 1 403.551 5.081 50 0 HKAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268804 558993143 /nfs/dbraw/zinc/99/31/43/558993143.db2.gz BXLYXJLSFQVQIH-UHFFFAOYSA-N 1 1 409.942 5.099 50 0 HKAAMO CCC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268808 558993104 /nfs/dbraw/zinc/99/31/04/558993104.db2.gz DBOWXWPSWCKQNF-UHFFFAOYSA-N 1 1 423.969 5.489 50 0 HKAAMO CC[N@@H+](Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033268849 558993183 /nfs/dbraw/zinc/99/31/83/558993183.db2.gz FYFIWQIENIKLDM-UHFFFAOYSA-N 1 1 417.578 5.569 50 0 HKAAMO Cc1ccc(C(=O)Nc2ccc3[nH+]c(-c4ccccc4)cc(N4CCOCC4)c3c2)cc1 ZINC000033310103 559053787 /nfs/dbraw/zinc/05/37/87/559053787.db2.gz UAHWPFLUXXMFRJ-UHFFFAOYSA-N 1 1 423.516 5.299 50 0 HKAAMO Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)C4CCCC4)ccc3[nH+]2)cc1 ZINC000033310106 559053797 /nfs/dbraw/zinc/05/37/97/559053797.db2.gz JJRDTNUWNMEXDP-UHFFFAOYSA-N 1 1 415.537 5.176 50 0 HKAAMO Cc1nc(N2CCCC2)cc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)[nH+]1 ZINC000033318332 559055830 /nfs/dbraw/zinc/05/58/30/559055830.db2.gz AUEOXIURKPSPGA-UHFFFAOYSA-N 1 1 407.562 5.428 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)cc(N2CCCC2)[nH+]1 ZINC000033318332 559055831 /nfs/dbraw/zinc/05/58/31/559055831.db2.gz AUEOXIURKPSPGA-UHFFFAOYSA-N 1 1 407.562 5.428 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)[nH+]1 ZINC000033318345 559055836 /nfs/dbraw/zinc/05/58/36/559055836.db2.gz LLSWHCUWKHWDFR-UHFFFAOYSA-N 1 1 415.541 5.090 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033318345 559055838 /nfs/dbraw/zinc/05/58/38/559055838.db2.gz LLSWHCUWKHWDFR-UHFFFAOYSA-N 1 1 415.541 5.090 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1C ZINC000033318556 559055875 /nfs/dbraw/zinc/05/58/75/559055875.db2.gz SUCHWPJJHAOQJZ-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1C ZINC000033318556 559055877 /nfs/dbraw/zinc/05/58/77/559055877.db2.gz SUCHWPJJHAOQJZ-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318559 559056099 /nfs/dbraw/zinc/05/60/99/559056099.db2.gz PTZJXRNXQLTIHL-UHFFFAOYSA-N 1 1 402.502 5.081 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033318559 559056100 /nfs/dbraw/zinc/05/61/00/559056100.db2.gz PTZJXRNXQLTIHL-UHFFFAOYSA-N 1 1 402.502 5.081 50 0 HKAAMO CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318565 559056026 /nfs/dbraw/zinc/05/60/26/559056026.db2.gz CJJCVMDKZYPMES-UHFFFAOYSA-N 1 1 416.529 5.335 50 0 HKAAMO CCc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033318565 559056028 /nfs/dbraw/zinc/05/60/28/559056028.db2.gz CJJCVMDKZYPMES-UHFFFAOYSA-N 1 1 416.529 5.335 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)[nH+]1 ZINC000033318576 559056103 /nfs/dbraw/zinc/05/61/03/559056103.db2.gz AWGFRAIHSXVJRX-UHFFFAOYSA-N 1 1 402.502 5.163 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033318576 559056104 /nfs/dbraw/zinc/05/61/04/559056104.db2.gz AWGFRAIHSXVJRX-UHFFFAOYSA-N 1 1 402.502 5.163 50 0 HKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033318580 559056047 /nfs/dbraw/zinc/05/60/47/559056047.db2.gz KTCLFAVAEGOHFL-UHFFFAOYSA-N 1 1 416.529 5.471 50 0 HKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)c1 ZINC000033318580 559056049 /nfs/dbraw/zinc/05/60/49/559056049.db2.gz KTCLFAVAEGOHFL-UHFFFAOYSA-N 1 1 416.529 5.471 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318582 559056066 /nfs/dbraw/zinc/05/60/66/559056066.db2.gz DQPYFUPISLUPHO-UHFFFAOYSA-N 1 1 416.529 5.471 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033318582 559056067 /nfs/dbraw/zinc/05/60/67/559056067.db2.gz DQPYFUPISLUPHO-UHFFFAOYSA-N 1 1 416.529 5.471 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)[nH+]1 ZINC000033318584 559056053 /nfs/dbraw/zinc/05/60/53/559056053.db2.gz FFFXTLYNUCWTMA-UHFFFAOYSA-N 1 1 420.492 5.302 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033318584 559056055 /nfs/dbraw/zinc/05/60/55/559056055.db2.gz FFFXTLYNUCWTMA-UHFFFAOYSA-N 1 1 420.492 5.302 50 0 HKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)[nH+]1 ZINC000033318586 568513909 /nfs/dbraw/zinc/51/39/09/568513909.db2.gz ZSSORRGWKQREFI-UHFFFAOYSA-N 1 1 420.492 5.302 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)cc(N2CCCCC2)[nH+]1 ZINC000033318586 568513910 /nfs/dbraw/zinc/51/39/10/568513910.db2.gz ZSSORRGWKQREFI-UHFFFAOYSA-N 1 1 420.492 5.302 50 0 HKAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)[nH+]1 ZINC000033326681 559059467 /nfs/dbraw/zinc/05/94/67/559059467.db2.gz DMLAMQOSEZQPKZ-UHFFFAOYSA-N 1 1 412.497 5.392 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)cc(N(C)C)[nH+]1 ZINC000033326681 559059468 /nfs/dbraw/zinc/05/94/68/559059468.db2.gz DMLAMQOSEZQPKZ-UHFFFAOYSA-N 1 1 412.497 5.392 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1F ZINC000033326693 559059457 /nfs/dbraw/zinc/05/94/57/559059457.db2.gz OWYLOPPAJPKBPG-UHFFFAOYSA-N 1 1 420.492 5.220 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1F ZINC000033326693 559059458 /nfs/dbraw/zinc/05/94/58/559059458.db2.gz OWYLOPPAJPKBPG-UHFFFAOYSA-N 1 1 420.492 5.220 50 0 HKAAMO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000033326703 559059492 /nfs/dbraw/zinc/05/94/92/559059492.db2.gz KRTTYVCSDSPDLS-UHFFFAOYSA-N 1 1 416.529 5.335 50 0 HKAAMO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000033326703 559059493 /nfs/dbraw/zinc/05/94/93/559059493.db2.gz KRTTYVCSDSPDLS-UHFFFAOYSA-N 1 1 416.529 5.335 50 0 HKAAMO Cc1nc(NC2CCCCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)[nH+]1 ZINC000033326737 559059474 /nfs/dbraw/zinc/05/94/74/559059474.db2.gz KHWDJZHRTMEMFS-UHFFFAOYSA-N 1 1 416.529 5.917 50 0 HKAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(NC2CCCCC2)[nH+]1 ZINC000033326737 559059475 /nfs/dbraw/zinc/05/94/75/559059475.db2.gz KHWDJZHRTMEMFS-UHFFFAOYSA-N 1 1 416.529 5.917 50 0 HKAAMO C[NH+]1CCN([P@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)CC1 ZINC000033402533 568697189 /nfs/dbraw/zinc/69/71/89/568697189.db2.gz DFHLWTZISUGNQT-ARHRGINZSA-N 1 1 421.308 5.987 50 0 HKAAMO C[NH+]1CCN([P@@](=O)(/C=C(/Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)CC1 ZINC000033402533 568697192 /nfs/dbraw/zinc/69/71/92/568697192.db2.gz DFHLWTZISUGNQT-ARHRGINZSA-N 1 1 421.308 5.987 50 0 HKAAMO O=C(NCc1cccc(F)c1)c1ccccc1SC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000033435704 559192878 /nfs/dbraw/zinc/19/28/78/559192878.db2.gz LPNFTHYQNAWEIM-UGKGYDQZSA-N 1 1 412.574 5.112 50 0 HKAAMO O=C(NCc1cccc(F)c1)c1ccccc1SC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000033435705 559192876 /nfs/dbraw/zinc/19/28/76/559192876.db2.gz LPNFTHYQNAWEIM-KNQAVFIVSA-N 1 1 412.574 5.112 50 0 HKAAMO Cc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1C ZINC000033435706 559192897 /nfs/dbraw/zinc/19/28/97/559192897.db2.gz USTZOLMUDCRMRV-REWPJTCUSA-N 1 1 408.611 5.912 50 0 HKAAMO Cc1cccc(NC(=O)c2ccccc2SC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1C ZINC000033435707 559192884 /nfs/dbraw/zinc/19/28/84/559192884.db2.gz USTZOLMUDCRMRV-OFNKIYASSA-N 1 1 408.611 5.912 50 0 HKAAMO C[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000033506258 558769204 /nfs/dbraw/zinc/76/92/04/558769204.db2.gz JKJGWNLFPHYECD-JOCHJYFZSA-N 1 1 413.561 5.792 50 0 HKAAMO C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000033506259 558769141 /nfs/dbraw/zinc/76/91/41/558769141.db2.gz JKJGWNLFPHYECD-QFIPXVFZSA-N 1 1 413.561 5.792 50 0 HKAAMO COc1cccc(C[N@@H+](Cc2cccn2Cc2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000033651374 559226139 /nfs/dbraw/zinc/22/61/39/559226139.db2.gz WSVWXAFMJOHYFE-UHFFFAOYSA-N 1 1 414.471 5.728 50 0 HKAAMO C[C@@H]1C[N@H+](C)[C@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000034087010 568528999 /nfs/dbraw/zinc/52/89/99/568528999.db2.gz NATIKTRDTUWVJS-CHWSQXEVSA-N 1 1 407.495 5.512 50 0 HKAAMO C[C@@H]1C[N@@H+](C)[C@H](C)c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc21 ZINC000034087010 568529000 /nfs/dbraw/zinc/52/90/00/568529000.db2.gz NATIKTRDTUWVJS-CHWSQXEVSA-N 1 1 407.495 5.512 50 0 HKAAMO C[C@@H]1c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc2[C@@H](C)C[N@@H+]1C ZINC000034087011 568528985 /nfs/dbraw/zinc/52/89/85/568528985.db2.gz NATIKTRDTUWVJS-QWHCGFSZSA-N 1 1 407.495 5.512 50 0 HKAAMO C[C@@H]1c2c3cc(NC(=O)c4ncoc4-c4cccs4)ccc3oc2[C@@H](C)C[N@H+]1C ZINC000034087011 568528986 /nfs/dbraw/zinc/52/89/86/568528986.db2.gz NATIKTRDTUWVJS-QWHCGFSZSA-N 1 1 407.495 5.512 50 0 HKAAMO CC(C)(C)OC(=O)[C@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034309850 560603202 /nfs/dbraw/zinc/60/32/02/560603202.db2.gz VVIZBZVUAOGUBQ-HSZRJFAPSA-N 1 1 419.590 5.381 50 0 HKAAMO CC(C)(C)OC(=O)[C@@H]([NH3+])CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000034309852 569039315 /nfs/dbraw/zinc/03/93/15/569039315.db2.gz VVIZBZVUAOGUBQ-QHCPKHFHSA-N 1 1 419.590 5.381 50 0 HKAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)CC2)cc1C ZINC000034668122 557361659 /nfs/dbraw/zinc/36/16/59/557361659.db2.gz ZHSFEMPKWNPFSS-UHFFFAOYSA-N 1 1 417.528 5.017 50 0 HKAAMO O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669591 557362718 /nfs/dbraw/zinc/36/27/18/557362718.db2.gz AKVXOEGJJITXDW-ILBGXUMGSA-N 1 1 402.513 5.095 50 0 HKAAMO O=C(NCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669593 557362737 /nfs/dbraw/zinc/36/27/37/557362737.db2.gz AKVXOEGJJITXDW-UKILVPOCSA-N 1 1 402.513 5.095 50 0 HKAAMO O=C(NCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669595 557362604 /nfs/dbraw/zinc/36/26/04/557362604.db2.gz AKVXOEGJJITXDW-NOZRDPDXSA-N 1 1 402.513 5.095 50 0 HKAAMO O=C(NCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669599 557362747 /nfs/dbraw/zinc/36/27/47/557362747.db2.gz AKVXOEGJJITXDW-ZCYQVOJMSA-N 1 1 402.513 5.095 50 0 HKAAMO O=C(NCCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669648 557362762 /nfs/dbraw/zinc/36/27/62/557362762.db2.gz LIWJIDCQTAQKBS-AOYPEHQESA-N 1 1 416.540 5.138 50 0 HKAAMO O=C(NCCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669650 557362594 /nfs/dbraw/zinc/36/25/94/557362594.db2.gz LIWJIDCQTAQKBS-AZGAKELHSA-N 1 1 416.540 5.138 50 0 HKAAMO O=C(NCCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669652 557362726 /nfs/dbraw/zinc/36/27/26/557362726.db2.gz LIWJIDCQTAQKBS-RSXGOPAZSA-N 1 1 416.540 5.138 50 0 HKAAMO O=C(NCCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669654 557362645 /nfs/dbraw/zinc/36/26/45/557362645.db2.gz LIWJIDCQTAQKBS-AHWVRZQESA-N 1 1 416.540 5.138 50 0 HKAAMO O=C(NCc1ccccc1F)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669712 557362657 /nfs/dbraw/zinc/36/26/57/557362657.db2.gz YIZVACURQJYMMC-DHLKQENFSA-N 1 1 420.503 5.235 50 0 HKAAMO O=C(NCc1ccccc1F)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669714 557362579 /nfs/dbraw/zinc/36/25/79/557362579.db2.gz YIZVACURQJYMMC-WIOPSUGQSA-N 1 1 420.503 5.235 50 0 HKAAMO O=C(NCc1ccccc1F)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669717 557362878 /nfs/dbraw/zinc/36/28/78/557362878.db2.gz YIZVACURQJYMMC-RDGATRHJSA-N 1 1 420.503 5.235 50 0 HKAAMO O=C(NCc1ccccc1F)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669719 557362989 /nfs/dbraw/zinc/36/29/89/557362989.db2.gz YIZVACURQJYMMC-RCZVLFRGSA-N 1 1 420.503 5.235 50 0 HKAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669730 557363020 /nfs/dbraw/zinc/36/30/20/557363020.db2.gz WQLXOFWOZHNBQQ-AOYPEHQESA-N 1 1 416.540 5.438 50 0 HKAAMO CN(Cc1ccccc1)C(=O)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669732 557362904 /nfs/dbraw/zinc/36/29/04/557362904.db2.gz WQLXOFWOZHNBQQ-AZGAKELHSA-N 1 1 416.540 5.438 50 0 HKAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669734 557363052 /nfs/dbraw/zinc/36/30/52/557363052.db2.gz WQLXOFWOZHNBQQ-RSXGOPAZSA-N 1 1 416.540 5.438 50 0 HKAAMO CN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)C1 ZINC000034669736 557363043 /nfs/dbraw/zinc/36/30/43/557363043.db2.gz WQLXOFWOZHNBQQ-AHWVRZQESA-N 1 1 416.540 5.438 50 0 HKAAMO Cc1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C(=O)N[C@@H](C)c3ccccc3)o2)s1 ZINC000034670189 557363099 /nfs/dbraw/zinc/36/30/99/557363099.db2.gz BTHXNZDDJUXMQC-FQEVSTJZSA-N 1 1 424.610 6.189 50 0 HKAAMO Cc1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C(=O)N[C@H](C)c3ccccc3)o2)s1 ZINC000034670191 557363074 /nfs/dbraw/zinc/36/30/74/557363074.db2.gz BTHXNZDDJUXMQC-HXUWFJFHSA-N 1 1 424.610 6.189 50 0 HKAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)C1 ZINC000034670370 557363084 /nfs/dbraw/zinc/36/30/84/557363084.db2.gz UHWQVNYYEARZQB-XMMPIXPASA-N 1 1 400.522 5.191 50 0 HKAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cncc(-c3ccc(-c4ccccc4)cc3)c2)C1 ZINC000034670372 557363104 /nfs/dbraw/zinc/36/31/04/557363104.db2.gz UHWQVNYYEARZQB-DEOSSOPVSA-N 1 1 400.522 5.191 50 0 HKAAMO CC(C)c1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)C4CCCC4)cn3)CC2)cc1 ZINC000034681739 557383593 /nfs/dbraw/zinc/38/35/93/557383593.db2.gz RKETUUBIFZCHKI-UHFFFAOYSA-N 1 1 420.601 5.046 50 0 HKAAMO CC(C)CC(=O)N(c1ccccc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682515 557384193 /nfs/dbraw/zinc/38/41/93/557384193.db2.gz YXQGPACJEFYMCP-UHFFFAOYSA-N 1 1 418.503 5.749 50 0 HKAAMO CCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682618 557384302 /nfs/dbraw/zinc/38/43/02/557384302.db2.gz WCXRBSHIPIQBRQ-UHFFFAOYSA-N 1 1 408.439 5.252 50 0 HKAAMO CCCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682756 557384873 /nfs/dbraw/zinc/38/48/73/557384873.db2.gz FQATWFMZVWKBTA-UHFFFAOYSA-N 1 1 422.466 5.642 50 0 HKAAMO CCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682930 557384991 /nfs/dbraw/zinc/38/49/91/557384991.db2.gz GGZLBAQUZUGADU-UHFFFAOYSA-N 1 1 404.476 5.421 50 0 HKAAMO CC(C)CC(=O)N(c1ccccc1)C1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000034683482 557386500 /nfs/dbraw/zinc/38/65/00/557386500.db2.gz SZLXPPWQGNPIGT-UHFFFAOYSA-N 1 1 402.941 5.523 50 0 HKAAMO Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C[N@H+](C)C2CCCCC2)cc1 ZINC000034697798 557380658 /nfs/dbraw/zinc/38/06/58/557380658.db2.gz SVAINLIAKBFDKU-DHLKQENFSA-N 1 1 408.561 5.254 50 0 HKAAMO Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@@H]2C[N@H+](C)C2CCCCC2)cc1 ZINC000034697799 557380772 /nfs/dbraw/zinc/38/07/72/557380772.db2.gz SVAINLIAKBFDKU-WIOPSUGQSA-N 1 1 408.561 5.254 50 0 HKAAMO Cc1ccc([C@@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C[N@H+](C)C2CCCCC2)cc1 ZINC000034697800 557380788 /nfs/dbraw/zinc/38/07/88/557380788.db2.gz SVAINLIAKBFDKU-RDGATRHJSA-N 1 1 408.561 5.254 50 0 HKAAMO Cc1ccc([C@H]2CN(C(=O)c3ccc(F)cc3)C[C@H]2C[N@H+](C)C2CCCCC2)cc1 ZINC000034697801 557380777 /nfs/dbraw/zinc/38/07/77/557380777.db2.gz SVAINLIAKBFDKU-RCZVLFRGSA-N 1 1 408.561 5.254 50 0 HKAAMO Cc1ccc(C(=O)N2C[C@H](C[N@H+](C)C3CCCCC3)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000034697818 557380718 /nfs/dbraw/zinc/38/07/18/557380718.db2.gz DKXILFKQUWQFGT-AHWVRZQESA-N 1 1 404.598 5.424 50 0 HKAAMO Cc1ccc(C(=O)N2C[C@H](C[N@H+](C)C3CCCCC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000034697819 557380666 /nfs/dbraw/zinc/38/06/66/557380666.db2.gz DKXILFKQUWQFGT-AZGAKELHSA-N 1 1 404.598 5.424 50 0 HKAAMO Cc1ccc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@H](C[N@H+](C)C3CCCCC3)C2)cc1 ZINC000034697820 557380745 /nfs/dbraw/zinc/38/07/45/557380745.db2.gz DKXILFKQUWQFGT-RSXGOPAZSA-N 1 1 404.598 5.424 50 0 HKAAMO Cc1ccc(C(=O)N2C[C@@H](C[N@H+](C)C3CCCCC3)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000034697821 557380724 /nfs/dbraw/zinc/38/07/24/557380724.db2.gz DKXILFKQUWQFGT-AOYPEHQESA-N 1 1 404.598 5.424 50 0 HKAAMO Cc1ccc(C(=O)N(C[C@@H]2C[N@H+](CC(C)C)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698703 557381056 /nfs/dbraw/zinc/38/10/56/557381056.db2.gz CRIVRBIAIWPBOR-UKILVPOCSA-N 1 1 410.577 5.356 50 0 HKAAMO Cc1ccc(C(=O)N(C[C@H]2C[N@H+](CC(C)C)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698704 557381049 /nfs/dbraw/zinc/38/10/49/557381049.db2.gz CRIVRBIAIWPBOR-ILBGXUMGSA-N 1 1 410.577 5.356 50 0 HKAAMO Cc1ccccc1[C@@H]1C[N@@H+](CC(C)C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698740 569000542 /nfs/dbraw/zinc/00/05/42/569000542.db2.gz IVARIUQLHPJFMW-RCZVLFRGSA-N 1 1 410.577 5.356 50 0 HKAAMO Cc1ccccc1[C@H]1C[N@@H+](CC(C)C)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698741 569000476 /nfs/dbraw/zinc/00/04/76/569000476.db2.gz IVARIUQLHPJFMW-RDGATRHJSA-N 1 1 410.577 5.356 50 0 HKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698806 571316420 /nfs/dbraw/zinc/31/64/20/571316420.db2.gz VBFKWXPKINHAET-ZEQKJWHPSA-N 1 1 415.581 5.090 50 0 HKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000034698807 571316383 /nfs/dbraw/zinc/31/63/83/571316383.db2.gz VBFKWXPKINHAET-BVAGGSTKSA-N 1 1 415.581 5.090 50 0 HKAAMO COc1ccc(NC(=O)[C@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034711230 557390484 /nfs/dbraw/zinc/39/04/84/557390484.db2.gz SDAAIBGKOZJNGG-RPWUZVMVSA-N 1 1 414.549 5.248 50 0 HKAAMO COc1ccc(NC(=O)[C@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034711231 557390335 /nfs/dbraw/zinc/39/03/35/557390335.db2.gz SDAAIBGKOZJNGG-ZEQRLZLVSA-N 1 1 414.549 5.248 50 0 HKAAMO COc1ccc(NC(=O)[C@@H]2C[C@@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034711232 557390550 /nfs/dbraw/zinc/39/05/50/557390550.db2.gz SDAAIBGKOZJNGG-DNQXCXABSA-N 1 1 414.549 5.248 50 0 HKAAMO COc1ccc(NC(=O)[C@@H]2C[C@H](c3cccc(C)c3)C[N@@H+](Cc3ccccc3)C2)cc1 ZINC000034711233 557390513 /nfs/dbraw/zinc/39/05/13/557390513.db2.gz SDAAIBGKOZJNGG-BJKOFHAPSA-N 1 1 414.549 5.248 50 0 HKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)N[C@@H](C)c3ccccc3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711234 557390820 /nfs/dbraw/zinc/39/08/20/557390820.db2.gz XCHJUJCJWWCKQH-FDJWOJMMSA-N 1 1 412.577 5.478 50 0 HKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000034711236 557390760 /nfs/dbraw/zinc/39/07/60/557390760.db2.gz XCHJUJCJWWCKQH-ZDJNHPEVSA-N 1 1 412.577 5.478 50 0 HKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)Nc3ccccc3)C[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711254 558783214 /nfs/dbraw/zinc/78/32/14/558783214.db2.gz PYQRRUDGNLTDAI-PKTZIBPZSA-N 1 1 402.513 5.379 50 0 HKAAMO Cc1cccc([C@H]2C[C@H](C(=O)Nc3ccccc3)C[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711255 558783311 /nfs/dbraw/zinc/78/33/11/558783311.db2.gz PYQRRUDGNLTDAI-GOTSBHOMSA-N 1 1 402.513 5.379 50 0 HKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)C[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711256 558783285 /nfs/dbraw/zinc/78/32/85/558783285.db2.gz PYQRRUDGNLTDAI-DHIUTWEWSA-N 1 1 402.513 5.379 50 0 HKAAMO Cc1cccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)C[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000034711257 558783264 /nfs/dbraw/zinc/78/32/64/558783264.db2.gz PYQRRUDGNLTDAI-XZOQPEGZSA-N 1 1 402.513 5.379 50 0 HKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711466 557390779 /nfs/dbraw/zinc/39/07/79/557390779.db2.gz ZCBSTHVXKPLXNN-RPBOFIJWSA-N 1 1 416.540 5.056 50 0 HKAAMO Cc1cccc([C@H]2C[C@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711467 557390801 /nfs/dbraw/zinc/39/08/01/557390801.db2.gz ZCBSTHVXKPLXNN-DQEYMECFSA-N 1 1 416.540 5.056 50 0 HKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711468 557390771 /nfs/dbraw/zinc/39/07/71/557390771.db2.gz ZCBSTHVXKPLXNN-JWQCQUIFSA-N 1 1 416.540 5.056 50 0 HKAAMO Cc1cccc([C@H]2C[C@@H](C(=O)NCc3cccc(F)c3)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711469 557390872 /nfs/dbraw/zinc/39/08/72/557390872.db2.gz ZCBSTHVXKPLXNN-LOSJGSFVSA-N 1 1 416.540 5.056 50 0 HKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)NCc3ccccc3F)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711470 557390877 /nfs/dbraw/zinc/39/08/77/557390877.db2.gz PDYKMZLHNFULLT-RPBOFIJWSA-N 1 1 416.540 5.056 50 0 HKAAMO Cc1cccc([C@H]2C[C@H](C(=O)NCc3ccccc3F)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711471 557390845 /nfs/dbraw/zinc/39/08/45/557390845.db2.gz PDYKMZLHNFULLT-DQEYMECFSA-N 1 1 416.540 5.056 50 0 HKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)NCc3ccccc3F)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711472 557390888 /nfs/dbraw/zinc/39/08/88/557390888.db2.gz PDYKMZLHNFULLT-JWQCQUIFSA-N 1 1 416.540 5.056 50 0 HKAAMO Cc1cccc([C@H]2C[C@@H](C(=O)NCc3ccccc3F)C[N@@H+](Cc3ccccc3)C2)c1 ZINC000034711473 557390867 /nfs/dbraw/zinc/39/08/67/557390867.db2.gz PDYKMZLHNFULLT-LOSJGSFVSA-N 1 1 416.540 5.056 50 0 HKAAMO CC[C@H](C)NC(=O)[C@@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000034716679 558783296 /nfs/dbraw/zinc/78/32/96/558783296.db2.gz SDXUVDJSRWGKQT-DZFGPLHGSA-N 1 1 416.968 5.308 50 0 HKAAMO CC[C@H](C)NC(=O)[C@H]1C[C@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000034716681 558783425 /nfs/dbraw/zinc/78/34/25/558783425.db2.gz SDXUVDJSRWGKQT-YYWHXJBOSA-N 1 1 416.968 5.308 50 0 HKAAMO O=C(C[NH+]1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 ZINC000034718939 569048003 /nfs/dbraw/zinc/04/80/03/569048003.db2.gz IFAGTGSSDRZZGP-AOSIDENFSA-N 1 1 413.565 5.296 50 0 HKAAMO COc1cccc([C@@H]2CN(Cc3sccc3C)C[C@@H]2C[N@H+](C)C2CCCCC2)c1 ZINC000034723439 557425995 /nfs/dbraw/zinc/42/59/95/557425995.db2.gz GEQFSXMTBULMBA-URXFXBBRSA-N 1 1 412.643 5.545 50 0 HKAAMO COc1cccc([C@@H]2CN(Cc3sccc3C)C[C@@H]2C[N@@H+](C)C2CCCCC2)c1 ZINC000034723439 557425997 /nfs/dbraw/zinc/42/59/97/557425997.db2.gz GEQFSXMTBULMBA-URXFXBBRSA-N 1 1 412.643 5.545 50 0 HKAAMO COc1cccc([C@@H]2CN(Cc3sccc3C)C[C@H]2C[N@H+](C)C2CCCCC2)c1 ZINC000034723441 557425959 /nfs/dbraw/zinc/42/59/59/557425959.db2.gz GEQFSXMTBULMBA-QPPBQGQZSA-N 1 1 412.643 5.545 50 0 HKAAMO COc1cccc([C@@H]2CN(Cc3sccc3C)C[C@H]2C[N@@H+](C)C2CCCCC2)c1 ZINC000034723441 557425960 /nfs/dbraw/zinc/42/59/60/557425960.db2.gz GEQFSXMTBULMBA-QPPBQGQZSA-N 1 1 412.643 5.545 50 0 HKAAMO O=C(NCc1ccccc1)[C@@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739886 571316584 /nfs/dbraw/zinc/31/65/84/571316584.db2.gz GIAOIYZPSRAQEV-ILBGXUMGSA-N 1 1 418.968 5.610 50 0 HKAAMO O=C(NCc1ccccc1)[C@H]1CC[C@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739887 571316566 /nfs/dbraw/zinc/31/65/66/571316566.db2.gz GIAOIYZPSRAQEV-UKILVPOCSA-N 1 1 418.968 5.610 50 0 HKAAMO O=C(NCc1ccccc1)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739888 571316537 /nfs/dbraw/zinc/31/65/37/571316537.db2.gz GIAOIYZPSRAQEV-NOZRDPDXSA-N 1 1 418.968 5.610 50 0 HKAAMO O=C(NCc1ccccc1)[C@H]1CC[C@@H](c2ccccc2)[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000034739889 571316541 /nfs/dbraw/zinc/31/65/41/571316541.db2.gz GIAOIYZPSRAQEV-ZCYQVOJMSA-N 1 1 418.968 5.610 50 0 HKAAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034740674 557444011 /nfs/dbraw/zinc/44/40/11/557444011.db2.gz WFRIRJWMWLELPG-JYFHCDHNSA-N 1 1 421.629 5.058 50 0 HKAAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000034740675 557444138 /nfs/dbraw/zinc/44/41/38/557444138.db2.gz WFRIRJWMWLELPG-ZEQKJWHPSA-N 1 1 421.629 5.058 50 0 HKAAMO Cc1cccc(C[N@H+]2C[C@@H](c3ccc(F)cc3)[C@@H](CN(CC(C)C)C(=O)C(C)C)C2)c1 ZINC000034740700 557444494 /nfs/dbraw/zinc/44/44/94/557444494.db2.gz FPIMFSDWJNQFPX-RSXGOPAZSA-N 1 1 424.604 5.490 50 0 HKAAMO Cc1cccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3ccc(F)cc3)C2)c1 ZINC000034740701 557444402 /nfs/dbraw/zinc/44/44/02/557444402.db2.gz FPIMFSDWJNQFPX-AHWVRZQESA-N 1 1 424.604 5.490 50 0 HKAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740732 557444382 /nfs/dbraw/zinc/44/43/82/557444382.db2.gz JSYTXLVNJYCVFL-IAPPQJPRSA-N 1 1 418.625 5.700 50 0 HKAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740733 557444489 /nfs/dbraw/zinc/44/44/89/557444489.db2.gz JSYTXLVNJYCVFL-XCZPVHLTSA-N 1 1 418.625 5.700 50 0 HKAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740742 557444450 /nfs/dbraw/zinc/44/44/50/557444450.db2.gz ARIVBRWTBFOYTK-RDGATRHJSA-N 1 1 410.627 5.453 50 0 HKAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740743 557444501 /nfs/dbraw/zinc/44/45/01/557444501.db2.gz ARIVBRWTBFOYTK-RCZVLFRGSA-N 1 1 410.627 5.453 50 0 HKAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740744 557444497 /nfs/dbraw/zinc/44/44/97/557444497.db2.gz MPLTXDWSYRTIGS-NOZRDPDXSA-N 1 1 424.654 5.762 50 0 HKAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000034740745 557444443 /nfs/dbraw/zinc/44/44/43/557444443.db2.gz MPLTXDWSYRTIGS-ILBGXUMGSA-N 1 1 424.654 5.762 50 0 HKAAMO Cc1ccsc1C[N@H+]1C[C@@H](c2cccc(F)c2)[C@@H](CN(C(=O)C(C)C)C(C)C)C1 ZINC000034740819 557444478 /nfs/dbraw/zinc/44/44/78/557444478.db2.gz FJUYEKXVHUDJIX-IRLDBZIGSA-N 1 1 416.606 5.304 50 0 HKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@H](c2cccc(F)c2)C1 ZINC000034740820 557444481 /nfs/dbraw/zinc/44/44/81/557444481.db2.gz FJUYEKXVHUDJIX-UNMCSNQZSA-N 1 1 416.606 5.304 50 0 HKAAMO Cc1ccc(Oc2nc(N(C)Cc3ccccc3)nc3c2C[N@@H+](CC(C)C)CC3)cc1 ZINC000034755690 557458476 /nfs/dbraw/zinc/45/84/76/557458476.db2.gz HUWUGPUBTNWUBL-UHFFFAOYSA-N 1 1 416.569 5.228 50 0 HKAAMO COc1ccc2c(c1)c(C(=O)C[N@@H+]1CCc3ccccc3C1)c(C)n2Cc1ccccc1 ZINC000034847985 558784811 /nfs/dbraw/zinc/78/48/11/558784811.db2.gz ZEARLYMEIRQJCX-UHFFFAOYSA-N 1 1 424.544 5.248 50 0 HKAAMO COc1ccc2c(c1)c(C(=O)C[N@H+]1CCc3ccccc3C1)c(C)n2Cc1ccccc1 ZINC000034847985 558784814 /nfs/dbraw/zinc/78/48/14/558784814.db2.gz ZEARLYMEIRQJCX-UHFFFAOYSA-N 1 1 424.544 5.248 50 0 HKAAMO CC[C@@H](C)[C@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000034856751 558785315 /nfs/dbraw/zinc/78/53/15/558785315.db2.gz XGBOXQUTPFMYLI-GJZUVCINSA-N 1 1 423.560 5.520 50 0 HKAAMO CC[C@@H](C)[C@@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000034856752 557477630 /nfs/dbraw/zinc/47/76/30/557477630.db2.gz XGBOXQUTPFMYLI-ATIYNZHBSA-N 1 1 423.560 5.520 50 0 HKAAMO CC[C@H](C)[C@@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000034856753 557477598 /nfs/dbraw/zinc/47/75/98/557477598.db2.gz XGBOXQUTPFMYLI-BKMJKUGQSA-N 1 1 423.560 5.520 50 0 HKAAMO Fc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccsc1)O2 ZINC000034868045 557478568 /nfs/dbraw/zinc/47/85/68/557478568.db2.gz XPUAMBZGQNYXQP-MAUKXSAKSA-N 1 1 401.425 5.269 50 0 HKAAMO Fc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@@H](c1ccsc1)O2 ZINC000034868045 557478571 /nfs/dbraw/zinc/47/85/71/557478571.db2.gz XPUAMBZGQNYXQP-MAUKXSAKSA-N 1 1 401.425 5.269 50 0 HKAAMO Fc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccsc1)O2 ZINC000034868047 557478543 /nfs/dbraw/zinc/47/85/43/557478543.db2.gz XPUAMBZGQNYXQP-YJBOKZPZSA-N 1 1 401.425 5.269 50 0 HKAAMO Fc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c2c(c1)CO[C@H](c1ccsc1)O2 ZINC000034868047 557478547 /nfs/dbraw/zinc/47/85/47/557478547.db2.gz XPUAMBZGQNYXQP-YJBOKZPZSA-N 1 1 401.425 5.269 50 0 HKAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000034896522 558787092 /nfs/dbraw/zinc/78/70/92/558787092.db2.gz FKCDPOLRFRSRCW-RDJZCZTQSA-N 1 1 413.974 5.007 50 0 HKAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000034896522 558787095 /nfs/dbraw/zinc/78/70/95/558787095.db2.gz FKCDPOLRFRSRCW-RDJZCZTQSA-N 1 1 413.974 5.007 50 0 HKAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000034896523 558787105 /nfs/dbraw/zinc/78/71/05/558787105.db2.gz FKCDPOLRFRSRCW-WBVHZDCISA-N 1 1 413.974 5.007 50 0 HKAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 ZINC000034896523 558787107 /nfs/dbraw/zinc/78/71/07/558787107.db2.gz FKCDPOLRFRSRCW-WBVHZDCISA-N 1 1 413.974 5.007 50 0 HKAAMO COc1ccccc1-c1cccc(-c2nc(C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)cs2)c1 ZINC000034899326 557481008 /nfs/dbraw/zinc/48/10/08/557481008.db2.gz BUVNTGRMEQPGFW-SIKLNZKXSA-N 1 1 418.606 6.498 50 0 HKAAMO O=C(Cc1cccc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034903429 558787410 /nfs/dbraw/zinc/78/74/10/558787410.db2.gz RHEBHYVLULXPEH-UHFFFAOYSA-N 1 1 420.556 5.316 50 0 HKAAMO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035326254 569032860 /nfs/dbraw/zinc/03/28/60/569032860.db2.gz GMZGSFXWGBIZMI-HOCLYGCPSA-N 1 1 408.502 5.426 50 0 HKAAMO C[C@H](c1nnc(-c2ccc(F)cc2)o1)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000035326260 569032854 /nfs/dbraw/zinc/03/28/54/569032854.db2.gz GMZGSFXWGBIZMI-ZBFHGGJFSA-N 1 1 408.502 5.426 50 0 HKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@@H+](C)CC4)c1C ZINC000035426936 569036577 /nfs/dbraw/zinc/03/65/77/569036577.db2.gz UZRGZHJDTMKHGZ-KRWDZBQOSA-N 1 1 420.582 5.252 50 0 HKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2C)C[N@H+](C)CC4)c1C ZINC000035426936 569036578 /nfs/dbraw/zinc/03/65/78/569036578.db2.gz UZRGZHJDTMKHGZ-KRWDZBQOSA-N 1 1 420.582 5.252 50 0 HKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@@H+](C)CC4)c1C ZINC000035426938 569036601 /nfs/dbraw/zinc/03/66/01/569036601.db2.gz UZRGZHJDTMKHGZ-QGZVFWFLSA-N 1 1 420.582 5.252 50 0 HKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2C)C[N@H+](C)CC4)c1C ZINC000035426938 569036602 /nfs/dbraw/zinc/03/66/02/569036602.db2.gz UZRGZHJDTMKHGZ-QGZVFWFLSA-N 1 1 420.582 5.252 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476830 558792478 /nfs/dbraw/zinc/79/24/78/558792478.db2.gz SLRVOFYDLXBIDT-QHCPKHFHSA-N 1 1 413.546 6.214 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476831 558792527 /nfs/dbraw/zinc/79/25/27/558792527.db2.gz SLRVOFYDLXBIDT-HSZRJFAPSA-N 1 1 413.546 6.214 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476832 558792392 /nfs/dbraw/zinc/79/23/92/558792392.db2.gz UJCAKTUEKJJURJ-QHCPKHFHSA-N 1 1 413.546 6.214 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccc2)c(NC(=O)c2ccccc2)s1 ZINC000035476833 558792467 /nfs/dbraw/zinc/79/24/67/558792467.db2.gz UJCAKTUEKJJURJ-HSZRJFAPSA-N 1 1 413.546 6.214 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476850 558792448 /nfs/dbraw/zinc/79/24/48/558792448.db2.gz GFWWQVGPZIRXSS-JOCHJYFZSA-N 1 1 414.534 5.609 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c(NC(=O)c2ccccc2)s1 ZINC000035476851 558792434 /nfs/dbraw/zinc/79/24/34/558792434.db2.gz GFWWQVGPZIRXSS-QFIPXVFZSA-N 1 1 414.534 5.609 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476854 558792445 /nfs/dbraw/zinc/79/24/45/558792445.db2.gz LBJNQSHSAOFOKE-QFIPXVFZSA-N 1 1 414.534 5.609 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476855 558792499 /nfs/dbraw/zinc/79/24/99/558792499.db2.gz LBJNQSHSAOFOKE-JOCHJYFZSA-N 1 1 414.534 5.609 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476856 558792510 /nfs/dbraw/zinc/79/25/10/558792510.db2.gz YATZYYCLMKHLFQ-QFIPXVFZSA-N 1 1 414.534 5.609 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccnc2)c(NC(=O)c2ccccc2)s1 ZINC000035476857 558792427 /nfs/dbraw/zinc/79/24/27/558792427.db2.gz YATZYYCLMKHLFQ-JOCHJYFZSA-N 1 1 414.534 5.609 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476862 558792491 /nfs/dbraw/zinc/79/24/91/558792491.db2.gz MKHLAPPZIGMWCD-NRFANRHFSA-N 1 1 419.575 6.275 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476863 558792460 /nfs/dbraw/zinc/79/24/60/558792460.db2.gz MKHLAPPZIGMWCD-OAQYLSRUSA-N 1 1 419.575 6.275 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476864 558792398 /nfs/dbraw/zinc/79/23/98/558792398.db2.gz KSTSSBSJSNKUDR-NRFANRHFSA-N 1 1 419.575 6.275 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccsc2)c(NC(=O)c2ccccc2)s1 ZINC000035476865 558792453 /nfs/dbraw/zinc/79/24/53/558792453.db2.gz KSTSSBSJSNKUDR-OAQYLSRUSA-N 1 1 419.575 6.275 50 0 HKAAMO C[N@@H+](CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1)C1CCCCC1 ZINC000035503292 571316922 /nfs/dbraw/zinc/31/69/22/571316922.db2.gz MVLDNVKDDCEGLX-UHFFFAOYSA-N 1 1 424.520 5.095 50 0 HKAAMO CCCCc1nn2c(nc(C[N@@H+](CCC)Cc3ccc(C(C)C)cc3)cc2=O)s1 ZINC000035509826 569041789 /nfs/dbraw/zinc/04/17/89/569041789.db2.gz QCOWRGINRCXDGI-UHFFFAOYSA-N 1 1 412.603 5.029 50 0 HKAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511271 558793102 /nfs/dbraw/zinc/79/31/02/558793102.db2.gz IKHYUIDPXUGYSD-SFHVURJKSA-N 1 1 415.335 5.288 50 0 HKAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2c[nH]nc2-c2cccc(Br)c2)on1 ZINC000035511272 558793141 /nfs/dbraw/zinc/79/31/41/558793141.db2.gz IKHYUIDPXUGYSD-GOSISDBHSA-N 1 1 415.335 5.288 50 0 HKAAMO O=C(Nc1ccccc1)Nc1ccc2[nH+]c(-c3ccccc3)cc(N3CCOCC3)c2c1 ZINC000035527892 569043959 /nfs/dbraw/zinc/04/39/59/569043959.db2.gz FHWDZAXTCPNJMK-UHFFFAOYSA-N 1 1 424.504 5.382 50 0 HKAAMO CCCCCCNC(=O)c1ccc(C[N@H+](Cc2ccccc2)Cc2ccc(C)cc2)o1 ZINC000035708156 569052728 /nfs/dbraw/zinc/05/27/28/569052728.db2.gz KYHXRFHNGGKISJ-UHFFFAOYSA-N 1 1 418.581 6.101 50 0 HKAAMO CCCCCCNC(=O)c1ccc(C[N@@H+](Cc2ccccc2)Cc2ccc(C)cc2)o1 ZINC000035708156 569052729 /nfs/dbraw/zinc/05/27/29/569052729.db2.gz KYHXRFHNGGKISJ-UHFFFAOYSA-N 1 1 418.581 6.101 50 0 HKAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](CC)CC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035802458 569060487 /nfs/dbraw/zinc/06/04/87/569060487.db2.gz TXSYEVIZDHUWNF-QFIPXVFZSA-N 1 1 423.988 5.070 50 0 HKAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](CC)CC3)c3ccc(Cl)cc3)c[nH]c21 ZINC000035802460 569060476 /nfs/dbraw/zinc/06/04/76/569060476.db2.gz TXSYEVIZDHUWNF-JOCHJYFZSA-N 1 1 423.988 5.070 50 0 HKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000035840621 569062302 /nfs/dbraw/zinc/06/23/02/569062302.db2.gz AEUHDFZCSNDVAS-RUZDIDTESA-N 1 1 408.561 5.127 50 0 HKAAMO CC(C)CC[N@H+](Cc1cccn1Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000035840623 569062275 /nfs/dbraw/zinc/06/22/75/569062275.db2.gz AEUHDFZCSNDVAS-VWLOTQADSA-N 1 1 408.561 5.127 50 0 HKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](CCC(C)C)C[C@H](O)COc1ccccc1 ZINC000035840763 569062291 /nfs/dbraw/zinc/06/22/91/569062291.db2.gz SDGMQASAIFLLKD-SANMLTNESA-N 1 1 420.597 5.133 50 0 HKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](CCC(C)C)C[C@@H](O)COc1ccccc1 ZINC000035840765 569062326 /nfs/dbraw/zinc/06/23/26/569062326.db2.gz SDGMQASAIFLLKD-AREMUKBSSA-N 1 1 420.597 5.133 50 0 HKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](CCC(C)C)C[C@H](O)Cc1ccccc1 ZINC000035840771 569062337 /nfs/dbraw/zinc/06/23/37/569062337.db2.gz DEKKIIFJFXPDDR-HHHXNRCGSA-N 1 1 404.598 5.297 50 0 HKAAMO Cc1ccccc1Cn1cccc1C[N@@H+](CCC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000035840773 569062322 /nfs/dbraw/zinc/06/23/22/569062322.db2.gz DEKKIIFJFXPDDR-MHZLTWQESA-N 1 1 404.598 5.297 50 0 HKAAMO COC(=O)c1ccccc1C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000035840974 569062317 /nfs/dbraw/zinc/06/23/17/569062317.db2.gz WFEUGWPSCWPWQT-UHFFFAOYSA-N 1 1 404.554 5.371 50 0 HKAAMO COc1cccc(C[N@H+](Cc2cccn2Cc2ccccc2)CC2CCCCC2)c1 ZINC000035840982 569062388 /nfs/dbraw/zinc/06/23/88/569062388.db2.gz NHZUQDUOISDZGE-UHFFFAOYSA-N 1 1 402.582 6.128 50 0 HKAAMO COc1cccc(C[N@@H+](Cc2cccn2Cc2ccc(F)cc2)C2CCCCC2)c1 ZINC000035840994 569062305 /nfs/dbraw/zinc/06/23/05/569062305.db2.gz DJIASDNFAKBLAK-UHFFFAOYSA-N 1 1 406.545 6.019 50 0 HKAAMO Cc1ccccc1C[N@H+](Cc1cccn1Cc1ccccc1F)CC1CCCCC1 ZINC000035841059 569062294 /nfs/dbraw/zinc/06/22/94/569062294.db2.gz AIPRYVNBKFECMV-UHFFFAOYSA-N 1 1 404.573 6.566 50 0 HKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000035841064 569062354 /nfs/dbraw/zinc/06/23/54/569062354.db2.gz UHDCBBKXSQPSRE-HXUWFJFHSA-N 1 1 414.515 6.602 50 0 HKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(C(F)(F)F)cc1)Cc1ccccc1 ZINC000035841066 569062314 /nfs/dbraw/zinc/06/23/14/569062314.db2.gz UHDCBBKXSQPSRE-FQEVSTJZSA-N 1 1 414.515 6.602 50 0 HKAAMO COc1cccc(C[N@H+](Cc2cccn2Cc2ccc(C)cc2)CC2CCCCC2)c1 ZINC000035841083 569062311 /nfs/dbraw/zinc/06/23/11/569062311.db2.gz XSSODQAYNCPTKI-UHFFFAOYSA-N 1 1 416.609 6.436 50 0 HKAAMO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2C)CC2CCCCC2)c1 ZINC000035841091 569062279 /nfs/dbraw/zinc/06/22/79/569062279.db2.gz ICLMPQXTBWNQNC-UHFFFAOYSA-N 1 1 400.610 6.736 50 0 HKAAMO COc1cccc(C[N@@H+](Cc2cccn2Cc2ccccc2C)C2CCCCC2)c1 ZINC000035841098 569062381 /nfs/dbraw/zinc/06/23/81/569062381.db2.gz RQRRHVSFGFEIJS-UHFFFAOYSA-N 1 1 402.582 6.188 50 0 HKAAMO COc1cccc(C[N@H+](Cc2cccn2Cc2ccccc2C)CC2CCCCC2)c1 ZINC000035841114 569062375 /nfs/dbraw/zinc/06/23/75/569062375.db2.gz IMOGNNZIYNXLED-UHFFFAOYSA-N 1 1 416.609 6.436 50 0 HKAAMO COc1cccc(Cn2cccc2C[N@@H+](CCC(C)C)Cc2cccc(OC)c2)c1 ZINC000035841125 569062369 /nfs/dbraw/zinc/06/23/69/569062369.db2.gz SEOIIIGBJXGGFB-UHFFFAOYSA-N 1 1 406.570 5.602 50 0 HKAAMO COc1cccc(Cn2cccc2C[N@H+](Cc2ccc(C)cc2)CC2CCCCC2)c1 ZINC000035841142 569062360 /nfs/dbraw/zinc/06/23/60/569062360.db2.gz BXOZRCBTLHSUIZ-UHFFFAOYSA-N 1 1 416.609 6.436 50 0 HKAAMO COc1cccc(Cn2cccc2C[N@H+](Cc2cccc(F)c2)CC2CCCCC2)c1 ZINC000035841146 569062350 /nfs/dbraw/zinc/06/23/50/569062350.db2.gz IMWTUUSOSYTPDD-UHFFFAOYSA-N 1 1 420.572 6.267 50 0 HKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1cccc(F)c1 ZINC000035841151 569062308 /nfs/dbraw/zinc/06/23/08/569062308.db2.gz CFUBUECJKPOQCS-UHFFFAOYSA-N 1 1 418.478 6.353 50 0 HKAAMO COCC[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccc(C)cc1 ZINC000035841186 569062372 /nfs/dbraw/zinc/06/23/72/569062372.db2.gz SPZFOFXRGXHFKG-UHFFFAOYSA-N 1 1 416.487 5.512 50 0 HKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1 ZINC000035841194 569062385 /nfs/dbraw/zinc/06/23/85/569062385.db2.gz GOAQRKGSOONANL-UHFFFAOYSA-N 1 1 414.515 6.604 50 0 HKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccccc1C ZINC000035843609 569062402 /nfs/dbraw/zinc/06/24/02/569062402.db2.gz VLHXEZBLIWEBAL-HSZRJFAPSA-N 1 1 400.563 5.010 50 0 HKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccccc1C ZINC000035843610 569062484 /nfs/dbraw/zinc/06/24/84/569062484.db2.gz VLHXEZBLIWEBAL-QHCPKHFHSA-N 1 1 400.563 5.010 50 0 HKAAMO CC(C)[N@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843643 569062415 /nfs/dbraw/zinc/06/24/15/569062415.db2.gz VCMQCXWZPSUWPJ-OAQYLSRUSA-N 1 1 424.944 5.103 50 0 HKAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843643 569062416 /nfs/dbraw/zinc/06/24/16/569062416.db2.gz VCMQCXWZPSUWPJ-OAQYLSRUSA-N 1 1 424.944 5.103 50 0 HKAAMO CC(C)[N@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843644 569062477 /nfs/dbraw/zinc/06/24/77/569062477.db2.gz VCMQCXWZPSUWPJ-NRFANRHFSA-N 1 1 424.944 5.103 50 0 HKAAMO CC(C)[N@@H+](CC(=O)N1CCS[C@H]1c1ccccc1Cl)Cc1cc(F)cc(F)c1 ZINC000035843644 569062478 /nfs/dbraw/zinc/06/24/78/569062478.db2.gz VCMQCXWZPSUWPJ-NRFANRHFSA-N 1 1 424.944 5.103 50 0 HKAAMO Cc1ccc(C)c(C[N@H+](CC(=O)N2CCS[C@@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843702 569062441 /nfs/dbraw/zinc/06/24/41/569062441.db2.gz QNGVOPFZLVEAFI-XMMPIXPASA-N 1 1 414.590 5.175 50 0 HKAAMO Cc1ccc(C)c(C[N@H+](CC(=O)N2CCS[C@H]2c2ccc(F)cc2)CC(C)C)c1 ZINC000035843703 569062438 /nfs/dbraw/zinc/06/24/38/569062438.db2.gz QNGVOPFZLVEAFI-DEOSSOPVSA-N 1 1 414.590 5.175 50 0 HKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000035843708 569062452 /nfs/dbraw/zinc/06/24/52/569062452.db2.gz OKVHMRDWNGGPKH-XMMPIXPASA-N 1 1 414.590 5.319 50 0 HKAAMO CCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1cc(C)ccc1C ZINC000035843709 569062396 /nfs/dbraw/zinc/06/23/96/569062396.db2.gz OKVHMRDWNGGPKH-DEOSSOPVSA-N 1 1 414.590 5.319 50 0 HKAAMO Fc1ccc(Cn2cccc2C[N@@H+](Cc2cccc(Cl)c2)C2CCCCC2)cc1 ZINC000035843734 569062449 /nfs/dbraw/zinc/06/24/49/569062449.db2.gz XXQOCBSLHARCGR-UHFFFAOYSA-N 1 1 410.964 6.664 50 0 HKAAMO COCCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(Cl)c1 ZINC000035843741 569062495 /nfs/dbraw/zinc/06/24/95/569062495.db2.gz WZDOUMAQJCYZAB-UHFFFAOYSA-N 1 1 400.925 5.368 50 0 HKAAMO COCCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843742 569062473 /nfs/dbraw/zinc/06/24/73/569062473.db2.gz RSTBKSFLKIAVKN-UHFFFAOYSA-N 1 1 422.588 6.012 50 0 HKAAMO CC(C)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843755 569062488 /nfs/dbraw/zinc/06/24/88/569062488.db2.gz VQAMRHQOXYWQNT-UHFFFAOYSA-N 1 1 418.478 6.353 50 0 HKAAMO COCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(C(C)(C)C)cc1 ZINC000035843758 569062455 /nfs/dbraw/zinc/06/24/55/569062455.db2.gz QCOGWCCIBHQWHV-UHFFFAOYSA-N 1 1 408.561 5.622 50 0 HKAAMO COCC[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1cccc(C(F)(F)F)c1 ZINC000035843759 569062434 /nfs/dbraw/zinc/06/24/34/569062434.db2.gz NHBPSLKMEWZUGY-UHFFFAOYSA-N 1 1 420.450 5.343 50 0 HKAAMO CC(C)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000035843771 569062467 /nfs/dbraw/zinc/06/24/67/569062467.db2.gz RVQJEXUGQJGCBM-GOSISDBHSA-N 1 1 400.488 6.000 50 0 HKAAMO CC(C)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)Cc1ccc(F)c(F)c1 ZINC000035843772 569062480 /nfs/dbraw/zinc/06/24/80/569062480.db2.gz RVQJEXUGQJGCBM-SFHVURJKSA-N 1 1 400.488 6.000 50 0 HKAAMO COC(=O)c1ccc(C[N@@H+](Cc2cccn2Cc2ccc(F)cc2)[C@H](C)C(C)C)cc1 ZINC000035843775 569062546 /nfs/dbraw/zinc/06/25/46/569062546.db2.gz RGIYNLNTFNCNBX-HXUWFJFHSA-N 1 1 422.544 5.509 50 0 HKAAMO COC(=O)c1ccc(C[N@@H+](Cc2cccn2Cc2ccc(F)cc2)[C@@H](C)C(C)C)cc1 ZINC000035843776 569062513 /nfs/dbraw/zinc/06/25/13/569062513.db2.gz RGIYNLNTFNCNBX-FQEVSTJZSA-N 1 1 422.544 5.509 50 0 HKAAMO CCOC(=O)[C@@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035843777 569062559 /nfs/dbraw/zinc/06/25/59/569062559.db2.gz KAKWBBGPJDMKCD-LJQANCHMSA-N 1 1 400.538 5.009 50 0 HKAAMO CCOC(=O)[C@@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035843777 569062560 /nfs/dbraw/zinc/06/25/60/569062560.db2.gz KAKWBBGPJDMKCD-LJQANCHMSA-N 1 1 400.538 5.009 50 0 HKAAMO CCOC(=O)[C@H](C)[N@@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035843778 569062550 /nfs/dbraw/zinc/06/25/50/569062550.db2.gz KAKWBBGPJDMKCD-IBGZPJMESA-N 1 1 400.538 5.009 50 0 HKAAMO CCOC(=O)[C@H](C)[N@H+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1 ZINC000035843778 569062551 /nfs/dbraw/zinc/06/25/51/569062551.db2.gz KAKWBBGPJDMKCD-IBGZPJMESA-N 1 1 400.538 5.009 50 0 HKAAMO Fc1ccc(Cn2cccc2C[N@H+](Cc2ccccc2Cl)CC2CCCCC2)cc1 ZINC000035843781 569062517 /nfs/dbraw/zinc/06/25/17/569062517.db2.gz BJWXAOYNTCOXQJ-UHFFFAOYSA-N 1 1 424.991 6.911 50 0 HKAAMO CCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccccc1 ZINC000035844744 569062500 /nfs/dbraw/zinc/06/25/00/569062500.db2.gz MNYZGJHBRPDNLV-UHFFFAOYSA-N 1 1 418.581 5.462 50 0 HKAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000035855225 132803023 /nfs/dbraw/zinc/80/30/23/132803023.db2.gz ZHAUTMCDLJOGNX-AREMUKBSSA-N 1 1 409.533 5.223 50 0 HKAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2)CC1 ZINC000035855228 558795400 /nfs/dbraw/zinc/79/54/00/558795400.db2.gz ZHAUTMCDLJOGNX-SANMLTNESA-N 1 1 409.533 5.223 50 0 HKAAMO CCn1cc([C@@H](CC(=O)N2CC[NH+](CC)CC2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872365 569064184 /nfs/dbraw/zinc/06/41/84/569064184.db2.gz JRBVRDSKYCBFRJ-QFIPXVFZSA-N 1 1 423.988 5.001 50 0 HKAAMO CCn1cc([C@H](CC(=O)N2CC[NH+](CC)CC2)c2cccc(Cl)c2)c2ccccc21 ZINC000035872366 569064177 /nfs/dbraw/zinc/06/41/77/569064177.db2.gz JRBVRDSKYCBFRJ-JOCHJYFZSA-N 1 1 423.988 5.001 50 0 HKAAMO CC(C)c1nc2sc3c(c2c(N2CC[NH+](Cc4ccc(F)cc4)CC2)n1)CCCC3 ZINC000035892728 569065065 /nfs/dbraw/zinc/06/50/65/569065065.db2.gz KQTXPTZZMQPLLW-UHFFFAOYSA-N 1 1 424.589 5.155 50 0 HKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)s1 ZINC000036031448 569081006 /nfs/dbraw/zinc/08/10/06/569081006.db2.gz VTGLODBTTAMTCN-FQEVSTJZSA-N 1 1 419.949 5.291 50 0 HKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)s1 ZINC000036031450 569081023 /nfs/dbraw/zinc/08/10/23/569081023.db2.gz VTGLODBTTAMTCN-HXUWFJFHSA-N 1 1 419.949 5.291 50 0 HKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036031457 569081076 /nfs/dbraw/zinc/08/10/76/569081076.db2.gz ZMCMNITUQGBQPW-QHCPKHFHSA-N 1 1 413.920 5.230 50 0 HKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000036031459 569081112 /nfs/dbraw/zinc/08/11/12/569081112.db2.gz ZMCMNITUQGBQPW-HSZRJFAPSA-N 1 1 413.920 5.230 50 0 HKAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COc2ccccc2C)c1 ZINC000036031959 569081172 /nfs/dbraw/zinc/08/11/72/569081172.db2.gz YFYYGRAITBGETG-VWLOTQADSA-N 1 1 407.529 5.193 50 0 HKAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COc2ccccc2C)c1 ZINC000036031962 569081136 /nfs/dbraw/zinc/08/11/36/569081136.db2.gz YFYYGRAITBGETG-RUZDIDTESA-N 1 1 407.529 5.193 50 0 HKAAMO O=C(NCc1cccc(F)c1)c1ccccc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036056945 569084543 /nfs/dbraw/zinc/08/45/43/569084543.db2.gz LPNFTHYQNAWEIM-SIKLNZKXSA-N 1 1 412.574 5.112 50 0 HKAAMO O=C(NCc1cccc(F)c1)c1ccccc1SC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036056946 569084533 /nfs/dbraw/zinc/08/45/33/569084533.db2.gz LPNFTHYQNAWEIM-DENIHFKCSA-N 1 1 412.574 5.112 50 0 HKAAMO Cc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1C ZINC000036056947 569084557 /nfs/dbraw/zinc/08/45/57/569084557.db2.gz USTZOLMUDCRMRV-NZQKXSOJSA-N 1 1 408.611 5.912 50 0 HKAAMO Cc1cccc(NC(=O)c2ccccc2SC[C@H]2CCC[N@H+]3CCCC[C@H]23)c1C ZINC000036056948 569084525 /nfs/dbraw/zinc/08/45/25/569084525.db2.gz USTZOLMUDCRMRV-NFBKMPQASA-N 1 1 408.611 5.912 50 0 HKAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063922 569085555 /nfs/dbraw/zinc/08/55/55/569085555.db2.gz LWBHRFZDGPLEOV-IBGZPJMESA-N 1 1 423.532 5.099 50 0 HKAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063922 569085556 /nfs/dbraw/zinc/08/55/56/569085556.db2.gz LWBHRFZDGPLEOV-IBGZPJMESA-N 1 1 423.532 5.099 50 0 HKAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)cc1 ZINC000036063923 569085589 /nfs/dbraw/zinc/08/55/89/569085589.db2.gz LWBHRFZDGPLEOV-LJQANCHMSA-N 1 1 423.532 5.099 50 0 HKAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCc3ccc(F)cc3)co2)[C@H](C)C(C)C)cc1 ZINC000036063923 569085590 /nfs/dbraw/zinc/08/55/90/569085590.db2.gz LWBHRFZDGPLEOV-LJQANCHMSA-N 1 1 423.532 5.099 50 0 HKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COCc2ccccc2)c(C)c1 ZINC000036098982 569090976 /nfs/dbraw/zinc/09/09/76/569090976.db2.gz ZUXPGQHKENTAET-SANMLTNESA-N 1 1 407.529 5.022 50 0 HKAAMO Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)c(C)c1 ZINC000036098984 569091023 /nfs/dbraw/zinc/09/10/23/569091023.db2.gz ZUXPGQHKENTAET-AREMUKBSSA-N 1 1 407.529 5.022 50 0 HKAAMO O[C@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102667 569092225 /nfs/dbraw/zinc/09/22/25/569092225.db2.gz OQCWTBQTZAIFEB-NRFANRHFSA-N 1 1 417.883 5.060 50 0 HKAAMO O[C@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102667 569092226 /nfs/dbraw/zinc/09/22/26/569092226.db2.gz OQCWTBQTZAIFEB-NRFANRHFSA-N 1 1 417.883 5.060 50 0 HKAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102669 569092219 /nfs/dbraw/zinc/09/22/19/569092219.db2.gz OQCWTBQTZAIFEB-OAQYLSRUSA-N 1 1 417.883 5.060 50 0 HKAAMO O[C@@H](COc1ccc(Cl)cc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1F ZINC000036102669 569092220 /nfs/dbraw/zinc/09/22/20/569092220.db2.gz OQCWTBQTZAIFEB-OAQYLSRUSA-N 1 1 417.883 5.060 50 0 HKAAMO O[C@@H](C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000036145882 558797968 /nfs/dbraw/zinc/79/79/68/558797968.db2.gz 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Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)C2CC2)o1 ZINC000036202604 569109672 /nfs/dbraw/zinc/10/96/72/569109672.db2.gz DICSWJIVQANYRZ-UHFFFAOYSA-N 1 1 413.517 5.630 50 0 HKAAMO CCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1 ZINC000036202666 569109701 /nfs/dbraw/zinc/10/97/01/569109701.db2.gz GGEPJBYALRYQIL-UHFFFAOYSA-N 1 1 415.533 5.877 50 0 HKAAMO CCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1 ZINC000036202666 569109703 /nfs/dbraw/zinc/10/97/03/569109703.db2.gz GGEPJBYALRYQIL-UHFFFAOYSA-N 1 1 415.533 5.877 50 0 HKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)C2CC2)cc1 ZINC000036202804 569109434 /nfs/dbraw/zinc/10/94/34/569109434.db2.gz YGUXYOSFTZBJJW-UHFFFAOYSA-N 1 1 423.556 6.037 50 0 HKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000036203021 569109476 /nfs/dbraw/zinc/10/94/76/569109476.db2.gz DPSJQDGJPGQDIH-NRFANRHFSA-N 1 1 403.538 5.388 50 0 HKAAMO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1 ZINC000036203021 569109477 /nfs/dbraw/zinc/10/94/77/569109477.db2.gz DPSJQDGJPGQDIH-NRFANRHFSA-N 1 1 403.538 5.388 50 0 HKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)o1 ZINC000036203025 569109427 /nfs/dbraw/zinc/10/94/27/569109427.db2.gz DPSJQDGJPGQDIH-OAQYLSRUSA-N 1 1 403.538 5.388 50 0 HKAAMO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)o1 ZINC000036203025 569109428 /nfs/dbraw/zinc/10/94/28/569109428.db2.gz DPSJQDGJPGQDIH-OAQYLSRUSA-N 1 1 403.538 5.388 50 0 HKAAMO Cc1ccccc1C[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)C1CC1 ZINC000036203273 569109463 /nfs/dbraw/zinc/10/94/63/569109463.db2.gz CRVWVTJWONJBSP-UHFFFAOYSA-N 1 1 423.556 6.037 50 0 HKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2ccc(C)s2)C[C@@H]2CCCO2)o1 ZINC000036203544 569109460 /nfs/dbraw/zinc/10/94/60/569109460.db2.gz WHJAERRSIXHURC-IBGZPJMESA-N 1 1 405.604 5.619 50 0 HKAAMO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2ccc(C)s2)C[C@@H]2CCCO2)o1 ZINC000036203544 569109461 /nfs/dbraw/zinc/10/94/61/569109461.db2.gz WHJAERRSIXHURC-IBGZPJMESA-N 1 1 405.604 5.619 50 0 HKAAMO CCCC(O)(CCC)c1ccc(C[N@@H+](Cc2ccc(C)s2)C[C@H]2CCCO2)o1 ZINC000036203549 569109690 /nfs/dbraw/zinc/10/96/90/569109690.db2.gz WHJAERRSIXHURC-LJQANCHMSA-N 1 1 405.604 5.619 50 0 HKAAMO CCCC(O)(CCC)c1ccc(C[N@H+](Cc2ccc(C)s2)C[C@H]2CCCO2)o1 ZINC000036203549 569109692 /nfs/dbraw/zinc/10/96/92/569109692.db2.gz WHJAERRSIXHURC-LJQANCHMSA-N 1 1 405.604 5.619 50 0 HKAAMO OC(c1ccc(C[N@@H+](Cc2ccccc2)C2CC2)o1)(c1cccs1)c1cccs1 ZINC000036203658 569109637 /nfs/dbraw/zinc/10/96/37/569109637.db2.gz HCCCTQBXTJIAHC-UHFFFAOYSA-N 1 1 421.587 5.851 50 0 HKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304791 569128988 /nfs/dbraw/zinc/12/89/88/569128988.db2.gz KTXYINPAQGEGKM-QHCPKHFHSA-N 1 1 419.569 5.407 50 0 HKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304794 569128961 /nfs/dbraw/zinc/12/89/61/569128961.db2.gz KTXYINPAQGEGKM-HSZRJFAPSA-N 1 1 419.569 5.407 50 0 HKAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304806 569128994 /nfs/dbraw/zinc/12/89/94/569128994.db2.gz YJVDZCZNFLBVBA-QFIPXVFZSA-N 1 1 405.542 5.017 50 0 HKAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C1CC1 ZINC000036304808 569128971 /nfs/dbraw/zinc/12/89/71/569128971.db2.gz YJVDZCZNFLBVBA-JOCHJYFZSA-N 1 1 405.542 5.017 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)CC ZINC000036304856 569128953 /nfs/dbraw/zinc/12/89/53/569128953.db2.gz YSZOXCXCPDNZNZ-JOCHJYFZSA-N 1 1 407.558 5.264 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)CC ZINC000036304859 569128932 /nfs/dbraw/zinc/12/89/32/569128932.db2.gz YSZOXCXCPDNZNZ-QFIPXVFZSA-N 1 1 407.558 5.264 50 0 HKAAMO CC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306393 569129700 /nfs/dbraw/zinc/12/97/00/569129700.db2.gz PEEPSRFFWLZPST-NRFANRHFSA-N 1 1 407.558 5.169 50 0 HKAAMO CC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C(C)C ZINC000036306395 569129711 /nfs/dbraw/zinc/12/97/11/569129711.db2.gz PEEPSRFFWLZPST-OAQYLSRUSA-N 1 1 407.558 5.169 50 0 HKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)CC ZINC000036306477 569129831 /nfs/dbraw/zinc/12/98/31/569129831.db2.gz ARROMINMPWWIJH-OAQYLSRUSA-N 1 1 407.558 5.171 50 0 HKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)CC ZINC000036306480 569129887 /nfs/dbraw/zinc/12/98/87/569129887.db2.gz ARROMINMPWWIJH-NRFANRHFSA-N 1 1 407.558 5.171 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306577 569129384 /nfs/dbraw/zinc/12/93/84/569129384.db2.gz WFYIRXFTMITOEU-QFIPXVFZSA-N 1 1 419.569 5.171 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)CC1CC1 ZINC000036306579 569129303 /nfs/dbraw/zinc/12/93/03/569129303.db2.gz WFYIRXFTMITOEU-JOCHJYFZSA-N 1 1 419.569 5.171 50 0 HKAAMO CCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C1CC1 ZINC000036307096 569129403 /nfs/dbraw/zinc/12/94/03/569129403.db2.gz 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CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307786 569130227 /nfs/dbraw/zinc/13/02/27/569130227.db2.gz XZVGJQCENUHTKW-NRFANRHFSA-N 1 1 423.532 5.001 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036307788 569130232 /nfs/dbraw/zinc/13/02/32/569130232.db2.gz XZVGJQCENUHTKW-OAQYLSRUSA-N 1 1 423.532 5.001 50 0 HKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)C(C)C ZINC000036308056 569130185 /nfs/dbraw/zinc/13/01/85/569130185.db2.gz NRLYSUKEEQWMLG-DEOSSOPVSA-N 1 1 421.585 5.354 50 0 HKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)C(C)C ZINC000036308059 569130279 /nfs/dbraw/zinc/13/02/79/569130279.db2.gz NRLYSUKEEQWMLG-XMMPIXPASA-N 1 1 421.585 5.354 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308062 569130240 /nfs/dbraw/zinc/13/02/40/569130240.db2.gz MJYQDULBJQWWLF-NRFANRHFSA-N 1 1 407.558 5.108 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)CC(C)C ZINC000036308066 569130189 /nfs/dbraw/zinc/13/01/89/569130189.db2.gz MJYQDULBJQWWLF-OAQYLSRUSA-N 1 1 407.558 5.108 50 0 HKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)C(C)C ZINC000036308243 569130405 /nfs/dbraw/zinc/13/04/05/569130405.db2.gz JQZYBZJTIKUTTE-QHCPKHFHSA-N 1 1 407.558 5.108 50 0 HKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)C(C)C ZINC000036308247 569130375 /nfs/dbraw/zinc/13/03/75/569130375.db2.gz JQZYBZJTIKUTTE-HSZRJFAPSA-N 1 1 407.558 5.108 50 0 HKAAMO CCC[C@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308515 569130449 /nfs/dbraw/zinc/13/04/49/569130449.db2.gz GRCGHLXSKQHLES-QFIPXVFZSA-N 1 1 407.558 5.346 50 0 HKAAMO CCC[C@@H](O)C[N@@H+](CCC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1 ZINC000036308518 569130363 /nfs/dbraw/zinc/13/03/63/569130363.db2.gz GRCGHLXSKQHLES-JOCHJYFZSA-N 1 1 407.558 5.346 50 0 HKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036313650 569133760 /nfs/dbraw/zinc/13/37/60/569133760.db2.gz KYCFCOTZEMIJLC-QFIPXVFZSA-N 1 1 421.585 5.641 50 0 HKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036313652 569133756 /nfs/dbraw/zinc/13/37/56/569133756.db2.gz KYCFCOTZEMIJLC-JOCHJYFZSA-N 1 1 421.585 5.641 50 0 HKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036313653 569133692 /nfs/dbraw/zinc/13/36/92/569133692.db2.gz HATRANIWOKSYSR-QHCPKHFHSA-N 1 1 421.585 5.735 50 0 HKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C(C)C ZINC000036313654 569133779 /nfs/dbraw/zinc/13/37/79/569133779.db2.gz HATRANIWOKSYSR-HSZRJFAPSA-N 1 1 421.585 5.735 50 0 HKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036313841 569133892 /nfs/dbraw/zinc/13/38/92/569133892.db2.gz GXBYZHCWFPBHQS-QFIPXVFZSA-N 1 1 419.569 5.395 50 0 HKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036313842 569133819 /nfs/dbraw/zinc/13/38/19/569133819.db2.gz GXBYZHCWFPBHQS-JOCHJYFZSA-N 1 1 419.569 5.395 50 0 HKAAMO CCCC[C@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313843 569133839 /nfs/dbraw/zinc/13/38/39/569133839.db2.gz LUMRPPYAHWNYSL-QFIPXVFZSA-N 1 1 421.585 5.643 50 0 HKAAMO CCCC[C@@H](O)C[N@@H+](CCC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036313844 569133801 /nfs/dbraw/zinc/13/38/01/569133801.db2.gz LUMRPPYAHWNYSL-JOCHJYFZSA-N 1 1 421.585 5.643 50 0 HKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@H](O)CC ZINC000036316232 569135105 /nfs/dbraw/zinc/13/51/05/569135105.db2.gz JFOUDTQYMVHFDC-JOCHJYFZSA-N 1 1 421.585 5.456 50 0 HKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](O)CC ZINC000036316233 569135146 /nfs/dbraw/zinc/13/51/46/569135146.db2.gz JFOUDTQYMVHFDC-QFIPXVFZSA-N 1 1 421.585 5.456 50 0 HKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@@H](C)O ZINC000036316236 569135154 /nfs/dbraw/zinc/13/51/54/569135154.db2.gz DIERNJDZURGJBS-HXUWFJFHSA-N 1 1 407.558 5.066 50 0 HKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@H](C)O ZINC000036316237 569135121 /nfs/dbraw/zinc/13/51/21/569135121.db2.gz DIERNJDZURGJBS-FQEVSTJZSA-N 1 1 407.558 5.066 50 0 HKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](C)O ZINC000036316550 569135083 /nfs/dbraw/zinc/13/50/83/569135083.db2.gz BRRJKCUYQKOGPJ-QGZVFWFLSA-N 1 1 413.949 5.124 50 0 HKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](C)O ZINC000036316551 569135162 /nfs/dbraw/zinc/13/51/62/569135162.db2.gz BRRJKCUYQKOGPJ-KRWDZBQOSA-N 1 1 413.949 5.124 50 0 HKAAMO Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036340898 569141527 /nfs/dbraw/zinc/14/15/27/569141527.db2.gz MTWFDWYCWJVQHA-MBSDFSHPSA-N 1 1 409.961 5.201 50 0 HKAAMO Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036340899 569141498 /nfs/dbraw/zinc/14/14/98/569141498.db2.gz MTWFDWYCWJVQHA-FDDCHVKYSA-N 1 1 409.961 5.201 50 0 HKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340948 558799104 /nfs/dbraw/zinc/79/91/04/558799104.db2.gz REACVQCBRXOSLI-ZHRRBRCNSA-N 1 1 413.924 5.031 50 0 HKAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccccc1Cl ZINC000036340949 558799115 /nfs/dbraw/zinc/79/91/15/558799115.db2.gz REACVQCBRXOSLI-AOMKIAJQSA-N 1 1 413.924 5.031 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340970 569141831 /nfs/dbraw/zinc/14/18/31/569141831.db2.gz ASUPPWPAGRMIRN-QHCPKHFHSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340971 569141783 /nfs/dbraw/zinc/14/17/83/569141783.db2.gz ASUPPWPAGRMIRN-HSZRJFAPSA-N 1 1 409.961 5.120 50 0 HKAAMO CC(C)[N@@H+](C)CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000036341008 569141862 /nfs/dbraw/zinc/14/18/62/569141862.db2.gz UWUDVKMLIFRMFB-FQEVSTJZSA-N 1 1 404.341 5.011 50 0 HKAAMO CC(C)[N@@H+](C)CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000036341009 569141865 /nfs/dbraw/zinc/14/18/65/569141865.db2.gz UWUDVKMLIFRMFB-HXUWFJFHSA-N 1 1 404.341 5.011 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@H](c3ccccc3)C2)cc1C ZINC000036341595 569141976 /nfs/dbraw/zinc/14/19/76/569141976.db2.gz HTSXDPOWOSTOEP-SANMLTNESA-N 1 1 411.549 5.113 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@H](c3ccccc3)C2)cc1C ZINC000036341595 569141977 /nfs/dbraw/zinc/14/19/77/569141977.db2.gz HTSXDPOWOSTOEP-SANMLTNESA-N 1 1 411.549 5.113 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341596 569141994 /nfs/dbraw/zinc/14/19/94/569141994.db2.gz HTSXDPOWOSTOEP-AREMUKBSSA-N 1 1 411.549 5.113 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341596 569141995 /nfs/dbraw/zinc/14/19/95/569141995.db2.gz HTSXDPOWOSTOEP-AREMUKBSSA-N 1 1 411.549 5.113 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@H](c3ccccc3)C2)cc1C ZINC000036341599 569142006 /nfs/dbraw/zinc/14/20/06/569142006.db2.gz XYEZLXUBUNRDCI-VWLOTQADSA-N 1 1 403.570 5.246 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@@H](c3ccccc3)C2)cc1C ZINC000036341600 569142023 /nfs/dbraw/zinc/14/20/23/569142023.db2.gz XYEZLXUBUNRDCI-RUZDIDTESA-N 1 1 403.570 5.246 50 0 HKAAMO CC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036341996 569142090 /nfs/dbraw/zinc/14/20/90/569142090.db2.gz BJHPXMRFKUAGQU-FQEVSTJZSA-N 1 1 411.521 5.093 50 0 HKAAMO CC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C(C)C ZINC000036341997 569142225 /nfs/dbraw/zinc/14/22/25/569142225.db2.gz BJHPXMRFKUAGQU-HXUWFJFHSA-N 1 1 411.521 5.093 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@H](O)CC ZINC000036342094 569142184 /nfs/dbraw/zinc/14/21/84/569142184.db2.gz RHKPJHDBFWUNGD-OAQYLSRUSA-N 1 1 411.521 5.095 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)C[C@@H](O)CC ZINC000036342095 569142108 /nfs/dbraw/zinc/14/21/08/569142108.db2.gz RHKPJHDBFWUNGD-NRFANRHFSA-N 1 1 411.521 5.095 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342118 569142096 /nfs/dbraw/zinc/14/20/96/569142096.db2.gz UGECPUFRTSPMQR-QFIPXVFZSA-N 1 1 423.532 5.095 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1)CC1CC1 ZINC000036342119 569142134 /nfs/dbraw/zinc/14/21/34/569142134.db2.gz UGECPUFRTSPMQR-JOCHJYFZSA-N 1 1 423.532 5.095 50 0 HKAAMO CC[N@@H+](CC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000036342524 569142196 /nfs/dbraw/zinc/14/21/96/569142196.db2.gz KMBIPPUXZQSARD-VWLOTQADSA-N 1 1 421.560 5.466 50 0 HKAAMO CC[N@@H+](CC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000036342525 569142204 /nfs/dbraw/zinc/14/22/04/569142204.db2.gz KMBIPPUXZQSARD-RUZDIDTESA-N 1 1 421.560 5.466 50 0 HKAAMO CC[N@@H+](CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC000036342854 569142119 /nfs/dbraw/zinc/14/21/19/569142119.db2.gz RJKRFMZBHWYGDR-DEOSSOPVSA-N 1 1 423.988 5.672 50 0 HKAAMO CC[N@@H+](CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC000036342856 569142075 /nfs/dbraw/zinc/14/20/75/569142075.db2.gz RJKRFMZBHWYGDR-XMMPIXPASA-N 1 1 423.988 5.672 50 0 HKAAMO Cc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036343521 569143073 /nfs/dbraw/zinc/14/30/73/569143073.db2.gz JNIKXAWWAVGXBW-SANMLTNESA-N 1 1 411.549 5.113 50 0 HKAAMO Cc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036343521 569143074 /nfs/dbraw/zinc/14/30/74/569143074.db2.gz JNIKXAWWAVGXBW-SANMLTNESA-N 1 1 411.549 5.113 50 0 HKAAMO Cc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000036343523 569143083 /nfs/dbraw/zinc/14/30/83/569143083.db2.gz JNIKXAWWAVGXBW-AREMUKBSSA-N 1 1 411.549 5.113 50 0 HKAAMO Cc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000036343523 569143084 /nfs/dbraw/zinc/14/30/84/569143084.db2.gz JNIKXAWWAVGXBW-AREMUKBSSA-N 1 1 411.549 5.113 50 0 HKAAMO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036343555 569142355 /nfs/dbraw/zinc/14/23/55/569142355.db2.gz AWNLMWISWSJOFI-OFVILXPXSA-N 1 1 403.570 5.164 50 0 HKAAMO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036343556 569142429 /nfs/dbraw/zinc/14/24/29/569142429.db2.gz AWNLMWISWSJOFI-SQJMNOBHSA-N 1 1 403.570 5.164 50 0 HKAAMO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036343581 569142308 /nfs/dbraw/zinc/14/23/08/569142308.db2.gz JIAFNLVBMOJTMN-SANMLTNESA-N 1 1 417.597 5.554 50 0 HKAAMO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@H+](C)C2CCCCC2)cc1 ZINC000036343584 569142305 /nfs/dbraw/zinc/14/23/05/569142305.db2.gz JIAFNLVBMOJTMN-AREMUKBSSA-N 1 1 417.597 5.554 50 0 HKAAMO Cc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036343611 569142389 /nfs/dbraw/zinc/14/23/89/569142389.db2.gz WDAULNIXMGCADE-OFVILXPXSA-N 1 1 403.570 5.164 50 0 HKAAMO Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000036343612 569142314 /nfs/dbraw/zinc/14/23/14/569142314.db2.gz WDAULNIXMGCADE-SQJMNOBHSA-N 1 1 403.570 5.164 50 0 HKAAMO C[N@H+](CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036343737 569142318 /nfs/dbraw/zinc/14/23/18/569142318.db2.gz BKKJHSQXAZBBGO-DEOSSOPVSA-N 1 1 417.940 5.150 50 0 HKAAMO C[N@@H+](CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036343737 569142319 /nfs/dbraw/zinc/14/23/19/569142319.db2.gz BKKJHSQXAZBBGO-DEOSSOPVSA-N 1 1 417.940 5.150 50 0 HKAAMO C[N@H+](CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036343739 569142381 /nfs/dbraw/zinc/14/23/81/569142381.db2.gz BKKJHSQXAZBBGO-XMMPIXPASA-N 1 1 417.940 5.150 50 0 HKAAMO C[N@@H+](CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1Cl)Cc1ccccc1 ZINC000036343739 569142383 /nfs/dbraw/zinc/14/23/83/569142383.db2.gz BKKJHSQXAZBBGO-XMMPIXPASA-N 1 1 417.940 5.150 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343834 569142326 /nfs/dbraw/zinc/14/23/26/569142326.db2.gz AKVZLYHEBVOMAY-QHCPKHFHSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343835 569142371 /nfs/dbraw/zinc/14/23/71/569142371.db2.gz AKVZLYHEBVOMAY-HSZRJFAPSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343864 569142312 /nfs/dbraw/zinc/14/23/12/569142312.db2.gz JIRMUFOETAWUKW-QHCPKHFHSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343866 569142369 /nfs/dbraw/zinc/14/23/69/569142369.db2.gz JIRMUFOETAWUKW-HSZRJFAPSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036344546 569142713 /nfs/dbraw/zinc/14/27/13/569142713.db2.gz YAJVIHOWZSOUAD-QHCPKHFHSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036344547 569142688 /nfs/dbraw/zinc/14/26/88/569142688.db2.gz YAJVIHOWZSOUAD-HSZRJFAPSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)cc1C ZINC000036344706 569142884 /nfs/dbraw/zinc/14/28/84/569142884.db2.gz JQGZPUPVSLNDGF-VWLOTQADSA-N 1 1 421.560 5.385 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)cc1C ZINC000036344707 569142833 /nfs/dbraw/zinc/14/28/33/569142833.db2.gz JQGZPUPVSLNDGF-RUZDIDTESA-N 1 1 421.560 5.385 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344782 569142897 /nfs/dbraw/zinc/14/28/97/569142897.db2.gz IJVFCZYIUWOPAE-VWLOTQADSA-N 1 1 421.560 5.385 50 0 HKAAMO Cc1ccc(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)c(C)c1 ZINC000036344783 569142864 /nfs/dbraw/zinc/14/28/64/569142864.db2.gz IJVFCZYIUWOPAE-RUZDIDTESA-N 1 1 421.560 5.385 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@H](c3cccc(F)c3)C2)c1 ZINC000036344808 558799094 /nfs/dbraw/zinc/79/90/94/558799094.db2.gz SVLHDTSRILHBTA-VWLOTQADSA-N 1 1 421.560 5.385 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@H+](C)C3CCCCC3)[C@@H](c3cccc(F)c3)C2)c1 ZINC000036344809 558799110 /nfs/dbraw/zinc/79/91/10/558799110.db2.gz SVLHDTSRILHBTA-RUZDIDTESA-N 1 1 421.560 5.385 50 0 HKAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345043 569143035 /nfs/dbraw/zinc/14/30/35/569143035.db2.gz ZGONRFLXCAMTJX-MBSDFSHPSA-N 1 1 409.961 5.201 50 0 HKAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345044 569142985 /nfs/dbraw/zinc/14/29/85/569142985.db2.gz ZGONRFLXCAMTJX-FDDCHVKYSA-N 1 1 409.961 5.201 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345061 569143021 /nfs/dbraw/zinc/14/30/21/569143021.db2.gz HDKDXXMWGKATOC-QHCPKHFHSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345062 569143000 /nfs/dbraw/zinc/14/30/00/569143000.db2.gz HDKDXXMWGKATOC-HSZRJFAPSA-N 1 1 409.961 5.120 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345065 569143058 /nfs/dbraw/zinc/14/30/58/569143058.db2.gz NTNBWGVUMLAPRI-CYFREDJKSA-N 1 1 423.988 5.509 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+]3CCCC[C@@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345066 569143025 /nfs/dbraw/zinc/14/30/25/569143025.db2.gz NTNBWGVUMLAPRI-YADARESESA-N 1 1 423.988 5.509 50 0 HKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CC(C)C)C[C@@H](C)O ZINC000036345839 569143408 /nfs/dbraw/zinc/14/34/08/569143408.db2.gz BFWKYFIRHPQLRN-HXUWFJFHSA-N 1 1 407.558 5.120 50 0 HKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CC(C)C)C[C@H](C)O ZINC000036345840 569143378 /nfs/dbraw/zinc/14/33/78/569143378.db2.gz BFWKYFIRHPQLRN-FQEVSTJZSA-N 1 1 407.558 5.120 50 0 HKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345883 569143374 /nfs/dbraw/zinc/14/33/74/569143374.db2.gz ZRTJGTCTZVXROE-QHCPKHFHSA-N 1 1 419.569 5.407 50 0 HKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C1CC1 ZINC000036345884 569143414 /nfs/dbraw/zinc/14/34/14/569143414.db2.gz ZRTJGTCTZVXROE-HSZRJFAPSA-N 1 1 419.569 5.407 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)C(C)C ZINC000036345915 569143336 /nfs/dbraw/zinc/14/33/36/569143336.db2.gz VYUIBXWFAFLGRD-VWLOTQADSA-N 1 1 421.585 5.510 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)C(C)C ZINC000036345916 569143367 /nfs/dbraw/zinc/14/33/67/569143367.db2.gz VYUIBXWFAFLGRD-RUZDIDTESA-N 1 1 421.585 5.510 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@H](O)CC ZINC000036345921 569143490 /nfs/dbraw/zinc/14/34/90/569143490.db2.gz NTQUTHMGVYEPLN-JOCHJYFZSA-N 1 1 407.558 5.264 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](O)CC ZINC000036345922 569143675 /nfs/dbraw/zinc/14/36/75/569143675.db2.gz NTQUTHMGVYEPLN-QFIPXVFZSA-N 1 1 407.558 5.264 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345947 569143524 /nfs/dbraw/zinc/14/35/24/569143524.db2.gz AEOGRNNLEFLHBK-QHCPKHFHSA-N 1 1 419.569 5.264 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)CC1CC1 ZINC000036345948 569143558 /nfs/dbraw/zinc/14/35/58/569143558.db2.gz AEOGRNNLEFLHBK-HSZRJFAPSA-N 1 1 419.569 5.264 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)CC ZINC000036346061 569143583 /nfs/dbraw/zinc/14/35/83/569143583.db2.gz SUUINDNBWBVCRJ-HXUWFJFHSA-N 1 1 411.521 5.095 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)CC ZINC000036346062 569143616 /nfs/dbraw/zinc/14/36/16/569143616.db2.gz SUUINDNBWBVCRJ-FQEVSTJZSA-N 1 1 411.521 5.095 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346091 569143663 /nfs/dbraw/zinc/14/36/63/569143663.db2.gz URMFDQJZWJHUKA-NRFANRHFSA-N 1 1 423.532 5.095 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)CC1CC1 ZINC000036346092 569143517 /nfs/dbraw/zinc/14/35/17/569143517.db2.gz URMFDQJZWJHUKA-OAQYLSRUSA-N 1 1 423.532 5.095 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346121 569143511 /nfs/dbraw/zinc/14/35/11/569143511.db2.gz HDQORJRGCMLRHG-QHCPKHFHSA-N 1 1 421.585 5.510 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)CC(C)C ZINC000036346122 569143535 /nfs/dbraw/zinc/14/35/35/569143535.db2.gz HDQORJRGCMLRHG-HSZRJFAPSA-N 1 1 421.585 5.510 50 0 HKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](CC(C)C)C[C@@H](C)O ZINC000036346125 569143577 /nfs/dbraw/zinc/14/35/77/569143577.db2.gz XGQSWTBAJPZLTL-HXUWFJFHSA-N 1 1 407.558 5.120 50 0 HKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](CC(C)C)C[C@H](C)O ZINC000036346126 569143679 /nfs/dbraw/zinc/14/36/79/569143679.db2.gz XGQSWTBAJPZLTL-FQEVSTJZSA-N 1 1 407.558 5.120 50 0 HKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346336 569143653 /nfs/dbraw/zinc/14/36/53/569143653.db2.gz JLOCFTVSXQETDL-QFIPXVFZSA-N 1 1 423.532 5.238 50 0 HKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C1CC1 ZINC000036346338 569143637 /nfs/dbraw/zinc/14/36/37/569143637.db2.gz JLOCFTVSXQETDL-JOCHJYFZSA-N 1 1 423.532 5.238 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H](O)CC ZINC000036346380 569143650 /nfs/dbraw/zinc/14/36/50/569143650.db2.gz XKALJBKZXLOZIU-OAQYLSRUSA-N 1 1 411.521 5.095 50 0 HKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H](O)CC ZINC000036346381 569143633 /nfs/dbraw/zinc/14/36/33/569143633.db2.gz XKALJBKZXLOZIU-NRFANRHFSA-N 1 1 411.521 5.095 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346427 569143672 /nfs/dbraw/zinc/14/36/72/569143672.db2.gz BTODHPQJWPXWOT-QFIPXVFZSA-N 1 1 423.532 5.095 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(F)c1)CC1CC1 ZINC000036346428 569143480 /nfs/dbraw/zinc/14/34/80/569143480.db2.gz BTODHPQJWPXWOT-JOCHJYFZSA-N 1 1 423.532 5.095 50 0 HKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](C)O)C(C)C ZINC000036346513 569143656 /nfs/dbraw/zinc/14/36/56/569143656.db2.gz AOMVLARRXWZLJF-HXUWFJFHSA-N 1 1 407.558 5.127 50 0 HKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](C)O)C(C)C ZINC000036346514 569143627 /nfs/dbraw/zinc/14/36/27/569143627.db2.gz AOMVLARRXWZLJF-FQEVSTJZSA-N 1 1 407.558 5.127 50 0 HKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](C)O)CC1CC1 ZINC000036346544 569143669 /nfs/dbraw/zinc/14/36/69/569143669.db2.gz CPERAKBAZIBVOE-HXUWFJFHSA-N 1 1 419.569 5.128 50 0 HKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](C)O)CC1CC1 ZINC000036346545 569143779 /nfs/dbraw/zinc/14/37/79/569143779.db2.gz CPERAKBAZIBVOE-FQEVSTJZSA-N 1 1 419.569 5.128 50 0 HKAAMO CC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346777 569143740 /nfs/dbraw/zinc/14/37/40/569143740.db2.gz TWAQUCXWENNNJY-QFIPXVFZSA-N 1 1 421.585 5.417 50 0 HKAAMO CC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)CC(C)C ZINC000036346778 569143805 /nfs/dbraw/zinc/14/38/05/569143805.db2.gz TWAQUCXWENNNJY-JOCHJYFZSA-N 1 1 421.585 5.417 50 0 HKAAMO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](C)O)c(-c3ccccc3)nn2C)cc1 ZINC000036346781 569143846 /nfs/dbraw/zinc/14/38/46/569143846.db2.gz IPJAUZJUKPILEW-HXUWFJFHSA-N 1 1 407.558 5.027 50 0 HKAAMO Cc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](C)O)c(-c3ccccc3)nn2C)cc1 ZINC000036346782 569143792 /nfs/dbraw/zinc/14/37/92/569143792.db2.gz IPJAUZJUKPILEW-FQEVSTJZSA-N 1 1 407.558 5.027 50 0 HKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036346815 569143621 /nfs/dbraw/zinc/14/36/21/569143621.db2.gz VITAVNHDPDJDSG-WOJBJXKFSA-N 1 1 407.558 5.169 50 0 HKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036346816 569143530 /nfs/dbraw/zinc/14/35/30/569143530.db2.gz VITAVNHDPDJDSG-VQTJNVASSA-N 1 1 407.558 5.169 50 0 HKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036347340 569143842 /nfs/dbraw/zinc/14/38/42/569143842.db2.gz VLJGNYHTKMLRMA-NRFANRHFSA-N 1 1 404.863 6.156 50 0 HKAAMO FC(F)(F)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036347340 569143843 /nfs/dbraw/zinc/14/38/43/569143843.db2.gz VLJGNYHTKMLRMA-NRFANRHFSA-N 1 1 404.863 6.156 50 0 HKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036347341 569143837 /nfs/dbraw/zinc/14/38/37/569143837.db2.gz VLJGNYHTKMLRMA-OAQYLSRUSA-N 1 1 404.863 6.156 50 0 HKAAMO FC(F)(F)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Cl)c2)cc1 ZINC000036347341 569143838 /nfs/dbraw/zinc/14/38/38/569143838.db2.gz VLJGNYHTKMLRMA-OAQYLSRUSA-N 1 1 404.863 6.156 50 0 HKAAMO COc1cc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347382 569143786 /nfs/dbraw/zinc/14/37/86/569143786.db2.gz FGZYYWCZTKNNSG-QFIPXVFZSA-N 1 1 416.443 5.216 50 0 HKAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347382 569143787 /nfs/dbraw/zinc/14/37/87/569143787.db2.gz FGZYYWCZTKNNSG-QFIPXVFZSA-N 1 1 416.443 5.216 50 0 HKAAMO COc1cc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347383 569143823 /nfs/dbraw/zinc/14/38/23/569143823.db2.gz FGZYYWCZTKNNSG-JOCHJYFZSA-N 1 1 416.443 5.216 50 0 HKAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(F)(F)F)cc2)ccc1O ZINC000036347383 569143824 /nfs/dbraw/zinc/14/38/24/569143824.db2.gz FGZYYWCZTKNNSG-JOCHJYFZSA-N 1 1 416.443 5.216 50 0 HKAAMO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)c1 ZINC000036347430 569143981 /nfs/dbraw/zinc/14/39/81/569143981.db2.gz JLCGFNJDMYEZCE-SANMLTNESA-N 1 1 404.554 5.624 50 0 HKAAMO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)C)cc2)c1 ZINC000036347431 569143986 /nfs/dbraw/zinc/14/39/86/569143986.db2.gz JLCGFNJDMYEZCE-AREMUKBSSA-N 1 1 404.554 5.624 50 0 HKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000036347686 569144134 /nfs/dbraw/zinc/14/41/34/569144134.db2.gz LZTHXSHBZCLMFV-SANMLTNESA-N 1 1 418.581 5.798 50 0 HKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C(C)(C)C)cc2)cc1OC ZINC000036347687 569144198 /nfs/dbraw/zinc/14/41/98/569144198.db2.gz LZTHXSHBZCLMFV-AREMUKBSSA-N 1 1 418.581 5.798 50 0 HKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)(C)C)cc2)c1OC ZINC000036347863 569144204 /nfs/dbraw/zinc/14/42/04/569144204.db2.gz SVOBAYGYUQEJPC-RUZDIDTESA-N 1 1 418.581 5.798 50 0 HKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)(C)C)cc2)c1OC ZINC000036347864 569144297 /nfs/dbraw/zinc/14/42/97/569144297.db2.gz SVOBAYGYUQEJPC-VWLOTQADSA-N 1 1 418.581 5.798 50 0 HKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347871 569144420 /nfs/dbraw/zinc/14/44/20/569144420.db2.gz SZUPMKUAUCPGPE-NDEPHWFRSA-N 1 1 408.545 6.584 50 0 HKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347872 569144380 /nfs/dbraw/zinc/14/43/80/569144380.db2.gz SZUPMKUAUCPGPE-MUUNZHRXSA-N 1 1 408.545 6.584 50 0 HKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347879 569144486 /nfs/dbraw/zinc/14/44/86/569144486.db2.gz RMBOLYIEAUDSFP-NDEPHWFRSA-N 1 1 424.544 6.284 50 0 HKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347880 569144478 /nfs/dbraw/zinc/14/44/78/569144478.db2.gz RMBOLYIEAUDSFP-MUUNZHRXSA-N 1 1 424.544 6.284 50 0 HKAAMO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347881 569144433 /nfs/dbraw/zinc/14/44/33/569144433.db2.gz NEKBUBHJMWTBIC-HHHXNRCGSA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347881 569144435 /nfs/dbraw/zinc/14/44/35/569144435.db2.gz NEKBUBHJMWTBIC-HHHXNRCGSA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347882 569144526 /nfs/dbraw/zinc/14/45/26/569144526.db2.gz NEKBUBHJMWTBIC-MHZLTWQESA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 ZINC000036347882 569144527 /nfs/dbraw/zinc/14/45/27/569144527.db2.gz NEKBUBHJMWTBIC-MHZLTWQESA-N 1 1 412.508 6.415 50 0 HKAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347883 569144441 /nfs/dbraw/zinc/14/44/41/569144441.db2.gz SYKSCWKGHATVGB-NDEPHWFRSA-N 1 1 424.544 6.284 50 0 HKAAMO COc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347884 569144415 /nfs/dbraw/zinc/14/44/15/569144415.db2.gz SYKSCWKGHATVGB-MUUNZHRXSA-N 1 1 424.544 6.284 50 0 HKAAMO Fc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347889 569144489 /nfs/dbraw/zinc/14/44/89/569144489.db2.gz MGFNYZYIQZJUOE-HHHXNRCGSA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347889 569144490 /nfs/dbraw/zinc/14/44/90/569144490.db2.gz MGFNYZYIQZJUOE-HHHXNRCGSA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347890 569144492 /nfs/dbraw/zinc/14/44/92/569144492.db2.gz MGFNYZYIQZJUOE-MHZLTWQESA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000036347890 569144493 /nfs/dbraw/zinc/14/44/93/569144493.db2.gz MGFNYZYIQZJUOE-MHZLTWQESA-N 1 1 412.508 6.415 50 0 HKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347897 569144523 /nfs/dbraw/zinc/14/45/23/569144523.db2.gz YTGXCOPJYOJRHU-NDEPHWFRSA-N 1 1 408.545 6.584 50 0 HKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(Oc3ccccc3)c2)c1 ZINC000036347898 569144517 /nfs/dbraw/zinc/14/45/17/569144517.db2.gz YTGXCOPJYOJRHU-MUUNZHRXSA-N 1 1 408.545 6.584 50 0 HKAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000036348011 569144535 /nfs/dbraw/zinc/14/45/35/569144535.db2.gz GMLHJCKIDPEZMG-AREMUKBSSA-N 1 1 404.554 5.624 50 0 HKAAMO COc1cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)cc(OC)c1 ZINC000036348012 569144404 /nfs/dbraw/zinc/14/44/04/569144404.db2.gz GMLHJCKIDPEZMG-SANMLTNESA-N 1 1 404.554 5.624 50 0 HKAAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036348027 569144386 /nfs/dbraw/zinc/14/43/86/569144386.db2.gz QTHRKGQOTOPTSW-XMMPIXPASA-N 1 1 412.499 6.626 50 0 HKAAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036348027 569144388 /nfs/dbraw/zinc/14/43/88/569144388.db2.gz QTHRKGQOTOPTSW-XMMPIXPASA-N 1 1 412.499 6.626 50 0 HKAAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036348028 569144532 /nfs/dbraw/zinc/14/45/32/569144532.db2.gz QTHRKGQOTOPTSW-DEOSSOPVSA-N 1 1 412.499 6.626 50 0 HKAAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)cc1 ZINC000036348028 569144533 /nfs/dbraw/zinc/14/45/33/569144533.db2.gz QTHRKGQOTOPTSW-DEOSSOPVSA-N 1 1 412.499 6.626 50 0 HKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C(C)C)cc2)c1OC ZINC000036348033 569144453 /nfs/dbraw/zinc/14/44/53/569144453.db2.gz PNJXQNCOVMGKFM-RUZDIDTESA-N 1 1 404.554 5.624 50 0 HKAAMO COc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C(C)C)cc2)c1OC ZINC000036348034 569144483 /nfs/dbraw/zinc/14/44/83/569144483.db2.gz PNJXQNCOVMGKFM-VWLOTQADSA-N 1 1 404.554 5.624 50 0 HKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036348087 569144427 /nfs/dbraw/zinc/14/44/27/569144427.db2.gz UPJUVTJXOUUCBJ-XMMPIXPASA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036348087 569144429 /nfs/dbraw/zinc/14/44/29/569144429.db2.gz UPJUVTJXOUUCBJ-XMMPIXPASA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036348088 569144458 /nfs/dbraw/zinc/14/44/58/569144458.db2.gz UPJUVTJXOUUCBJ-DEOSSOPVSA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(OC)c(OC)c2OC)cc1 ZINC000036348088 569144460 /nfs/dbraw/zinc/14/44/60/569144460.db2.gz UPJUVTJXOUUCBJ-DEOSSOPVSA-N 1 1 420.553 5.072 50 0 HKAAMO Fc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348239 569144511 /nfs/dbraw/zinc/14/45/11/569144511.db2.gz KAGPYVRPLLGILZ-MHZLTWQESA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348239 569144512 /nfs/dbraw/zinc/14/45/12/569144512.db2.gz KAGPYVRPLLGILZ-MHZLTWQESA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348240 569144370 /nfs/dbraw/zinc/14/43/70/569144370.db2.gz KAGPYVRPLLGILZ-HHHXNRCGSA-N 1 1 412.508 6.415 50 0 HKAAMO Fc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348240 569144371 /nfs/dbraw/zinc/14/43/71/569144371.db2.gz KAGPYVRPLLGILZ-HHHXNRCGSA-N 1 1 412.508 6.415 50 0 HKAAMO Cc1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000036348303 569144044 /nfs/dbraw/zinc/14/40/44/569144044.db2.gz NJMBSVZZMBNGRN-MUUNZHRXSA-N 1 1 408.545 6.584 50 0 HKAAMO Cc1ccccc1[C@H]1c2cccn2CCC[N@@H+]1Cc1cccc(Oc2ccccc2)c1 ZINC000036348304 569144088 /nfs/dbraw/zinc/14/40/88/569144088.db2.gz NJMBSVZZMBNGRN-NDEPHWFRSA-N 1 1 408.545 6.584 50 0 HKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348337 569144291 /nfs/dbraw/zinc/14/42/91/569144291.db2.gz DDDSFRCYXSNJTC-JOCHJYFZSA-N 1 1 400.444 5.511 50 0 HKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348337 569144293 /nfs/dbraw/zinc/14/42/93/569144293.db2.gz DDDSFRCYXSNJTC-JOCHJYFZSA-N 1 1 400.444 5.511 50 0 HKAAMO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348338 569144163 /nfs/dbraw/zinc/14/41/63/569144163.db2.gz DDDSFRCYXSNJTC-QFIPXVFZSA-N 1 1 400.444 5.511 50 0 HKAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C(F)(F)F)c2)c1 ZINC000036348338 569144165 /nfs/dbraw/zinc/14/41/65/569144165.db2.gz DDDSFRCYXSNJTC-QFIPXVFZSA-N 1 1 400.444 5.511 50 0 HKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348349 569144327 /nfs/dbraw/zinc/14/43/27/569144327.db2.gz QPKPXPKPIYQLIF-JOCHJYFZSA-N 1 1 400.444 5.511 50 0 HKAAMO COc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348349 569144328 /nfs/dbraw/zinc/14/43/28/569144328.db2.gz QPKPXPKPIYQLIF-JOCHJYFZSA-N 1 1 400.444 5.511 50 0 HKAAMO COc1cccc([C@H]2c3cccn3CCC[N@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348350 569144254 /nfs/dbraw/zinc/14/42/54/569144254.db2.gz QPKPXPKPIYQLIF-QFIPXVFZSA-N 1 1 400.444 5.511 50 0 HKAAMO COc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C(F)(F)F)c1 ZINC000036348350 569144255 /nfs/dbraw/zinc/14/42/55/569144255.db2.gz QPKPXPKPIYQLIF-QFIPXVFZSA-N 1 1 400.444 5.511 50 0 HKAAMO Cc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348385 569144238 /nfs/dbraw/zinc/14/42/38/569144238.db2.gz YZJRAQJEPJBCPI-MUUNZHRXSA-N 1 1 408.545 6.584 50 0 HKAAMO Cc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(Oc3ccccc3)c2)c1 ZINC000036348386 569144188 /nfs/dbraw/zinc/14/41/88/569144188.db2.gz YZJRAQJEPJBCPI-NDEPHWFRSA-N 1 1 408.545 6.584 50 0 HKAAMO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348547 569144409 /nfs/dbraw/zinc/14/44/09/569144409.db2.gz VDIWXWUNOUVJSG-DEOSSOPVSA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348547 569144410 /nfs/dbraw/zinc/14/44/10/569144410.db2.gz VDIWXWUNOUVJSG-DEOSSOPVSA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348548 569144358 /nfs/dbraw/zinc/14/43/58/569144358.db2.gz VDIWXWUNOUVJSG-XMMPIXPASA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(OC)c(OC)c2OC)cc1 ZINC000036348548 569144359 /nfs/dbraw/zinc/14/43/59/569144359.db2.gz VDIWXWUNOUVJSG-XMMPIXPASA-N 1 1 420.553 5.072 50 0 HKAAMO COc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2C)c(OC)c1OC ZINC000036348558 569144502 /nfs/dbraw/zinc/14/45/02/569144502.db2.gz NTWMLMHPCYGEOK-DEOSSOPVSA-N 1 1 420.553 5.126 50 0 HKAAMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2C)c(OC)c1OC ZINC000036348560 569144338 /nfs/dbraw/zinc/14/43/38/569144338.db2.gz NTWMLMHPCYGEOK-XMMPIXPASA-N 1 1 420.553 5.126 50 0 HKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)C[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000036383309 569158732 /nfs/dbraw/zinc/15/87/32/569158732.db2.gz XNDXEIYARWEMSV-YMPZKCBVSA-N 1 1 403.547 5.350 50 0 HKAAMO Cc1ccc(C(=O)[C@H]2C[N@H+](C)[C@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000036383310 558799577 /nfs/dbraw/zinc/79/95/77/558799577.db2.gz XNDXEIYARWEMSV-MDNUFGMLSA-N 1 1 403.547 5.350 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)[C@H]1CCCc2ccccc21 ZINC000036447036 569185041 /nfs/dbraw/zinc/18/50/41/569185041.db2.gz MPKOXKGPBIYWGW-KNQAVFIVSA-N 1 1 419.594 5.012 50 0 HKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1ccc(OC(F)F)cc1)C1CCCCC1 ZINC000037143098 569238790 /nfs/dbraw/zinc/23/87/90/569238790.db2.gz OSSGYWKIQMSUQI-UHFFFAOYSA-N 1 1 402.485 5.234 50 0 HKAAMO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000037522847 569303273 /nfs/dbraw/zinc/30/32/73/569303273.db2.gz GXEKTIXEFMQFNQ-VWLOTQADSA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000037522847 569303275 /nfs/dbraw/zinc/30/32/75/569303275.db2.gz GXEKTIXEFMQFNQ-VWLOTQADSA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000037522848 569303247 /nfs/dbraw/zinc/30/32/47/569303247.db2.gz GXEKTIXEFMQFNQ-RUZDIDTESA-N 1 1 420.553 5.072 50 0 HKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000037522848 569303248 /nfs/dbraw/zinc/30/32/48/569303248.db2.gz GXEKTIXEFMQFNQ-RUZDIDTESA-N 1 1 420.553 5.072 50 0 HKAAMO COc1cc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)ccc2C)cc(OC)c1OC ZINC000037523242 569302913 /nfs/dbraw/zinc/30/29/13/569302913.db2.gz UCOMDIACLZYKNL-VWLOTQADSA-N 1 1 420.553 5.126 50 0 HKAAMO COc1cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)ccc2C)cc(OC)c1OC ZINC000037523243 569302922 /nfs/dbraw/zinc/30/29/22/569302922.db2.gz UCOMDIACLZYKNL-RUZDIDTESA-N 1 1 420.553 5.126 50 0 HKAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c(OC)c1OC ZINC000037523551 569303630 /nfs/dbraw/zinc/30/36/30/569303630.db2.gz JYPFBOXQLKGJFG-XMMPIXPASA-N 1 1 420.553 5.126 50 0 HKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c(OC)c1OC ZINC000037523551 569303631 /nfs/dbraw/zinc/30/36/31/569303631.db2.gz JYPFBOXQLKGJFG-XMMPIXPASA-N 1 1 420.553 5.126 50 0 HKAAMO COc1ccc(C[N@@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c(OC)c1OC ZINC000037523552 569303623 /nfs/dbraw/zinc/30/36/23/569303623.db2.gz JYPFBOXQLKGJFG-DEOSSOPVSA-N 1 1 420.553 5.126 50 0 HKAAMO COc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c(OC)c1OC ZINC000037523552 569303624 /nfs/dbraw/zinc/30/36/24/569303624.db2.gz JYPFBOXQLKGJFG-DEOSSOPVSA-N 1 1 420.553 5.126 50 0 HKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@@H](CN(CC(C)C)C(=O)C(C)C)C2)cc1 ZINC000037524001 569303356 /nfs/dbraw/zinc/30/33/56/569303356.db2.gz HBDNNOHQOVOIDR-RSXGOPAZSA-N 1 1 424.604 5.490 50 0 HKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@H](c3cccc(F)c3)C2)cc1 ZINC000037524002 569303342 /nfs/dbraw/zinc/30/33/42/569303342.db2.gz HBDNNOHQOVOIDR-AHWVRZQESA-N 1 1 424.604 5.490 50 0 HKAAMO O=C(c1ccc(F)cc1)N(c1ccccc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037580700 568460054 /nfs/dbraw/zinc/46/00/54/568460054.db2.gz XRWRYXYYPCMINK-UHFFFAOYSA-N 1 1 424.466 5.415 50 0 HKAAMO Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037580702 569308096 /nfs/dbraw/zinc/30/80/96/569308096.db2.gz YCOUTWKUARFTII-UHFFFAOYSA-N 1 1 420.503 5.585 50 0 HKAAMO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000037580709 569308060 /nfs/dbraw/zinc/30/80/60/569308060.db2.gz SIDFVDPWUNVCAO-UHFFFAOYSA-N 1 1 424.466 5.415 50 0 HKAAMO CCc1ccc(N(C(=O)C(C)C)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037580727 569308153 /nfs/dbraw/zinc/30/81/53/569308153.db2.gz KPOJVWHHOQDQRZ-UHFFFAOYSA-N 1 1 400.513 5.181 50 0 HKAAMO O=C(c1ccccc1)N(c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037580745 559255507 /nfs/dbraw/zinc/25/55/07/559255507.db2.gz CQBPDQLITDWRCE-UHFFFAOYSA-N 1 1 406.476 5.276 50 0 HKAAMO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587621 569308196 /nfs/dbraw/zinc/30/81/96/569308196.db2.gz MYLJNXGPPDWNCG-UHFFFAOYSA-N 1 1 420.503 5.585 50 0 HKAAMO Cc1cccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(F)cc3F)CC2)c1 ZINC000037587661 569308239 /nfs/dbraw/zinc/30/82/39/569308239.db2.gz DEGWAJPNGCZDFB-UHFFFAOYSA-N 1 1 420.503 5.585 50 0 HKAAMO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587777 569308252 /nfs/dbraw/zinc/30/82/52/569308252.db2.gz HCQZYFDTDPYAER-UHFFFAOYSA-N 1 1 404.476 5.210 50 0 HKAAMO CC(C)CC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587919 569308217 /nfs/dbraw/zinc/30/82/17/569308217.db2.gz IJAOGZNMEFIKSI-UHFFFAOYSA-N 1 1 404.476 5.148 50 0 HKAAMO O=C(c1ccccc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000037587923 559255500 /nfs/dbraw/zinc/25/55/00/559255500.db2.gz UUDXRCDZVBEJDT-UHFFFAOYSA-N 1 1 424.466 5.415 50 0 HKAAMO COc1ccc(N(C(=O)CC(C)C)C2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1 ZINC000037587932 568538139 /nfs/dbraw/zinc/53/81/39/568538139.db2.gz SCFWIKCEGXNRHE-UHFFFAOYSA-N 1 1 416.512 5.017 50 0 HKAAMO Cc1cc([C@@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545868 568999732 /nfs/dbraw/zinc/99/97/32/568999732.db2.gz JQGKYPMNITWLNV-HXUWFJFHSA-N 1 1 414.958 6.131 50 0 HKAAMO Cc1cc([C@H](c2ccc(Cl)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545869 568999724 /nfs/dbraw/zinc/99/97/24/568999724.db2.gz JQGKYPMNITWLNV-FQEVSTJZSA-N 1 1 414.958 6.131 50 0 HKAAMO Cc1cc([C@@H](c2cccc(Cl)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545870 568999695 /nfs/dbraw/zinc/99/96/95/568999695.db2.gz VBRBCVVIMUMKCF-HXUWFJFHSA-N 1 1 414.958 6.131 50 0 HKAAMO Cc1cc([C@H](c2cccc(Cl)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545871 568999789 /nfs/dbraw/zinc/99/97/89/568999789.db2.gz VBRBCVVIMUMKCF-FQEVSTJZSA-N 1 1 414.958 6.131 50 0 HKAAMO Cc1cc([C@@H](c2ccccc2Cl)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545872 568999740 /nfs/dbraw/zinc/99/97/40/568999740.db2.gz ROYVDFZUKWWNGP-HXUWFJFHSA-N 1 1 414.958 6.131 50 0 HKAAMO Cc1cc([C@H](c2ccccc2Cl)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038545873 568999817 /nfs/dbraw/zinc/99/98/17/568999817.db2.gz ROYVDFZUKWWNGP-FQEVSTJZSA-N 1 1 414.958 6.131 50 0 HKAAMO CCc1cc([C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546109 569000019 /nfs/dbraw/zinc/00/00/19/569000019.db2.gz DSRLUNUAZDOHMA-OAQYLSRUSA-N 1 1 412.530 5.870 50 0 HKAAMO CCc1cc([C@H](c2ccc(F)cc2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546110 568999966 /nfs/dbraw/zinc/99/99/66/568999966.db2.gz DSRLUNUAZDOHMA-NRFANRHFSA-N 1 1 412.530 5.870 50 0 HKAAMO CCc1cc([C@@H](c2cccc(F)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546111 568999976 /nfs/dbraw/zinc/99/99/76/568999976.db2.gz BBGVVTQKLDUMKI-OAQYLSRUSA-N 1 1 412.530 5.870 50 0 HKAAMO CCc1cc([C@H](c2cccc(F)c2)[NH+]2CCCCC2)c(NC(=O)c2ccco2)s1 ZINC000038546112 569000004 /nfs/dbraw/zinc/00/00/04/569000004.db2.gz BBGVVTQKLDUMKI-NRFANRHFSA-N 1 1 412.530 5.870 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546892 558812898 /nfs/dbraw/zinc/81/28/98/558812898.db2.gz NLKWZMHOUXXPAB-NRFANRHFSA-N 1 1 403.507 5.807 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546893 558812828 /nfs/dbraw/zinc/81/28/28/558812828.db2.gz NLKWZMHOUXXPAB-OAQYLSRUSA-N 1 1 403.507 5.807 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546894 558812902 /nfs/dbraw/zinc/81/29/02/558812902.db2.gz DPDUQOHFGPJKTR-NRFANRHFSA-N 1 1 403.507 5.807 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038546895 558812874 /nfs/dbraw/zinc/81/28/74/558812874.db2.gz DPDUQOHFGPJKTR-OAQYLSRUSA-N 1 1 403.507 5.807 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546965 558812870 /nfs/dbraw/zinc/81/28/70/558812870.db2.gz OVYPVIWUBIALHS-NRFANRHFSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546967 558812817 /nfs/dbraw/zinc/81/28/17/558812817.db2.gz OVYPVIWUBIALHS-OAQYLSRUSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546969 558812855 /nfs/dbraw/zinc/81/28/55/558812855.db2.gz KZHVFBXRAYCFDY-NRFANRHFSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1 ZINC000038546970 558812890 /nfs/dbraw/zinc/81/28/90/558812890.db2.gz KZHVFBXRAYCFDY-OAQYLSRUSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038546975 558812851 /nfs/dbraw/zinc/81/28/51/558812851.db2.gz GMWFGSJZBROQTD-NRFANRHFSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038546977 558812866 /nfs/dbraw/zinc/81/28/66/558812866.db2.gz GMWFGSJZBROQTD-OAQYLSRUSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038546979 558812796 /nfs/dbraw/zinc/81/27/96/558812796.db2.gz IJZTWIPTPCMBJW-NRFANRHFSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccc(F)c2)c(NC(=O)c2ccco2)s1 ZINC000038546980 558812847 /nfs/dbraw/zinc/81/28/47/558812847.db2.gz IJZTWIPTPCMBJW-OAQYLSRUSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038546983 558813068 /nfs/dbraw/zinc/81/30/68/558813068.db2.gz VPDUUZIIIHCQNM-NRFANRHFSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038546985 558813015 /nfs/dbraw/zinc/81/30/15/558813015.db2.gz VPDUUZIIIHCQNM-OAQYLSRUSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038546986 558812988 /nfs/dbraw/zinc/81/29/88/558812988.db2.gz CHXSIHJQODYCPE-NRFANRHFSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccc2F)c(NC(=O)c2ccco2)s1 ZINC000038546987 558813029 /nfs/dbraw/zinc/81/30/29/558813029.db2.gz CHXSIHJQODYCPE-OAQYLSRUSA-N 1 1 421.497 5.946 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038546988 558813001 /nfs/dbraw/zinc/81/30/01/558813001.db2.gz XDEMRHOQLZUYMR-HXUWFJFHSA-N 1 1 404.495 5.202 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038546989 558813017 /nfs/dbraw/zinc/81/30/17/558813017.db2.gz XDEMRHOQLZUYMR-FQEVSTJZSA-N 1 1 404.495 5.202 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038546990 558813072 /nfs/dbraw/zinc/81/30/72/558813072.db2.gz RJQSBSUUAQPKNZ-HXUWFJFHSA-N 1 1 404.495 5.202 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038546991 558813037 /nfs/dbraw/zinc/81/30/37/558813037.db2.gz RJQSBSUUAQPKNZ-FQEVSTJZSA-N 1 1 404.495 5.202 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccnc2)c(NC(=O)c2ccco2)s1 ZINC000038546994 558813034 /nfs/dbraw/zinc/81/30/34/558813034.db2.gz VHSJUCMGYCYVQJ-FQEVSTJZSA-N 1 1 404.495 5.202 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccnc2)c(NC(=O)c2ccco2)s1 ZINC000038546995 558813027 /nfs/dbraw/zinc/81/30/27/558813027.db2.gz VHSJUCMGYCYVQJ-HXUWFJFHSA-N 1 1 404.495 5.202 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547004 558813025 /nfs/dbraw/zinc/81/30/25/558813025.db2.gz JXTSYWBVQYLCLE-QFIPXVFZSA-N 1 1 417.534 6.115 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547005 558812997 /nfs/dbraw/zinc/81/29/97/558812997.db2.gz JXTSYWBVQYLCLE-JOCHJYFZSA-N 1 1 417.534 6.115 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547006 558813064 /nfs/dbraw/zinc/81/30/64/558813064.db2.gz WMMKZMWZIFAUTE-QFIPXVFZSA-N 1 1 417.534 6.115 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccc(C)cc2)c(NC(=O)c2ccco2)s1 ZINC000038547007 558813023 /nfs/dbraw/zinc/81/30/23/558813023.db2.gz WMMKZMWZIFAUTE-JOCHJYFZSA-N 1 1 417.534 6.115 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547024 558813045 /nfs/dbraw/zinc/81/30/45/558813045.db2.gz HHFRUXAIYBFRNJ-LJQANCHMSA-N 1 1 409.536 5.868 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547025 558812984 /nfs/dbraw/zinc/81/29/84/558812984.db2.gz HHFRUXAIYBFRNJ-IBGZPJMESA-N 1 1 409.536 5.868 50 0 HKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547090 569000558 /nfs/dbraw/zinc/00/05/58/569000558.db2.gz YFKSVNVBXHVHHZ-JOCHJYFZSA-N 1 1 417.534 6.061 50 0 HKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547091 569000492 /nfs/dbraw/zinc/00/04/92/569000492.db2.gz YFKSVNVBXHVHHZ-QFIPXVFZSA-N 1 1 417.534 6.061 50 0 HKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547092 569000483 /nfs/dbraw/zinc/00/04/83/569000483.db2.gz OIUPIBKYNWIRKE-JOCHJYFZSA-N 1 1 417.534 6.061 50 0 HKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2)c(NC(=O)c2ccco2)s1 ZINC000038547093 569000530 /nfs/dbraw/zinc/00/05/30/569000530.db2.gz OIUPIBKYNWIRKE-QFIPXVFZSA-N 1 1 417.534 6.061 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c1C ZINC000038547541 569000461 /nfs/dbraw/zinc/00/04/61/569000461.db2.gz ZFMDCDXTACGVNK-QFIPXVFZSA-N 1 1 417.534 6.115 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccccc2)c1C ZINC000038547542 569000524 /nfs/dbraw/zinc/00/05/24/569000524.db2.gz ZFMDCDXTACGVNK-JOCHJYFZSA-N 1 1 417.534 6.115 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccccc2)c1C ZINC000038547543 569000498 /nfs/dbraw/zinc/00/04/98/569000498.db2.gz PYXVFDPIICNRMR-QFIPXVFZSA-N 1 1 417.534 6.115 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccccc2)c1C ZINC000038547544 569000442 /nfs/dbraw/zinc/00/04/42/569000442.db2.gz PYXVFDPIICNRMR-JOCHJYFZSA-N 1 1 417.534 6.115 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c1C ZINC000038547603 569000400 /nfs/dbraw/zinc/00/04/00/569000400.db2.gz XOALMDHHYRVDFW-NRFANRHFSA-N 1 1 418.522 5.510 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c1C ZINC000038547605 569000473 /nfs/dbraw/zinc/00/04/73/569000473.db2.gz XOALMDHHYRVDFW-OAQYLSRUSA-N 1 1 418.522 5.510 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2cccnc2)c1C ZINC000038547614 569000451 /nfs/dbraw/zinc/00/04/51/569000451.db2.gz QUOLBZMQNXWTFE-NRFANRHFSA-N 1 1 418.522 5.510 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2cccnc2)c1C ZINC000038547616 569000363 /nfs/dbraw/zinc/00/03/63/569000363.db2.gz QUOLBZMQNXWTFE-OAQYLSRUSA-N 1 1 418.522 5.510 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2cccs2)c1C ZINC000038547724 569000488 /nfs/dbraw/zinc/00/04/88/569000488.db2.gz XMDXVEJZBZGUDW-FQEVSTJZSA-N 1 1 423.563 6.177 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2cccs2)c1C ZINC000038547726 569000410 /nfs/dbraw/zinc/00/04/10/569000410.db2.gz XMDXVEJZBZGUDW-HXUWFJFHSA-N 1 1 423.563 6.177 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2cccs2)c1C ZINC000038547728 569000397 /nfs/dbraw/zinc/00/03/97/569000397.db2.gz BHNIIZWRGMYNNR-FQEVSTJZSA-N 1 1 423.563 6.177 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2cccs2)c1C ZINC000038547731 569000478 /nfs/dbraw/zinc/00/04/78/569000478.db2.gz BHNIIZWRGMYNNR-HXUWFJFHSA-N 1 1 423.563 6.177 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c1C ZINC000038547736 569000540 /nfs/dbraw/zinc/00/05/40/569000540.db2.gz VHZJMQVEBGIOAD-FQEVSTJZSA-N 1 1 423.563 6.177 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c1C ZINC000038547738 569000527 /nfs/dbraw/zinc/00/05/27/569000527.db2.gz VHZJMQVEBGIOAD-HXUWFJFHSA-N 1 1 423.563 6.177 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2cccc(C)[nH+]2)c2ccsc2)c1C ZINC000038547740 569000598 /nfs/dbraw/zinc/00/05/98/569000598.db2.gz HTYQZPMEHKFRRO-FQEVSTJZSA-N 1 1 423.563 6.177 50 0 HKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2cccc(C)[nH+]2)c2ccsc2)c1C ZINC000038547741 569000747 /nfs/dbraw/zinc/00/07/47/569000747.db2.gz HTYQZPMEHKFRRO-HXUWFJFHSA-N 1 1 423.563 6.177 50 0 HKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038547806 569000716 /nfs/dbraw/zinc/00/07/16/569000716.db2.gz UEDAXMFNWRXURQ-NRFANRHFSA-N 1 1 418.522 5.456 50 0 HKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038547808 569000664 /nfs/dbraw/zinc/00/06/64/569000664.db2.gz UEDAXMFNWRXURQ-OAQYLSRUSA-N 1 1 418.522 5.456 50 0 HKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccccn2)c(NC(=O)c2ccco2)s1 ZINC000038547810 569000712 /nfs/dbraw/zinc/00/07/12/569000712.db2.gz 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CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547938 569000588 /nfs/dbraw/zinc/00/05/88/569000588.db2.gz JNABFVKLMGPRQI-FQEVSTJZSA-N 1 1 423.563 6.122 50 0 HKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547939 569000673 /nfs/dbraw/zinc/00/06/73/569000673.db2.gz JNABFVKLMGPRQI-HXUWFJFHSA-N 1 1 423.563 6.122 50 0 HKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547940 569000641 /nfs/dbraw/zinc/00/06/41/569000641.db2.gz AJOZENQEQPKDEX-FQEVSTJZSA-N 1 1 423.563 6.122 50 0 HKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccs2)c(NC(=O)c2ccco2)s1 ZINC000038547941 569000605 /nfs/dbraw/zinc/00/06/05/569000605.db2.gz AJOZENQEQPKDEX-HXUWFJFHSA-N 1 1 423.563 6.122 50 0 HKAAMO CCc1cc([C@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000038547944 569000601 /nfs/dbraw/zinc/00/06/01/569000601.db2.gz VTDYUOJWCXLOBR-HXUWFJFHSA-N 1 1 423.563 6.122 50 0 HKAAMO CCc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000038547945 569000593 /nfs/dbraw/zinc/00/05/93/569000593.db2.gz VTDYUOJWCXLOBR-FQEVSTJZSA-N 1 1 423.563 6.122 50 0 HKAAMO CCc1cc([C@H](Nc2cccc(C)[nH+]2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000038547946 569000677 /nfs/dbraw/zinc/00/06/77/569000677.db2.gz KABOKZZPXWQGKF-HXUWFJFHSA-N 1 1 423.563 6.122 50 0 HKAAMO CCc1cc([C@@H](Nc2cccc(C)[nH+]2)c2ccsc2)c(NC(=O)c2ccco2)s1 ZINC000038547947 569000583 /nfs/dbraw/zinc/00/05/83/569000583.db2.gz KABOKZZPXWQGKF-FQEVSTJZSA-N 1 1 423.563 6.122 50 0 HKAAMO O=C(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1(c2ccccc2)CCCC1 ZINC000038548694 558813019 /nfs/dbraw/zinc/81/30/19/558813019.db2.gz OALWJPCWSKIPRQ-UHFFFAOYSA-N 1 1 424.588 5.432 50 0 HKAAMO Cc1cc([C@@H](Nc2cc(C)cc[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038551035 558813059 /nfs/dbraw/zinc/81/30/59/558813059.db2.gz QWDQDPFDWMNDSO-OAQYLSRUSA-N 1 1 419.575 6.275 50 0 HKAAMO Cc1cc([C@H](Nc2cc(C)cc[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038551036 558813011 /nfs/dbraw/zinc/81/30/11/558813011.db2.gz QWDQDPFDWMNDSO-NRFANRHFSA-N 1 1 419.575 6.275 50 0 HKAAMO Cc1cc([C@@H](Nc2cccc(C)[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038551037 558812993 /nfs/dbraw/zinc/81/29/93/558812993.db2.gz IJHYZXJNZJPCHG-OAQYLSRUSA-N 1 1 419.575 6.275 50 0 HKAAMO Cc1cc([C@H](Nc2cccc(C)[nH+]2)c2cccs2)c(NC(=O)c2ccccc2)s1 ZINC000038551038 558813031 /nfs/dbraw/zinc/81/30/31/558813031.db2.gz IJHYZXJNZJPCHG-NRFANRHFSA-N 1 1 419.575 6.275 50 0 HKAAMO C[N@H+]1CCC[C@@H]1Cc1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12 ZINC000038628744 569358088 /nfs/dbraw/zinc/35/80/88/569358088.db2.gz UXUFUAYZSLSBDA-RUZDIDTESA-N 1 1 409.577 6.011 50 0 HKAAMO Clc1ccc(C[NH+]2CCC(Sc3ccc4ccccc4n3)CC2)c(Cl)c1 ZINC000039010823 569012893 /nfs/dbraw/zinc/01/28/93/569012893.db2.gz VWNBOONFKJYZEB-UHFFFAOYSA-N 1 1 403.378 6.298 50 0 HKAAMO COc1ccc(CNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 ZINC000039404160 571132151 /nfs/dbraw/zinc/13/21/51/571132151.db2.gz ADUXPPLJGJCEFO-UHFFFAOYSA-N 1 1 420.516 6.017 50 0 HKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2NCc1cccnc1 ZINC000039404163 571132135 /nfs/dbraw/zinc/13/21/35/571132135.db2.gz KCJZLPGJBMLQID-UHFFFAOYSA-N 1 1 407.477 5.103 50 0 HKAAMO CC[C@@H](C)C[N@H+]1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2C)C1 ZINC000039420780 571132117 /nfs/dbraw/zinc/13/21/17/571132117.db2.gz JADHVJMOVYSPGN-KNQAVFIVSA-N 1 1 400.570 5.740 50 0 HKAAMO CC[C@H](C)C[N@H+]1CCC[C@H](c2nc(-c3ccncc3)ncc2-c2ccccc2C)C1 ZINC000039420781 571131995 /nfs/dbraw/zinc/13/19/95/571131995.db2.gz JADHVJMOVYSPGN-UGKGYDQZSA-N 1 1 400.570 5.740 50 0 HKAAMO Cc1ccccc1N1CCC([N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000039515272 558822007 /nfs/dbraw/zinc/82/20/07/558822007.db2.gz QBDXBWYVKHVUEM-OAQYLSRUSA-N 1 1 423.576 5.234 50 0 HKAAMO Cc1ccccc1N1CCC([N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000039515273 558822029 /nfs/dbraw/zinc/82/20/29/558822029.db2.gz QBDXBWYVKHVUEM-NRFANRHFSA-N 1 1 423.576 5.234 50 0 HKAAMO Cc1ccc(-c2nn(C[NH2+][C@@H](c3cccs3)C(C)(C)C)c(=O)c3ccccc32)cc1 ZINC000039563677 571133420 /nfs/dbraw/zinc/13/34/20/571133420.db2.gz 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O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000040020171 571139411 /nfs/dbraw/zinc/13/94/11/571139411.db2.gz QSQXFUFQUDWOAV-XMMPIXPASA-N 1 1 420.603 5.073 50 0 HKAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000040020171 571139413 /nfs/dbraw/zinc/13/94/13/571139413.db2.gz QSQXFUFQUDWOAV-XMMPIXPASA-N 1 1 420.603 5.073 50 0 HKAAMO O=C(C[N@H+]1CC=C(c2ccccc2)CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000040020173 571139368 /nfs/dbraw/zinc/13/93/68/571139368.db2.gz QSQXFUFQUDWOAV-DEOSSOPVSA-N 1 1 420.603 5.073 50 0 HKAAMO O=C(C[N@@H+]1CC=C(c2ccccc2)CC1)N1CCc2sccc2[C@H]1c1cccs1 ZINC000040020173 571139370 /nfs/dbraw/zinc/13/93/70/571139370.db2.gz QSQXFUFQUDWOAV-DEOSSOPVSA-N 1 1 420.603 5.073 50 0 HKAAMO Cc1nn(-c2ccccc2Cl)c(Cl)c1C[NH2+]Cc1ccccc1OC(F)F ZINC000040039054 571142015 /nfs/dbraw/zinc/14/20/15/571142015.db2.gz YBLANLPXBLSSIK-UHFFFAOYSA-N 1 1 412.267 5.379 50 0 HKAAMO C[N@@H+](Cc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000040039648 571141995 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ZINC000040155012 571202313 /nfs/dbraw/zinc/20/23/13/571202313.db2.gz DMUXCQPDJSKHDX-UHFFFAOYSA-N 1 1 417.868 5.023 50 0 HKAAMO COC(=O)c1ccccc1C[N@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000040382430 522260348 /nfs/dbraw/zinc/26/03/48/522260348.db2.gz XKLIHGBKDQPUKU-UHFFFAOYSA-N 1 1 404.554 5.290 50 0 HKAAMO CCOc1ccc(C[N@@H+](C)CCCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 ZINC000040461098 520961841 /nfs/dbraw/zinc/96/18/41/520961841.db2.gz UCMAEESDNSSZSZ-UHFFFAOYSA-N 1 1 409.357 5.551 50 0 HKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2cccs2)c1 ZINC000041098040 524139576 /nfs/dbraw/zinc/13/95/76/524139576.db2.gz MAPOQJBHQUDZGQ-UHFFFAOYSA-N 1 1 410.546 6.112 50 0 HKAAMO COCc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000042942786 522974310 /nfs/dbraw/zinc/97/43/10/522974310.db2.gz NTWHGLFSMIMOSI-INIZCTEOSA-N 1 1 419.447 5.215 50 0 HKAAMO COCc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc(C(F)(F)F)c3)C2)o1 ZINC000042942789 522974387 /nfs/dbraw/zinc/97/43/87/522974387.db2.gz NTWHGLFSMIMOSI-MRXNPFEDSA-N 1 1 419.447 5.215 50 0 HKAAMO CCn1c2ccccc2c2cc(CN3CC[N@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc21 ZINC000043028061 523274652 /nfs/dbraw/zinc/27/46/52/523274652.db2.gz CCPMAALZHMJSHK-IZLXSDGUSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCN4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc21 ZINC000043028061 523274661 /nfs/dbraw/zinc/27/46/61/523274661.db2.gz CCPMAALZHMJSHK-IZLXSDGUSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCN4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc21 ZINC000043028061 523274673 /nfs/dbraw/zinc/27/46/73/523274673.db2.gz CCPMAALZHMJSHK-IZLXSDGUSA-N 1 1 415.625 6.043 50 0 HKAAMO COCc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3cccc4ccccc43)C2)o1 ZINC000043056932 522972522 /nfs/dbraw/zinc/97/25/22/522972522.db2.gz VGYKSUKVTWOMQW-IBGZPJMESA-N 1 1 401.510 5.349 50 0 HKAAMO COCc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3cccc4ccccc43)C2)o1 ZINC000043056933 522974024 /nfs/dbraw/zinc/97/40/24/522974024.db2.gz VGYKSUKVTWOMQW-LJQANCHMSA-N 1 1 401.510 5.349 50 0 HKAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043125014 519716301 /nfs/dbraw/zinc/71/63/01/519716301.db2.gz WZGGIBXBPNKAGJ-IBGZPJMESA-N 1 1 408.933 5.068 50 0 HKAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043125016 519716512 /nfs/dbraw/zinc/71/65/12/519716512.db2.gz WZGGIBXBPNKAGJ-LJQANCHMSA-N 1 1 408.933 5.068 50 0 HKAAMO Cc1cc(C)cc([C@@H]2CCC[N@H+]2Cc2ccc(Oc3ccc(C(N)=O)cc3F)cc2)c1 ZINC000043206677 569014187 /nfs/dbraw/zinc/01/41/87/569014187.db2.gz ZHPMYDSXGRRERG-DEOSSOPVSA-N 1 1 418.512 5.671 50 0 investigational HKAAMO CC(C)(C)[C@@H](C(=O)OCc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000043763651 569012926 /nfs/dbraw/zinc/01/29/26/569012926.db2.gz UPNNOJXTORMLJQ-RUZDIDTESA-N 1 1 401.550 5.847 50 0 HKAAMO CC[C@H](C)[C@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000043766932 559049482 /nfs/dbraw/zinc/04/94/82/559049482.db2.gz XGBOXQUTPFMYLI-NVQXNPDNSA-N 1 1 423.560 5.520 50 0 HKAAMO Cc1ccc2nc(C[N@H+](Cc3ccccc3)Cc3ccc(C(C)C)cc3)cc(=O)n2c1 ZINC000045974136 568422781 /nfs/dbraw/zinc/42/27/81/568422781.db2.gz XJCYTQYADGQYHG-UHFFFAOYSA-N 1 1 411.549 5.329 50 0 HKAAMO Cc1ccc(C[N@@H+](Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)CC(C)C)cc1 ZINC000046032326 568424698 /nfs/dbraw/zinc/42/46/98/568424698.db2.gz ADQSHYRBDBVWKO-UHFFFAOYSA-N 1 1 424.614 5.165 50 0 HKAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@H](C)O1 ZINC000046435209 559133881 /nfs/dbraw/zinc/13/38/81/559133881.db2.gz DXQLGKZXOVYVCU-HDICACEKSA-N 1 1 406.551 5.277 50 0 HKAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@H](C)O1 ZINC000046435209 559133883 /nfs/dbraw/zinc/13/38/83/559133883.db2.gz DXQLGKZXOVYVCU-HDICACEKSA-N 1 1 406.551 5.277 50 0 HKAAMO C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@H](C)O1 ZINC000046435210 559133862 /nfs/dbraw/zinc/13/38/62/559133862.db2.gz DXQLGKZXOVYVCU-ROUUACIJSA-N 1 1 406.551 5.277 50 0 HKAAMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@@H](C)O1 ZINC000046435211 559133874 /nfs/dbraw/zinc/13/38/74/559133874.db2.gz DXQLGKZXOVYVCU-QZTJIDSGSA-N 1 1 406.551 5.277 50 0 HKAAMO Cc1sc2nc(-c3cccs3)nc(N3CCC([N@H+](C)C(C)C)CC3)c2c1C ZINC000048261558 568433741 /nfs/dbraw/zinc/43/37/41/568433741.db2.gz OXRXHRXUFBZMCK-UHFFFAOYSA-N 1 1 400.617 5.346 50 0 HKAAMO Brc1ccccc1-c1nnc(C[N@H+](Cc2ccco2)C2CCCC2)o1 ZINC000048286888 568434541 /nfs/dbraw/zinc/43/45/41/568434541.db2.gz ZNMPOGFWJXPCJQ-UHFFFAOYSA-N 1 1 402.292 5.037 50 0 HKAAMO Brc1ccccc1-c1nnc(C[N@@H+](Cc2ccco2)C2CCCC2)o1 ZINC000048286888 568434542 /nfs/dbraw/zinc/43/45/42/568434542.db2.gz ZNMPOGFWJXPCJQ-UHFFFAOYSA-N 1 1 402.292 5.037 50 0 HKAAMO CCc1cccc(C)c1NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000048290752 568435219 /nfs/dbraw/zinc/43/52/19/568435219.db2.gz RWZFDIABJLCWRU-UHFFFAOYSA-N 1 1 402.538 5.207 50 0 HKAAMO CCc1cccc(C)c1NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000048290752 568435221 /nfs/dbraw/zinc/43/52/21/568435221.db2.gz RWZFDIABJLCWRU-UHFFFAOYSA-N 1 1 402.538 5.207 50 0 HKAAMO C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1OC(F)(F)F ZINC000048291018 568435333 /nfs/dbraw/zinc/43/53/33/568435333.db2.gz YQOGYTYVCIWCMS-UHFFFAOYSA-N 1 1 402.416 5.191 50 0 HKAAMO C[N@@H+](Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1)C1CCCCC1 ZINC000048308950 568436444 /nfs/dbraw/zinc/43/64/44/568436444.db2.gz RVFHDQRLVDCVLU-UHFFFAOYSA-N 1 1 400.526 5.160 50 0 HKAAMO CCOC(=O)CC1=CC(SCc2ccc(OC)c(F)c2)=[NH+]c2ccccc2N1 ZINC000049421646 568450684 /nfs/dbraw/zinc/45/06/84/568450684.db2.gz JCJXMOKOOARKKM-UHFFFAOYSA-N 1 1 400.475 5.060 50 0 HKAAMO Cc1ccc([C@@H](C(=O)NC2CCCC2)[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629696 568452729 /nfs/dbraw/zinc/45/27/29/568452729.db2.gz OZWZAEBQEOBZHW-MHZLTWQESA-N 1 1 412.577 5.797 50 0 HKAAMO Cc1ccc([C@H](C(=O)NC2CCCC2)[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000049629699 568452686 /nfs/dbraw/zinc/45/26/86/568452686.db2.gz OZWZAEBQEOBZHW-HHHXNRCGSA-N 1 1 412.577 5.797 50 0 HKAAMO O=C(NC1CCCCC1)[C@H](c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000049629714 568452674 /nfs/dbraw/zinc/45/26/74/568452674.db2.gz BJYOFRCZPLIQCS-MHZLTWQESA-N 1 1 412.577 5.879 50 0 HKAAMO O=C(NC1CCCCC1)[C@@H](c1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000049629716 568452711 /nfs/dbraw/zinc/45/27/11/568452711.db2.gz BJYOFRCZPLIQCS-HHHXNRCGSA-N 1 1 412.577 5.879 50 0 HKAAMO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000052530368 568769563 /nfs/dbraw/zinc/76/95/63/568769563.db2.gz GUAHHIHOYRGRSC-VABKMULXSA-N 1 1 403.909 5.325 50 0 HKAAMO C[N@H+]1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000052530368 568769564 /nfs/dbraw/zinc/76/95/64/568769564.db2.gz GUAHHIHOYRGRSC-VABKMULXSA-N 1 1 403.909 5.325 50 0 HKAAMO C[N@@H+]1C[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000052530370 558859885 /nfs/dbraw/zinc/85/98/85/558859885.db2.gz GUAHHIHOYRGRSC-VJBWXMMDSA-N 1 1 403.909 5.325 50 0 HKAAMO C[N@H+]1C[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000052530370 558859891 /nfs/dbraw/zinc/85/98/91/558859891.db2.gz GUAHHIHOYRGRSC-VJBWXMMDSA-N 1 1 403.909 5.325 50 0 HKAAMO CC(C)(C)[C@H]([NH2+]Cc1nc(-c2cc(Br)cs2)no1)c1cccs1 ZINC000052861340 568909656 /nfs/dbraw/zinc/90/96/56/568909656.db2.gz AAYAJVYFDVDMAG-CQSZACIVSA-N 1 1 412.378 5.499 50 0 HKAAMO CC(C)(C)[C@@H]([NH2+]Cc1nc(-c2cc(Br)cs2)no1)c1cccs1 ZINC000052861341 568909625 /nfs/dbraw/zinc/90/96/25/568909625.db2.gz AAYAJVYFDVDMAG-AWEZNQCLSA-N 1 1 412.378 5.499 50 0 HKAAMO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCN(c3ccccc3F)CC2)c1C ZINC000054105767 569057501 /nfs/dbraw/zinc/05/75/01/569057501.db2.gz SZSRMUBYOZZHHM-UHFFFAOYSA-N 1 1 423.557 5.079 50 0 HKAAMO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1C ZINC000054105769 569057523 /nfs/dbraw/zinc/05/75/23/569057523.db2.gz SJYVUQCMFVXLRS-UHFFFAOYSA-N 1 1 423.557 5.079 50 0 HKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC(F)F)cc1)[NH2+]C2 ZINC000054979033 569372954 /nfs/dbraw/zinc/37/29/54/569372954.db2.gz GJGRKIZTUVNDSX-QFIPXVFZSA-N 1 1 414.452 5.069 50 0 HKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC(F)F)cc1)[NH2+]C2 ZINC000054979034 569372962 /nfs/dbraw/zinc/37/29/62/569372962.db2.gz GJGRKIZTUVNDSX-JOCHJYFZSA-N 1 1 414.452 5.069 50 0 HKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(C(F)(F)F)c1)[NH2+]C2 ZINC000055028088 569375847 /nfs/dbraw/zinc/37/58/47/569375847.db2.gz CQOBAAMBTUVMNK-QFIPXVFZSA-N 1 1 416.443 5.486 50 0 HKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cccc(C(F)(F)F)c1)[NH2+]C2 ZINC000055028089 569375803 /nfs/dbraw/zinc/37/58/03/569375803.db2.gz CQOBAAMBTUVMNK-JOCHJYFZSA-N 1 1 416.443 5.486 50 0 HKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(C(F)(F)F)cc1)[NH2+]C2 ZINC000055028119 569375766 /nfs/dbraw/zinc/37/57/66/569375766.db2.gz GEUWHJBCIBWOJZ-QFIPXVFZSA-N 1 1 416.443 5.486 50 0 HKAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(C(F)(F)F)cc1)[NH2+]C2 ZINC000055028120 569375744 /nfs/dbraw/zinc/37/57/44/569375744.db2.gz GEUWHJBCIBWOJZ-JOCHJYFZSA-N 1 1 416.443 5.486 50 0 HKAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2cccc(C)c2)C3)c1OC ZINC000055036398 569376300 /nfs/dbraw/zinc/37/63/00/569376300.db2.gz VSBYFMMCCCYGAQ-UHFFFAOYSA-N 1 1 419.521 5.082 50 0 HKAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3ccc(Cl)cc3)nc2)cnn1-c1ccccc1 ZINC000055042196 558870430 /nfs/dbraw/zinc/87/04/30/558870430.db2.gz FJRONZTTXBYDCB-MRXNPFEDSA-N 1 1 403.917 5.142 50 0 HKAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3ccc(Cl)cc3)nc2)cnn1-c1ccccc1 ZINC000055042197 558870376 /nfs/dbraw/zinc/87/03/76/558870376.db2.gz FJRONZTTXBYDCB-INIZCTEOSA-N 1 1 403.917 5.142 50 0 HKAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@@H](C)c1ccccc1Cl ZINC000055054595 558870824 /nfs/dbraw/zinc/87/08/24/558870824.db2.gz HRZPZFUQOUSERO-SFHVURJKSA-N 1 1 424.976 5.163 50 0 HKAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+][C@H](C)c1ccccc1Cl ZINC000055054598 558870843 /nfs/dbraw/zinc/87/08/43/558870843.db2.gz HRZPZFUQOUSERO-GOSISDBHSA-N 1 1 424.976 5.163 50 0 HKAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](CC)CC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000055057211 569380767 /nfs/dbraw/zinc/38/07/67/569380767.db2.gz SQDUAGQPHAUEHU-UHFFFAOYSA-N 1 1 421.972 5.204 50 0 HKAAMO Cc1nn(C(C)C)c(C)c1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000055060518 558871212 /nfs/dbraw/zinc/87/12/12/558871212.db2.gz VJHQCCNYALSKLM-UHFFFAOYSA-N 1 1 423.649 5.133 50 0 HKAAMO O=C(CC[C@H]1CCC[N@@H+](C/C(Cl)=C/c2ccccc2)C1)Nc1ccccc1F ZINC000055060815 569381467 /nfs/dbraw/zinc/38/14/67/569381467.db2.gz HPCXJOYWXBVNGV-GCFJHJGGSA-N 1 1 400.925 5.536 50 0 HKAAMO O=C(CC[C@@H]1CCC[N@@H+](C/C(Cl)=C/c2ccccc2)C1)Nc1ccccc1F ZINC000055060816 569381380 /nfs/dbraw/zinc/38/13/80/569381380.db2.gz HPCXJOYWXBVNGV-RVPSJEOCSA-N 1 1 400.925 5.536 50 0 HKAAMO COc1ccc(-c2nc(C[NH+]3CCN(c4ccccc4)CC3)c(C)o2)c2ccccc12 ZINC000055071820 569385587 /nfs/dbraw/zinc/38/55/87/569385587.db2.gz UEDWQEUVVWTXHV-UHFFFAOYSA-N 1 1 413.521 5.134 50 0 HKAAMO CC[N@@H+](Cc1cccc2cccnc21)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055088200 558871715 /nfs/dbraw/zinc/87/17/15/558871715.db2.gz OFCIMLLGJKIIDU-QHCPKHFHSA-N 1 1 417.597 5.020 50 0 HKAAMO CC[N@H+](Cc1cccc2cccnc21)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055088200 558871716 /nfs/dbraw/zinc/87/17/16/558871716.db2.gz OFCIMLLGJKIIDU-QHCPKHFHSA-N 1 1 417.597 5.020 50 0 HKAAMO CC[N@@H+](Cc1cccc2cccnc21)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055088205 558871691 /nfs/dbraw/zinc/87/16/91/558871691.db2.gz OFCIMLLGJKIIDU-HSZRJFAPSA-N 1 1 417.597 5.020 50 0 HKAAMO CC[N@H+](Cc1cccc2cccnc21)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055088205 558871693 /nfs/dbraw/zinc/87/16/93/558871693.db2.gz OFCIMLLGJKIIDU-HSZRJFAPSA-N 1 1 417.597 5.020 50 0 HKAAMO Cc1cc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc(C)c1O ZINC000055090221 558872049 /nfs/dbraw/zinc/87/20/49/558872049.db2.gz ZOYARJMEJSWOLV-DEOSSOPVSA-N 1 1 421.629 5.451 50 0 HKAAMO Cc1cc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)cc(C)c1O ZINC000055090224 558872001 /nfs/dbraw/zinc/87/20/01/558872001.db2.gz ZOYARJMEJSWOLV-XMMPIXPASA-N 1 1 421.629 5.451 50 0 HKAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3cccc4ccccc43)nc2)cnn1-c1ccccc1 ZINC000055099448 558872332 /nfs/dbraw/zinc/87/23/32/558872332.db2.gz PTDNNPQULRHUMJ-LJQANCHMSA-N 1 1 419.532 5.642 50 0 HKAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3cccc4ccccc43)nc2)cnn1-c1ccccc1 ZINC000055099451 558872408 /nfs/dbraw/zinc/87/24/08/558872408.db2.gz PTDNNPQULRHUMJ-IBGZPJMESA-N 1 1 419.532 5.642 50 0 HKAAMO O=C(c1ccccc1OC1CC[NH+](Cc2ccc(Cl)s2)CC1)N1CCCCC1 ZINC000055119024 558873059 /nfs/dbraw/zinc/87/30/59/558873059.db2.gz UBULDDQVNUZSRB-UHFFFAOYSA-N 1 1 418.990 5.071 50 0 HKAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000055132667 558873430 /nfs/dbraw/zinc/87/34/30/558873430.db2.gz WNRWQDPQPRGMOA-NRFANRHFSA-N 1 1 417.578 5.269 50 0 HKAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000055132667 558873432 /nfs/dbraw/zinc/87/34/32/558873432.db2.gz WNRWQDPQPRGMOA-NRFANRHFSA-N 1 1 417.578 5.269 50 0 HKAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000055132670 558873472 /nfs/dbraw/zinc/87/34/72/558873472.db2.gz WNRWQDPQPRGMOA-OAQYLSRUSA-N 1 1 417.578 5.269 50 0 HKAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(-c3cccc(C)c3)nc2)C1 ZINC000055132670 558873474 /nfs/dbraw/zinc/87/34/74/558873474.db2.gz WNRWQDPQPRGMOA-OAQYLSRUSA-N 1 1 417.578 5.269 50 0 HKAAMO Cc1ccsc1C[N@H+](Cc1cccc(Oc2ncccn2)c1)Cc1ccccn1 ZINC000055226878 558876736 /nfs/dbraw/zinc/87/67/36/558876736.db2.gz BZLXYZQICZRBSP-UHFFFAOYSA-N 1 1 402.523 5.236 50 0 HKAAMO Cc1ccsc1C[N@@H+](Cc1cccc(Oc2ncccn2)c1)Cc1ccccn1 ZINC000055226878 558876739 /nfs/dbraw/zinc/87/67/39/558876739.db2.gz BZLXYZQICZRBSP-UHFFFAOYSA-N 1 1 402.523 5.236 50 0 HKAAMO Fc1ccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC000055244274 558877334 /nfs/dbraw/zinc/87/73/34/558877334.db2.gz SDRUIHVPWJXMGD-NRFANRHFSA-N 1 1 413.556 5.407 50 0 HKAAMO Fc1ccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c(F)c1 ZINC000055244276 558877263 /nfs/dbraw/zinc/87/72/63/558877263.db2.gz SDRUIHVPWJXMGD-OAQYLSRUSA-N 1 1 413.556 5.407 50 0 HKAAMO Clc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)s1 ZINC000055271710 558878420 /nfs/dbraw/zinc/87/84/20/558878420.db2.gz UTEAJGDZWJORIC-UHFFFAOYSA-N 1 1 404.023 5.453 50 0 HKAAMO COc1cc(Br)c(C[N@H+](C)Cc2cccc3ccccc32)cc1OC ZINC000055291816 558878604 /nfs/dbraw/zinc/87/86/04/558878604.db2.gz MZXFOODZTYOSMM-UHFFFAOYSA-N 1 1 400.316 5.252 50 0 HKAAMO COc1cc(Br)c(C[N@@H+](C)Cc2cccc3ccccc32)cc1OC ZINC000055291816 558878609 /nfs/dbraw/zinc/87/86/09/558878609.db2.gz MZXFOODZTYOSMM-UHFFFAOYSA-N 1 1 400.316 5.252 50 0 HKAAMO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1OCc1ccccc1 ZINC000055292266 558878617 /nfs/dbraw/zinc/87/86/17/558878617.db2.gz CQWXYFVWYBTJAF-UHFFFAOYSA-N 1 1 422.956 5.250 50 0 HKAAMO COc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1OCc1ccccc1 ZINC000055292374 558878678 /nfs/dbraw/zinc/87/86/78/558878678.db2.gz WWFRCSNPLQDFDO-UHFFFAOYSA-N 1 1 422.956 5.250 50 0 HKAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3cccc(C)c3)nc2)cnn1-c1ccc(F)cc1F ZINC000055341686 558879333 /nfs/dbraw/zinc/87/93/33/558879333.db2.gz SEIHGKCUJYFWCK-INIZCTEOSA-N 1 1 419.479 5.075 50 0 HKAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3cccc(C)c3)nc2)cnn1-c1ccc(F)cc1F ZINC000055341690 558879311 /nfs/dbraw/zinc/87/93/11/558879311.db2.gz SEIHGKCUJYFWCK-MRXNPFEDSA-N 1 1 419.479 5.075 50 0 HKAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)c(C)o2)c(OC)c1 ZINC000055343176 558879694 /nfs/dbraw/zinc/87/96/94/558879694.db2.gz KADWDPZVYRXRQT-UHFFFAOYSA-N 1 1 420.431 5.318 50 0 HKAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)c(C)o2)c(OC)c1 ZINC000055343176 558879696 /nfs/dbraw/zinc/87/96/96/558879696.db2.gz KADWDPZVYRXRQT-UHFFFAOYSA-N 1 1 420.431 5.318 50 0 HKAAMO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000055359925 558880177 /nfs/dbraw/zinc/88/01/77/558880177.db2.gz OVWLHCTXVBHGQA-FQEVSTJZSA-N 1 1 405.929 5.200 50 0 HKAAMO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000055359925 558880179 /nfs/dbraw/zinc/88/01/79/558880179.db2.gz OVWLHCTXVBHGQA-FQEVSTJZSA-N 1 1 405.929 5.200 50 0 HKAAMO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000055359928 558880182 /nfs/dbraw/zinc/88/01/82/558880182.db2.gz OVWLHCTXVBHGQA-HXUWFJFHSA-N 1 1 405.929 5.200 50 0 HKAAMO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cn1 ZINC000055359928 558880184 /nfs/dbraw/zinc/88/01/84/558880184.db2.gz OVWLHCTXVBHGQA-HXUWFJFHSA-N 1 1 405.929 5.200 50 0 HKAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3ccc(C(F)(F)F)cc3)c(C)o2)cc1 ZINC000055370084 558880441 /nfs/dbraw/zinc/88/04/41/558880441.db2.gz ILMXVHLSLNGYEV-UHFFFAOYSA-N 1 1 418.415 5.087 50 0 HKAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3ccc(C(F)(F)F)cc3)c(C)o2)cc1 ZINC000055370084 558880442 /nfs/dbraw/zinc/88/04/42/558880442.db2.gz ILMXVHLSLNGYEV-UHFFFAOYSA-N 1 1 418.415 5.087 50 0 HKAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1cccnc1 ZINC000055385536 558880809 /nfs/dbraw/zinc/88/08/09/558880809.db2.gz POAFEOCYQYLZDC-UHFFFAOYSA-N 1 1 408.505 5.372 50 0 HKAAMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)Cc1cccnc1 ZINC000055385536 558880810 /nfs/dbraw/zinc/88/08/10/558880810.db2.gz POAFEOCYQYLZDC-UHFFFAOYSA-N 1 1 408.505 5.372 50 0 HKAAMO COc1cc2c(cc1C[NH+]1CCN(c3ccccc3)CC1)oc(C)c2-c1ccccc1 ZINC000055447579 558881297 /nfs/dbraw/zinc/88/12/97/558881297.db2.gz GFDCLMSBUOZIAU-UHFFFAOYSA-N 1 1 412.533 5.739 50 0 HKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc(F)c1 ZINC000055526919 558881830 /nfs/dbraw/zinc/88/18/30/558881830.db2.gz JCFJXYSOMXGRIO-UHFFFAOYSA-N 1 1 423.919 5.054 50 0 HKAAMO CCOc1ccccc1N1CC[NH+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000055543196 558882015 /nfs/dbraw/zinc/88/20/15/558882015.db2.gz IKVYFWSBVUOHFR-UHFFFAOYSA-N 1 1 422.956 5.853 50 0 HKAAMO COc1ccccc1N1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000055543362 558882029 /nfs/dbraw/zinc/88/20/29/558882029.db2.gz VJYTUYXQSCATHG-UHFFFAOYSA-N 1 1 410.602 5.318 50 0 HKAAMO CC(C)(C)c1cc(C[NH+]2CCN(c3ccccc3Cl)CC2)cc(C(C)(C)C)c1O ZINC000055543923 558881991 /nfs/dbraw/zinc/88/19/91/558881991.db2.gz SKOSMEMHSPEXMV-UHFFFAOYSA-N 1 1 415.021 5.963 50 0 HKAAMO CCOc1ccccc1N1CC[NH+](Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000055544049 558882019 /nfs/dbraw/zinc/88/20/19/558882019.db2.gz OCDSODJBMMFMNR-UHFFFAOYSA-N 1 1 424.629 5.708 50 0 HKAAMO C[C@@H](c1ccncn1)[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000055568856 558882894 /nfs/dbraw/zinc/88/28/94/558882894.db2.gz HQKUVOIPKRJNRK-IBGZPJMESA-N 1 1 423.520 5.328 50 0 HKAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000055568856 558882898 /nfs/dbraw/zinc/88/28/98/558882898.db2.gz HQKUVOIPKRJNRK-IBGZPJMESA-N 1 1 423.520 5.328 50 0 HKAAMO C[C@H](c1ccncn1)[N@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000055568857 558882908 /nfs/dbraw/zinc/88/29/08/558882908.db2.gz HQKUVOIPKRJNRK-LJQANCHMSA-N 1 1 423.520 5.328 50 0 HKAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1 ZINC000055568857 558882910 /nfs/dbraw/zinc/88/29/10/558882910.db2.gz HQKUVOIPKRJNRK-LJQANCHMSA-N 1 1 423.520 5.328 50 0 HKAAMO COc1cc(-c2cnc3ccccc3c2)cc2c1OCC[N@H+](Cc1ccc(C)cc1)C2 ZINC000055575548 558883180 /nfs/dbraw/zinc/88/31/80/558883180.db2.gz NOETXIQMDZOJAB-UHFFFAOYSA-N 1 1 410.517 5.613 50 0 HKAAMO COc1cc(-c2cnc3ccccc3c2)cc2c1OCC[N@@H+](Cc1ccc(C)cc1)C2 ZINC000055575548 558883183 /nfs/dbraw/zinc/88/31/83/558883183.db2.gz NOETXIQMDZOJAB-UHFFFAOYSA-N 1 1 410.517 5.613 50 0 HKAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055575971 558883121 /nfs/dbraw/zinc/88/31/21/558883121.db2.gz XSZAUCRPZOGUAM-FQEVSTJZSA-N 1 1 417.578 5.269 50 0 HKAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055575971 558883124 /nfs/dbraw/zinc/88/31/24/558883124.db2.gz XSZAUCRPZOGUAM-FQEVSTJZSA-N 1 1 417.578 5.269 50 0 HKAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055575973 558883195 /nfs/dbraw/zinc/88/31/95/558883195.db2.gz XSZAUCRPZOGUAM-HXUWFJFHSA-N 1 1 417.578 5.269 50 0 HKAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3C)nc2)C1 ZINC000055575973 558883198 /nfs/dbraw/zinc/88/31/98/558883198.db2.gz XSZAUCRPZOGUAM-HXUWFJFHSA-N 1 1 417.578 5.269 50 0 HKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccccc1Cl ZINC000057243091 558887969 /nfs/dbraw/zinc/88/79/69/558887969.db2.gz GECFIDMFKJFFNI-UHFFFAOYSA-N 1 1 423.919 5.054 50 0 HKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000057270644 568825521 /nfs/dbraw/zinc/82/55/21/568825521.db2.gz NNBODUYSYNVXCN-VWLOTQADSA-N 1 1 419.594 5.446 50 0 HKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCCCC2)cc1 ZINC000057270645 568825412 /nfs/dbraw/zinc/82/54/12/568825412.db2.gz NNBODUYSYNVXCN-RUZDIDTESA-N 1 1 419.594 5.446 50 0 HKAAMO CC1CCN(c2ccc(NC(=O)C[NH2+][C@H](c3cccs3)c3ccccc3)cc2)CC1 ZINC000057270646 568825414 /nfs/dbraw/zinc/82/54/14/568825414.db2.gz BLKJYDDRJBPCBA-VWLOTQADSA-N 1 1 419.594 5.302 50 0 HKAAMO CC1CCN(c2ccc(NC(=O)C[NH2+][C@@H](c3cccs3)c3ccccc3)cc2)CC1 ZINC000057270647 568825417 /nfs/dbraw/zinc/82/54/17/568825417.db2.gz BLKJYDDRJBPCBA-RUZDIDTESA-N 1 1 419.594 5.302 50 0 HKAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccc(F)c2)cc1 ZINC000057270662 568825532 /nfs/dbraw/zinc/82/55/32/568825532.db2.gz RPTIDLVECVXBKE-VWLOTQADSA-N 1 1 420.532 5.017 50 0 HKAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccc(F)c2)cc1 ZINC000057270663 568825419 /nfs/dbraw/zinc/82/54/19/568825419.db2.gz RPTIDLVECVXBKE-RUZDIDTESA-N 1 1 420.532 5.017 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000057273680 568825747 /nfs/dbraw/zinc/82/57/47/568825747.db2.gz FOOBTUKRBSHMKG-QFIPXVFZSA-N 1 1 406.551 5.182 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000057273683 568825731 /nfs/dbraw/zinc/82/57/31/568825731.db2.gz FOOBTUKRBSHMKG-JOCHJYFZSA-N 1 1 406.551 5.182 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000057273801 568825674 /nfs/dbraw/zinc/82/56/74/568825674.db2.gz OPQPOFNFCCVJQY-UHFFFAOYSA-N 1 1 402.519 5.796 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@@H+](Cc2ccco2)Cc2cccs2)cc1 ZINC000057273801 568825675 /nfs/dbraw/zinc/82/56/75/568825675.db2.gz OPQPOFNFCCVJQY-UHFFFAOYSA-N 1 1 402.519 5.796 50 0 HKAAMO CC(C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 ZINC000057286309 568825984 /nfs/dbraw/zinc/82/59/84/568825984.db2.gz DKSMITHHYPTPGE-DEOSSOPVSA-N 1 1 422.598 5.501 50 0 HKAAMO CC(C)c1ccc([C@@H]([NH2+]CC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 ZINC000057286311 568825889 /nfs/dbraw/zinc/82/58/89/568825889.db2.gz DKSMITHHYPTPGE-XMMPIXPASA-N 1 1 422.598 5.501 50 0 HKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057289784 568825967 /nfs/dbraw/zinc/82/59/67/568825967.db2.gz XVSADSWUCWGNDG-DEOSSOPVSA-N 1 1 405.567 5.056 50 0 HKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057289786 568825899 /nfs/dbraw/zinc/82/58/99/568825899.db2.gz XVSADSWUCWGNDG-XMMPIXPASA-N 1 1 405.567 5.056 50 0 HKAAMO COc1ccccc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(CC(C)C)cc1 ZINC000057323154 568827112 /nfs/dbraw/zinc/82/71/12/568827112.db2.gz CVPKTNWCJYWVAT-DEOSSOPVSA-N 1 1 408.567 5.273 50 0 HKAAMO COc1ccccc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(CC(C)C)cc1 ZINC000057323156 568827071 /nfs/dbraw/zinc/82/70/71/568827071.db2.gz CVPKTNWCJYWVAT-XMMPIXPASA-N 1 1 408.567 5.273 50 0 HKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@H]2c2cccn2C)cc1Cl ZINC000057347704 568827323 /nfs/dbraw/zinc/82/73/23/568827323.db2.gz DQANOALZNZNFCP-GMAHTHKFSA-N 1 1 423.944 5.204 50 0 HKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@H]2c2cccn2C)cc1Cl ZINC000057347704 568827324 /nfs/dbraw/zinc/82/73/24/568827324.db2.gz DQANOALZNZNFCP-GMAHTHKFSA-N 1 1 423.944 5.204 50 0 HKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2CCC[C@@H]2c2cccn2C)cc1Cl ZINC000057347708 568827317 /nfs/dbraw/zinc/82/73/17/568827317.db2.gz DQANOALZNZNFCP-GGAORHGYSA-N 1 1 423.944 5.204 50 0 HKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2CCC[C@@H]2c2cccn2C)cc1Cl ZINC000057347708 568827318 /nfs/dbraw/zinc/82/73/18/568827318.db2.gz DQANOALZNZNFCP-GGAORHGYSA-N 1 1 423.944 5.204 50 0 HKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057355258 568827587 /nfs/dbraw/zinc/82/75/87/568827587.db2.gz ANEBQLPOMXPADM-XMMPIXPASA-N 1 1 423.557 5.195 50 0 HKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 ZINC000057355260 568827595 /nfs/dbraw/zinc/82/75/95/568827595.db2.gz ANEBQLPOMXPADM-DEOSSOPVSA-N 1 1 423.557 5.195 50 0 HKAAMO COc1ccc2cc(C[N@H+](C)[C@H](C)c3nc4sc(C)c(C)c4c(N)n3)ccc2c1 ZINC000057358606 568827528 /nfs/dbraw/zinc/82/75/28/568827528.db2.gz IURSMCJPHHWGJA-CQSZACIVSA-N 1 1 406.555 5.245 50 0 HKAAMO COc1ccc2cc(C[N@@H+](C)[C@H](C)c3nc4sc(C)c(C)c4c(N)n3)ccc2c1 ZINC000057358606 568827529 /nfs/dbraw/zinc/82/75/29/568827529.db2.gz IURSMCJPHHWGJA-CQSZACIVSA-N 1 1 406.555 5.245 50 0 HKAAMO COc1ccc2cc(C[N@H+](C)[C@@H](C)c3nc4sc(C)c(C)c4c(N)n3)ccc2c1 ZINC000057358608 568827506 /nfs/dbraw/zinc/82/75/06/568827506.db2.gz IURSMCJPHHWGJA-AWEZNQCLSA-N 1 1 406.555 5.245 50 0 HKAAMO COc1ccc2cc(C[N@@H+](C)[C@@H](C)c3nc4sc(C)c(C)c4c(N)n3)ccc2c1 ZINC000057358608 568827507 /nfs/dbraw/zinc/82/75/07/568827507.db2.gz IURSMCJPHHWGJA-AWEZNQCLSA-N 1 1 406.555 5.245 50 0 HKAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl ZINC000057364140 568829312 /nfs/dbraw/zinc/82/93/12/568829312.db2.gz OCPJCRUEGNVWCK-UHFFFAOYSA-N 1 1 419.739 5.965 50 0 HKAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1Sc1ccccc1 ZINC000057364144 568829235 /nfs/dbraw/zinc/82/92/35/568829235.db2.gz HNBACUXLISJKJX-UHFFFAOYSA-N 1 1 424.569 6.156 50 0 HKAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000057392033 568831548 /nfs/dbraw/zinc/83/15/48/568831548.db2.gz ZQWGNTUGQFXHJZ-VWLOTQADSA-N 1 1 414.530 5.858 50 0 HKAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1ccccc1Oc1ccccc1 ZINC000057392035 568831556 /nfs/dbraw/zinc/83/15/56/568831556.db2.gz ZQWGNTUGQFXHJZ-RUZDIDTESA-N 1 1 414.530 5.858 50 0 HKAAMO CC[N@@H+](Cc1ccccc1)Cn1c2ccccc2n(CCc2ccccc2)c1=S ZINC000057395102 568831561 /nfs/dbraw/zinc/83/15/61/568831561.db2.gz IJODFIIMRZCHIS-UHFFFAOYSA-N 1 1 401.579 5.895 50 0 HKAAMO CC[N@H+](Cc1ccccc1)Cn1c2ccccc2n(CCc2ccccc2)c1=S ZINC000057395102 568831562 /nfs/dbraw/zinc/83/15/62/568831562.db2.gz IJODFIIMRZCHIS-UHFFFAOYSA-N 1 1 401.579 5.895 50 0 HKAAMO O=C(c1cc2c(s1)CCCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000057416753 568834356 /nfs/dbraw/zinc/83/43/56/568834356.db2.gz PBDTUYACGLJRKZ-UHFFFAOYSA-N 1 1 416.590 5.174 50 0 HKAAMO c1ccc(COc2ccc(-c3noc(C[N@H+]4CC=C(c5ccccc5)CC4)n3)cc2)cc1 ZINC000057427776 568835980 /nfs/dbraw/zinc/83/59/80/568835980.db2.gz HINAWUDCLRSNNF-UHFFFAOYSA-N 1 1 423.516 5.605 50 0 HKAAMO c1ccc(COc2ccc(-c3noc(C[N@@H+]4CC=C(c5ccccc5)CC4)n3)cc2)cc1 ZINC000057427776 568835982 /nfs/dbraw/zinc/83/59/82/568835982.db2.gz HINAWUDCLRSNNF-UHFFFAOYSA-N 1 1 423.516 5.605 50 0 HKAAMO CC[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000057432311 568836634 /nfs/dbraw/zinc/83/66/34/568836634.db2.gz FFNCOFRRIHWDAL-UHFFFAOYSA-N 1 1 403.551 5.291 50 0 HKAAMO CC[N@H+](Cc1ccccc1)Cc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000057432311 568836636 /nfs/dbraw/zinc/83/66/36/568836636.db2.gz FFNCOFRRIHWDAL-UHFFFAOYSA-N 1 1 403.551 5.291 50 0 HKAAMO CC[N@@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000057452099 568837899 /nfs/dbraw/zinc/83/78/99/568837899.db2.gz HHLXPCMEPNBYOM-UHFFFAOYSA-N 1 1 409.942 5.327 50 0 HKAAMO CC[N@H+](Cc1ccccc1)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1 ZINC000057452099 568837900 /nfs/dbraw/zinc/83/79/00/568837900.db2.gz HHLXPCMEPNBYOM-UHFFFAOYSA-N 1 1 409.942 5.327 50 0 HKAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)c2cccs2)cc1 ZINC000057460470 568837910 /nfs/dbraw/zinc/83/79/10/568837910.db2.gz SAZVDDQKWSLGLB-QHCPKHFHSA-N 1 1 412.986 5.898 50 0 HKAAMO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)c2cccs2)cc1 ZINC000057460471 568837799 /nfs/dbraw/zinc/83/77/99/568837799.db2.gz SAZVDDQKWSLGLB-HSZRJFAPSA-N 1 1 412.986 5.898 50 0 HKAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000057475482 568839289 /nfs/dbraw/zinc/83/92/89/568839289.db2.gz FRANOVLITKESCQ-ZDUSSCGKSA-N 1 1 417.340 5.085 50 0 HKAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000057475483 568839515 /nfs/dbraw/zinc/83/95/15/568839515.db2.gz FRANOVLITKESCQ-CYBMUJFWSA-N 1 1 417.340 5.085 50 0 HKAAMO Cc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3Cl)CC2)c1C ZINC000057541670 568852598 /nfs/dbraw/zinc/85/25/98/568852598.db2.gz RQFDZMZCSINYHP-UHFFFAOYSA-N 1 1 415.368 5.323 50 0 HKAAMO C[N@H+](CC(=O)N1CCC[C@@H]1c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000057758486 568860125 /nfs/dbraw/zinc/86/01/25/568860125.db2.gz UUSIQWHBTMBJTG-QPPBQGQZSA-N 1 1 408.542 5.272 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000057758486 568860126 /nfs/dbraw/zinc/86/01/26/568860126.db2.gz UUSIQWHBTMBJTG-QPPBQGQZSA-N 1 1 408.542 5.272 50 0 HKAAMO C[N@H+](CC(=O)N1CCC[C@H]1c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000057758490 568860012 /nfs/dbraw/zinc/86/00/12/568860012.db2.gz UUSIQWHBTMBJTG-URXFXBBRSA-N 1 1 408.542 5.272 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC[C@H]1c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000057758490 568860014 /nfs/dbraw/zinc/86/00/14/568860014.db2.gz UUSIQWHBTMBJTG-URXFXBBRSA-N 1 1 408.542 5.272 50 0 HKAAMO O=C(/C(=C/c1ccccc1)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000057995964 568873405 /nfs/dbraw/zinc/87/34/05/568873405.db2.gz KCPVSXNMBYCWHI-NCELDCMTSA-N 1 1 416.952 5.225 50 0 HKAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000058088418 558898459 /nfs/dbraw/zinc/89/84/59/558898459.db2.gz IYHRUCUJHCXZKF-HXUWFJFHSA-N 1 1 403.570 5.181 50 0 HKAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 ZINC000058088425 558898418 /nfs/dbraw/zinc/89/84/18/558898418.db2.gz IYHRUCUJHCXZKF-FQEVSTJZSA-N 1 1 403.570 5.181 50 0 HKAAMO Cc1ccc(C)c(C[N@@H+]2CCCN(C(=S)Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC000058096652 568885539 /nfs/dbraw/zinc/88/55/39/568885539.db2.gz SEYZLNUADUHLHK-UHFFFAOYSA-N 1 1 407.505 5.184 50 0 HKAAMO Cc1ccc(C)c(C[N@H+]2CCCN(C(=S)Nc3cccc(C(F)(F)F)c3)C2)c1 ZINC000058096652 568885540 /nfs/dbraw/zinc/88/55/40/568885540.db2.gz SEYZLNUADUHLHK-UHFFFAOYSA-N 1 1 407.505 5.184 50 0 HKAAMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000058128494 558900223 /nfs/dbraw/zinc/90/02/23/558900223.db2.gz KKTYIEGQBSKNEI-NRFANRHFSA-N 1 1 404.819 5.075 50 0 HKAAMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F ZINC000058128503 558900214 /nfs/dbraw/zinc/90/02/14/558900214.db2.gz KKTYIEGQBSKNEI-OAQYLSRUSA-N 1 1 404.819 5.075 50 0 HKAAMO O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000058155811 568893186 /nfs/dbraw/zinc/89/31/86/568893186.db2.gz CJOKNZQEXSPXGM-UHFFFAOYSA-N 1 1 406.551 5.067 50 0 HKAAMO COc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2)cc1 ZINC000058157835 558903418 /nfs/dbraw/zinc/90/34/18/558903418.db2.gz FZOBCYMTOFKSSW-MUUNZHRXSA-N 1 1 422.528 5.680 50 0 HKAAMO COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2)cc1 ZINC000058157836 558903344 /nfs/dbraw/zinc/90/33/44/558903344.db2.gz FZOBCYMTOFKSSW-NDEPHWFRSA-N 1 1 422.528 5.680 50 0 HKAAMO Cc1ccc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)c(Br)c1 ZINC000058158665 558903842 /nfs/dbraw/zinc/90/38/42/558903842.db2.gz MXJDWFCCVDRFLI-UHFFFAOYSA-N 1 1 409.327 5.075 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000058160498 558905087 /nfs/dbraw/zinc/90/50/87/558905087.db2.gz QXWHFCWESFVDSX-JOCHJYFZSA-N 1 1 413.546 5.886 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000058160498 558905089 /nfs/dbraw/zinc/90/50/89/558905089.db2.gz QXWHFCWESFVDSX-JOCHJYFZSA-N 1 1 413.546 5.886 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000058160499 558905070 /nfs/dbraw/zinc/90/50/70/558905070.db2.gz QXWHFCWESFVDSX-QFIPXVFZSA-N 1 1 413.546 5.886 50 0 HKAAMO O=C(Nc1ccccc1)c1ccc(C[N@H+]2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000058160499 558905073 /nfs/dbraw/zinc/90/50/73/558905073.db2.gz QXWHFCWESFVDSX-QFIPXVFZSA-N 1 1 413.546 5.886 50 0 HKAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1cccc(Oc2ccccc2)c1 ZINC000058160517 568894232 /nfs/dbraw/zinc/89/42/32/568894232.db2.gz INGKECXHUODDEX-UHFFFAOYSA-N 1 1 408.501 5.797 50 0 HKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058160696 558905274 /nfs/dbraw/zinc/90/52/74/558905274.db2.gz FEECCBZUQICMEP-UHFFFAOYSA-N 1 1 400.566 6.251 50 0 HKAAMO Cc1cc(Br)ccc1NC(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000058160870 558905315 /nfs/dbraw/zinc/90/53/15/558905315.db2.gz AMSHVNYNGQATCG-UHFFFAOYSA-N 1 1 409.327 5.075 50 0 HKAAMO CCn1c2ccccc2c(C(=O)C[N@H+](C)Cc2cccc(OC)c2)c1-c1ccccc1 ZINC000058160880 568894441 /nfs/dbraw/zinc/89/44/41/568894441.db2.gz LKWHJQYXUSNBGD-UHFFFAOYSA-N 1 1 412.533 5.652 50 0 HKAAMO CCn1c2ccccc2c(C(=O)C[N@@H+](C)Cc2cccc(OC)c2)c1-c1ccccc1 ZINC000058160880 568894443 /nfs/dbraw/zinc/89/44/43/568894443.db2.gz LKWHJQYXUSNBGD-UHFFFAOYSA-N 1 1 412.533 5.652 50 0 HKAAMO CCCn1c(=S)n(C[N@H+](CCC)[C@@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000058162840 568895011 /nfs/dbraw/zinc/89/50/11/568895011.db2.gz OEXPBPTXRJENSD-OAQYLSRUSA-N 1 1 407.587 5.243 50 0 HKAAMO CCCn1c(=S)n(C[N@@H+](CCC)[C@@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000058162840 568895014 /nfs/dbraw/zinc/89/50/14/568895014.db2.gz OEXPBPTXRJENSD-OAQYLSRUSA-N 1 1 407.587 5.243 50 0 HKAAMO CCCn1c(=S)n(C[N@H+](CCC)[C@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000058162841 568894990 /nfs/dbraw/zinc/89/49/90/568894990.db2.gz OEXPBPTXRJENSD-NRFANRHFSA-N 1 1 407.587 5.243 50 0 HKAAMO CCCn1c(=S)n(C[N@@H+](CCC)[C@H]2CCc3ccccc32)nc1-c1ccncc1 ZINC000058162841 568894991 /nfs/dbraw/zinc/89/49/91/568894991.db2.gz OEXPBPTXRJENSD-NRFANRHFSA-N 1 1 407.587 5.243 50 0 HKAAMO O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000058163263 558906579 /nfs/dbraw/zinc/90/65/79/558906579.db2.gz ADGXEIYIDBSAOS-UHFFFAOYSA-N 1 1 418.846 5.677 50 0 HKAAMO CCOC(=O)c1c(C[N@H+](C)Cc2cccs2)nc2ccccc2c1-c1ccccc1 ZINC000058163308 558906590 /nfs/dbraw/zinc/90/65/90/558906590.db2.gz CJNXRAINIRERJI-UHFFFAOYSA-N 1 1 416.546 5.772 50 0 HKAAMO CCOC(=O)c1c(C[N@@H+](C)Cc2cccs2)nc2ccccc2c1-c1ccccc1 ZINC000058163308 558906592 /nfs/dbraw/zinc/90/65/92/558906592.db2.gz CJNXRAINIRERJI-UHFFFAOYSA-N 1 1 416.546 5.772 50 0 HKAAMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058163982 558906514 /nfs/dbraw/zinc/90/65/14/558906514.db2.gz SLZXYGURMXYSNX-MRXNPFEDSA-N 1 1 403.551 5.537 50 0 HKAAMO Cc1[nH]c2ccccc2c1C(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000058163984 558906598 /nfs/dbraw/zinc/90/65/98/558906598.db2.gz SLZXYGURMXYSNX-INIZCTEOSA-N 1 1 403.551 5.537 50 0 HKAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000058166232 558906930 /nfs/dbraw/zinc/90/69/30/558906930.db2.gz QCPBWWRLIAKLLI-DEOSSOPVSA-N 1 1 404.510 5.015 50 0 HKAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2ccc(OCc3ccncc3)cc2)c1 ZINC000058166233 558906911 /nfs/dbraw/zinc/90/69/11/558906911.db2.gz QCPBWWRLIAKLLI-XMMPIXPASA-N 1 1 404.510 5.015 50 0 HKAAMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1)Nc1ccccc1Oc1ccccc1 ZINC000058173719 558908837 /nfs/dbraw/zinc/90/88/37/558908837.db2.gz KERDBFPPPUORBE-MHZLTWQESA-N 1 1 424.500 5.502 50 0 HKAAMO O=C(C[NH2+][C@H](c1ccccc1)c1ccc(O)cc1)Nc1ccccc1Oc1ccccc1 ZINC000058173722 558908723 /nfs/dbraw/zinc/90/87/23/558908723.db2.gz KERDBFPPPUORBE-HHHXNRCGSA-N 1 1 424.500 5.502 50 0 HKAAMO C[N@H+](Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S)C(C1CC1)C1CC1 ZINC000058182243 558910317 /nfs/dbraw/zinc/91/03/17/558910317.db2.gz PYPORPNPMCWWOG-UHFFFAOYSA-N 1 1 410.612 5.269 50 0 HKAAMO C[N@@H+](Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S)C(C1CC1)C1CC1 ZINC000058182243 558910319 /nfs/dbraw/zinc/91/03/19/558910319.db2.gz PYPORPNPMCWWOG-UHFFFAOYSA-N 1 1 410.612 5.269 50 0 HKAAMO COc1cccc(C[N@H+](Cc2csc(-c3cccs3)n2)C2CCC(O)CC2)c1 ZINC000058264342 558915273 /nfs/dbraw/zinc/91/52/73/558915273.db2.gz GGWIVULJRZCCCI-UHFFFAOYSA-N 1 1 414.596 5.186 50 0 HKAAMO COc1cccc(C[N@@H+](Cc2csc(-c3cccs3)n2)C2CCC(O)CC2)c1 ZINC000058264342 558915275 /nfs/dbraw/zinc/91/52/75/558915275.db2.gz GGWIVULJRZCCCI-UHFFFAOYSA-N 1 1 414.596 5.186 50 0 HKAAMO CC(C)c1nc(CCNC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cs1 ZINC000058297574 558917337 /nfs/dbraw/zinc/91/73/37/558917337.db2.gz NKWLDCDXKKETLU-UHFFFAOYSA-N 1 1 414.619 5.395 50 0 HKAAMO C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCCc2ccccc21 ZINC000058357445 558921593 /nfs/dbraw/zinc/92/15/93/558921593.db2.gz IWXJEJFDOGGQRK-OAHLLOKOSA-N 1 1 404.333 5.070 50 0 HKAAMO C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCCc2ccccc21 ZINC000058357445 558921595 /nfs/dbraw/zinc/92/15/95/558921595.db2.gz IWXJEJFDOGGQRK-OAHLLOKOSA-N 1 1 404.333 5.070 50 0 HKAAMO C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@H]1CCCc2ccccc21 ZINC000058357446 558921466 /nfs/dbraw/zinc/92/14/66/558921466.db2.gz IWXJEJFDOGGQRK-HNNXBMFYSA-N 1 1 404.333 5.070 50 0 HKAAMO C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)[C@H]1CCCc2ccccc21 ZINC000058357446 558921470 /nfs/dbraw/zinc/92/14/70/558921470.db2.gz IWXJEJFDOGGQRK-HNNXBMFYSA-N 1 1 404.333 5.070 50 0 HKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000058451775 558927964 /nfs/dbraw/zinc/92/79/64/558927964.db2.gz IPDLBPOODBNKIX-FQEVSTJZSA-N 1 1 418.846 5.828 50 0 HKAAMO O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]([NH2+]Cc1ccccc1)c1ccccc1 ZINC000058451776 558927978 /nfs/dbraw/zinc/92/79/78/558927978.db2.gz IPDLBPOODBNKIX-HXUWFJFHSA-N 1 1 418.846 5.828 50 0 HKAAMO C[C@@H](c1ccccc1)[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 ZINC000060339131 558852041 /nfs/dbraw/zinc/85/20/41/558852041.db2.gz IOAPCIOZTQWIJL-AWEZNQCLSA-N 1 1 402.325 6.017 50 0 HKAAMO C[C@H](c1ccccc1)[N@H+](Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 ZINC000060339132 558852056 /nfs/dbraw/zinc/85/20/56/558852056.db2.gz IOAPCIOZTQWIJL-CQSZACIVSA-N 1 1 402.325 6.017 50 0 HKAAMO Fc1ccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000060343303 559054292 /nfs/dbraw/zinc/05/42/92/559054292.db2.gz XDVMUDPZAQHHCQ-INIZCTEOSA-N 1 1 405.395 5.274 50 0 HKAAMO Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 ZINC000060343304 558857224 /nfs/dbraw/zinc/85/72/24/558857224.db2.gz XDVMUDPZAQHHCQ-MRXNPFEDSA-N 1 1 405.395 5.274 50 0 HKAAMO C[N@@H+](Cc1ccccc1NS(=O)(=O)Cc1ccccc1Cl)C1CCCCC1 ZINC000060378985 558942766 /nfs/dbraw/zinc/94/27/66/558942766.db2.gz WLHQTPNRTJQYGT-UHFFFAOYSA-N 1 1 406.979 5.046 50 0 HKAAMO Brc1ccccc1-c1nnc(C[N@H+]2CCC[C@@H]2CC2CCCCC2)o1 ZINC000060892904 559165064 /nfs/dbraw/zinc/16/50/64/559165064.db2.gz NBLSVFLNVPYIJK-MRXNPFEDSA-N 1 1 404.352 5.434 50 0 HKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)Cn1c(-c2cccs2)cc2ccccc21 ZINC000064657437 569077139 /nfs/dbraw/zinc/07/71/39/569077139.db2.gz DNANTDMTUMRIDF-KDURUIRLSA-N 1 1 409.599 5.139 50 0 HKAAMO CCOC(=O)CC1=CC(SCc2ccc(F)cc2Cl)=[NH+]c2ccccc2N1 ZINC000064661302 569078041 /nfs/dbraw/zinc/07/80/41/569078041.db2.gz UJRWQOQMAFPGHN-UHFFFAOYSA-N 1 1 404.894 5.705 50 0 HKAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc(C)[nH+]1 ZINC000064800735 569097475 /nfs/dbraw/zinc/09/74/75/569097475.db2.gz VFVBMWHZKHKWPT-UHFFFAOYSA-N 1 1 403.530 5.510 50 0 HKAAMO CCNc1nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc(C)[nH+]1 ZINC000064800770 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5.035 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800857 569097532 /nfs/dbraw/zinc/09/75/32/569097532.db2.gz WXLLVYFSVGZHPZ-UHFFFAOYSA-N 1 1 407.905 5.035 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc4ccccc43)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800875 569097518 /nfs/dbraw/zinc/09/75/18/569097518.db2.gz JGRLKMYTTMCMJZ-UHFFFAOYSA-N 1 1 423.520 5.534 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064800884 569097620 /nfs/dbraw/zinc/09/76/20/569097620.db2.gz PYEXWQJFQVSLIQ-UHFFFAOYSA-N 1 1 423.520 5.534 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3C)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800914 569097624 /nfs/dbraw/zinc/09/76/24/569097624.db2.gz XOKMBKIJQDQVPF-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064800919 569097547 /nfs/dbraw/zinc/09/75/47/569097547.db2.gz QCGZWFXPBFUIGJ-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064800922 569097636 /nfs/dbraw/zinc/09/76/36/569097636.db2.gz WUAMXESIRMORFO-UHFFFAOYSA-N 1 1 401.514 5.080 50 0 HKAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c(C)c1 ZINC000064800924 569097600 /nfs/dbraw/zinc/09/76/00/569097600.db2.gz ITZSIUVMTPYVRT-UHFFFAOYSA-N 1 1 415.541 5.388 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800926 569097565 /nfs/dbraw/zinc/09/75/65/569097565.db2.gz SEVDQSOHHLXHBQ-UHFFFAOYSA-N 1 1 415.541 5.388 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800956 569097614 /nfs/dbraw/zinc/09/76/14/569097614.db2.gz LWXVDRPRKJJQHR-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800957 569097523 /nfs/dbraw/zinc/09/75/23/569097523.db2.gz ZFHKECYJVAAGFB-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800958 569097593 /nfs/dbraw/zinc/09/75/93/569097593.db2.gz VZPDGSWGRVZNKR-UHFFFAOYSA-N 1 1 421.932 5.425 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3c(F)cccc3F)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064800959 569097551 /nfs/dbraw/zinc/09/75/51/569097551.db2.gz VRBXDRJOKLZENS-UHFFFAOYSA-N 1 1 423.467 5.049 50 0 HKAAMO CCc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064800981 569097604 /nfs/dbraw/zinc/09/76/04/569097604.db2.gz SPEIOIWYTJNHKC-UHFFFAOYSA-N 1 1 415.541 5.334 50 0 HKAAMO Cc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)c1 ZINC000064800984 569097537 /nfs/dbraw/zinc/09/75/37/569097537.db2.gz UOLWVEYTYMSTPF-UHFFFAOYSA-N 1 1 415.541 5.388 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801189 569096999 /nfs/dbraw/zinc/09/69/99/569096999.db2.gz XCVRVLZLQPZAGQ-UHFFFAOYSA-N 1 1 401.514 5.526 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3C)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801193 569096997 /nfs/dbraw/zinc/09/69/97/569096997.db2.gz TWZZYNIKNQLFBQ-UHFFFAOYSA-N 1 1 415.541 5.834 50 0 HKAAMO Cc1cccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)c1 ZINC000064801197 569097061 /nfs/dbraw/zinc/09/70/61/569097061.db2.gz INQOPSADAWCMOT-UHFFFAOYSA-N 1 1 415.541 5.834 50 0 HKAAMO Cc1ccc(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(NC4CCCCC4)n3)cc2)cc1 ZINC000064801199 569096979 /nfs/dbraw/zinc/09/69/79/569096979.db2.gz QOVIUPYNIVRONI-UHFFFAOYSA-N 1 1 415.541 5.834 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccccc3F)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801210 569097094 /nfs/dbraw/zinc/09/70/94/569097094.db2.gz YHEPWYVJSDYXNW-UHFFFAOYSA-N 1 1 419.504 5.665 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801213 569097065 /nfs/dbraw/zinc/09/70/65/569097065.db2.gz FVSHANFTGJHSLU-UHFFFAOYSA-N 1 1 419.504 5.665 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801221 569096992 /nfs/dbraw/zinc/09/69/92/569096992.db2.gz IMTYENBJCNGQLR-UHFFFAOYSA-N 1 1 419.504 5.665 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)c3cccs3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801222 569097010 /nfs/dbraw/zinc/09/70/10/569097010.db2.gz UMXRZYMBEMVWOQ-UHFFFAOYSA-N 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ZINC000064801266 569097080 /nfs/dbraw/zinc/09/70/80/569097080.db2.gz QKOWMTQSYCEOHK-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801277 569096987 /nfs/dbraw/zinc/09/69/87/569096987.db2.gz JRTUBTYMIIDQKL-UHFFFAOYSA-N 1 1 402.502 5.081 50 0 HKAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064801284 569097020 /nfs/dbraw/zinc/09/70/20/569097020.db2.gz YFDWXQUDXOXTCS-UHFFFAOYSA-N 1 1 402.502 5.081 50 0 HKAAMO CCc1ccccc1NC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCC3)n2)cc1 ZINC000064801290 569097033 /nfs/dbraw/zinc/09/70/33/569097033.db2.gz VZCTVHZVRPDAOJ-UHFFFAOYSA-N 1 1 416.529 5.335 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c(C)c1 ZINC000064801292 569097029 /nfs/dbraw/zinc/09/70/29/569097029.db2.gz DHSMMSKMJNWTCG-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO CCc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064801295 569097016 /nfs/dbraw/zinc/09/70/16/569097016.db2.gz GRDNTIMZEYJLEQ-UHFFFAOYSA-N 1 1 416.529 5.335 50 0 HKAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCCC4)n3)cc2)cc1 ZINC000064801311 569097002 /nfs/dbraw/zinc/09/70/02/569097002.db2.gz LQWZTXSRPNPSRZ-UHFFFAOYSA-N 1 1 416.529 5.471 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801312 569097053 /nfs/dbraw/zinc/09/70/53/569097053.db2.gz AGGLHZWQUXFJAA-UHFFFAOYSA-N 1 1 416.529 5.471 50 0 HKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3ccc4ccccc4c3)cc2)cc(C)[nH+]1 ZINC000064801428 569097126 /nfs/dbraw/zinc/09/71/26/569097126.db2.gz XBYNEGUKZNOSGS-UHFFFAOYSA-N 1 1 412.497 5.758 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801440 569097206 /nfs/dbraw/zinc/09/72/06/569097206.db2.gz DECVBFJQGHDSIQ-UHFFFAOYSA-N 1 1 422.920 5.426 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801441 569097116 /nfs/dbraw/zinc/09/71/16/569097116.db2.gz QTSPUAQEUHCUKT-UHFFFAOYSA-N 1 1 422.920 5.426 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801444 569097149 /nfs/dbraw/zinc/09/71/49/569097149.db2.gz VYSOKRCZFBRLPK-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1ccc(C)c(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064801449 569097122 /nfs/dbraw/zinc/09/71/22/569097122.db2.gz ZUZMEHDWRXRTTM-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1cc(C)cc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCCC4)n3)cc2)c1 ZINC000064801453 569097143 /nfs/dbraw/zinc/09/71/43/569097143.db2.gz ZFOZJLCYNWRESG-UHFFFAOYSA-N 1 1 416.529 5.390 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801468 569097135 /nfs/dbraw/zinc/09/71/35/569097135.db2.gz NXTJTJBYCUQVDG-UHFFFAOYSA-N 1 1 420.492 5.220 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cc(F)cc(F)c3)cc2)nc(N2CCCC2)[nH+]1 ZINC000064801482 569097955 /nfs/dbraw/zinc/09/79/55/569097955.db2.gz GEXBAGPWDCSFSP-UHFFFAOYSA-N 1 1 424.455 5.051 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801483 569097931 /nfs/dbraw/zinc/09/79/31/569097931.db2.gz QTQKCCCHTYKQPK-UHFFFAOYSA-N 1 1 402.502 5.163 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801491 569097840 /nfs/dbraw/zinc/09/78/40/569097840.db2.gz MCKCTMNLQNXJPQ-UHFFFAOYSA-N 1 1 420.492 5.302 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801523 569097958 /nfs/dbraw/zinc/09/79/58/569097958.db2.gz ZXDJRLDSOZXWRN-UHFFFAOYSA-N 1 1 420.492 5.302 50 0 HKAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3)cc2)nc(NC2CCCCC2)[nH+]1 ZINC000064801648 569097866 /nfs/dbraw/zinc/09/78/66/569097866.db2.gz QMCLZYYLFYBQIA-UHFFFAOYSA-N 1 1 416.529 5.917 50 0 HKAAMO COC(=O)CC1=CC(SCc2cccc(C(F)(F)F)c2)=[NH+]c2ccccc2N1 ZINC000064869567 569112266 /nfs/dbraw/zinc/11/22/66/569112266.db2.gz LUFHQSLTKGNSJY-UHFFFAOYSA-N 1 1 406.429 5.541 50 0 HKAAMO CCOC(=O)CC1=CC(SCc2cccc(C(F)(F)F)c2)=[NH+]c2ccccc2N1 ZINC000064869817 569112381 /nfs/dbraw/zinc/11/23/81/569112381.db2.gz IPRFRZDQPWQYLD-UHFFFAOYSA-N 1 1 420.456 5.931 50 0 HKAAMO CC(C)(C)[C@@H]([NH2+]Cc1nc(-c2cc(Br)cs2)no1)c1ccccc1 ZINC000064932837 569124621 /nfs/dbraw/zinc/12/46/21/569124621.db2.gz ILOMJFUJPPZBOK-INIZCTEOSA-N 1 1 406.349 5.438 50 0 HKAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000065322208 569224485 /nfs/dbraw/zinc/22/44/85/569224485.db2.gz AQHORLJTOMVWFE-UHFFFAOYSA-N 1 1 410.949 5.338 50 0 HKAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000065322209 569224493 /nfs/dbraw/zinc/22/44/93/569224493.db2.gz LLWHJGTYVGRBEF-UHFFFAOYSA-N 1 1 410.949 5.338 50 0 HKAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 ZINC000065322267 569224604 /nfs/dbraw/zinc/22/46/04/569224604.db2.gz WDOMEEDEWUMNBX-UHFFFAOYSA-N 1 1 410.949 5.509 50 0 HKAAMO CC(C)n1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000065322269 569224594 /nfs/dbraw/zinc/22/45/94/569224594.db2.gz RQDVDWJQRJUERZ-UHFFFAOYSA-N 1 1 410.949 5.509 50 0 HKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3cccc(C)c3)ccc21 ZINC000065322340 569224514 /nfs/dbraw/zinc/22/45/14/569224514.db2.gz AJONCGMYBSFBPO-UHFFFAOYSA-N 1 1 404.558 5.383 50 0 HKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3C)ccc21 ZINC000065322341 569224512 /nfs/dbraw/zinc/22/45/12/569224512.db2.gz OHQKXWKJWZGXPK-UHFFFAOYSA-N 1 1 404.558 5.383 50 0 HKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000065322344 569224582 /nfs/dbraw/zinc/22/45/82/569224582.db2.gz LQNNSDBIAPRIOW-UHFFFAOYSA-N 1 1 420.557 5.083 50 0 HKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000065322346 569224553 /nfs/dbraw/zinc/22/45/53/569224553.db2.gz FZWGUYXZTUBYPJ-UHFFFAOYSA-N 1 1 420.557 5.083 50 0 HKAAMO CCCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 ZINC000065322354 569224531 /nfs/dbraw/zinc/22/45/31/569224531.db2.gz FGHZTVQECWXWBB-UHFFFAOYSA-N 1 1 408.521 5.214 50 0 HKAAMO CC(=O)c1cccc(-c2cc([C@H]3CC[N@@H+](Cc4nc(C(C)C)cs4)C3)ccn2)c1 ZINC000065454460 558977605 /nfs/dbraw/zinc/97/76/05/558977605.db2.gz CCPGWLVUKMQULR-NRFANRHFSA-N 1 1 405.567 5.521 50 0 HKAAMO CC(=O)c1cccc(-c2cc([C@H]3CC[N@H+](Cc4nc(C(C)C)cs4)C3)ccn2)c1 ZINC000065454460 558977607 /nfs/dbraw/zinc/97/76/07/558977607.db2.gz CCPGWLVUKMQULR-NRFANRHFSA-N 1 1 405.567 5.521 50 0 HKAAMO CC(=O)c1cccc(-c2cc([C@@H]3CC[N@@H+](Cc4nc(C(C)C)cs4)C3)ccn2)c1 ZINC000065454462 558977616 /nfs/dbraw/zinc/97/76/16/558977616.db2.gz CCPGWLVUKMQULR-OAQYLSRUSA-N 1 1 405.567 5.521 50 0 HKAAMO CC(=O)c1cccc(-c2cc([C@@H]3CC[N@H+](Cc4nc(C(C)C)cs4)C3)ccn2)c1 ZINC000065454462 558977617 /nfs/dbraw/zinc/97/76/17/558977617.db2.gz CCPGWLVUKMQULR-OAQYLSRUSA-N 1 1 405.567 5.521 50 0 HKAAMO COc1ccc(/C=C/C[N@H+]2CC[C@@H](c3ccnc(-c4cccc(C(C)=O)c4)c3)C2)cc1 ZINC000065469561 558977863 /nfs/dbraw/zinc/97/78/63/558977863.db2.gz WVCBZZULYCQIMB-YQRKEEQESA-N 1 1 412.533 5.463 50 0 HKAAMO COc1ccc(/C=C/C[N@H+]2CC[C@H](c3ccnc(-c4cccc(C(C)=O)c4)c3)C2)cc1 ZINC000065469566 558977979 /nfs/dbraw/zinc/97/79/79/558977979.db2.gz WVCBZZULYCQIMB-MGPWBUOISA-N 1 1 412.533 5.463 50 0 HKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065552463 569235123 /nfs/dbraw/zinc/23/51/23/569235123.db2.gz HJEZMHVMOYZYES-BGYRXZFFSA-N 1 1 415.622 5.287 50 0 HKAAMO Cc1c([C@H](C)[NH2+]Cc2cnc(-c3ccccc3C)nc2)cnn1-c1ccc(F)cc1F ZINC000067540581 558987136 /nfs/dbraw/zinc/98/71/36/558987136.db2.gz DLJCINWECMSHGB-INIZCTEOSA-N 1 1 419.479 5.075 50 0 HKAAMO Cc1c([C@@H](C)[NH2+]Cc2cnc(-c3ccccc3C)nc2)cnn1-c1ccc(F)cc1F ZINC000067540586 558987130 /nfs/dbraw/zinc/98/71/30/558987130.db2.gz DLJCINWECMSHGB-MRXNPFEDSA-N 1 1 419.479 5.075 50 0 HKAAMO CC(=O)c1cccc(CN(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000067642337 558990813 /nfs/dbraw/zinc/99/08/13/558990813.db2.gz RLSCGFZRGRIAPS-VWLOTQADSA-N 1 1 419.613 5.331 50 0 HKAAMO CC(=O)c1cccc(CN(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000067642341 558990820 /nfs/dbraw/zinc/99/08/20/558990820.db2.gz RLSCGFZRGRIAPS-RUZDIDTESA-N 1 1 419.613 5.331 50 0 HKAAMO c1cncc(CN(Cc2ccc3c(c2)CCO3)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000067724874 558991915 /nfs/dbraw/zinc/99/19/15/558991915.db2.gz NLZSWYWYVTZSIB-DEOSSOPVSA-N 1 1 419.613 5.063 50 0 HKAAMO c1cncc(CN(Cc2ccc3c(c2)CCO3)C[C@H]2CCC[N@H+](C3CCCCC3)C2)c1 ZINC000067724879 558991815 /nfs/dbraw/zinc/99/18/15/558991815.db2.gz NLZSWYWYVTZSIB-XMMPIXPASA-N 1 1 419.613 5.063 50 0 HKAAMO CC1(C)C[C@H](C[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CCO1 ZINC000067741362 558992094 /nfs/dbraw/zinc/99/20/94/558992094.db2.gz JYUKRIOOCMSIJQ-MRXNPFEDSA-N 1 1 401.934 5.112 50 0 HKAAMO CC1(C)C[C@@H](C[N@H+]2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CCO1 ZINC000067741364 558992021 /nfs/dbraw/zinc/99/20/21/558992021.db2.gz JYUKRIOOCMSIJQ-INIZCTEOSA-N 1 1 401.934 5.112 50 0 HKAAMO COCC[N@@H+]1CCOc2c(O)cc(-c3ccc4sc5ccccc5c4c3)cc2C1 ZINC000067896504 558994551 /nfs/dbraw/zinc/99/45/51/558994551.db2.gz MVEPTRKSJYNBCB-UHFFFAOYSA-N 1 1 405.519 5.268 50 0 HKAAMO COCC[N@H+]1CCOc2c(O)cc(-c3ccc4sc5ccccc5c4c3)cc2C1 ZINC000067896504 558994552 /nfs/dbraw/zinc/99/45/52/558994552.db2.gz MVEPTRKSJYNBCB-UHFFFAOYSA-N 1 1 405.519 5.268 50 0 HKAAMO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC([C@H](O)c2cccs2)CC1 ZINC000067946614 558994897 /nfs/dbraw/zinc/99/48/97/558994897.db2.gz IZARMWAJSIMISM-FQEVSTJZSA-N 1 1 402.947 5.311 50 0 HKAAMO Cc1oc(-c2ccccc2Cl)nc1C[NH+]1CCC([C@@H](O)c2cccs2)CC1 ZINC000067946616 558994881 /nfs/dbraw/zinc/99/48/81/558994881.db2.gz IZARMWAJSIMISM-HXUWFJFHSA-N 1 1 402.947 5.311 50 0 HKAAMO C[NH+]1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CC1 ZINC000068243575 558862906 /nfs/dbraw/zinc/86/29/06/558862906.db2.gz QKKIWEILHCXECO-UHFFFAOYSA-N 1 1 421.548 5.126 50 0 in-vitro HKAAMO CCOc1cc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc(-c2ccccc2)c1OC ZINC000070040785 571254954 /nfs/dbraw/zinc/25/49/54/571254954.db2.gz YBGOZAXIGCPGMZ-FQEVSTJZSA-N 1 1 424.585 5.003 50 0 HKAAMO CCOc1cc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc(-c2ccccc2)c1OC ZINC000070040786 571254912 /nfs/dbraw/zinc/25/49/12/571254912.db2.gz YBGOZAXIGCPGMZ-HXUWFJFHSA-N 1 1 424.585 5.003 50 0 HKAAMO Fc1ccc(-c2nnc(C3CC[NH+](Cc4csc(-c5ccccc5)n4)CC3)o2)cc1 ZINC000070641636 571270885 /nfs/dbraw/zinc/27/08/85/571270885.db2.gz GHVDHTVTBXNNRP-UHFFFAOYSA-N 1 1 420.513 5.379 50 0 HKAAMO Clc1ccc(-c2n[nH]c3ccc(Nc4cc[nH+]c5ccccc45)cc32)cc1Cl ZINC000071405487 571293855 /nfs/dbraw/zinc/29/38/55/571293855.db2.gz UUOJIDKSSNQUJY-UHFFFAOYSA-N 1 1 405.288 6.829 50 0 HKAAMO CCNc1nc(Nc2ccc(NC(=O)Nc3cccc(SC)c3)cc2)cc(C)[nH+]1 ZINC000072117555 558927447 /nfs/dbraw/zinc/92/74/47/558927447.db2.gz STGVQMWUQMXVQN-UHFFFAOYSA-N 1 1 408.531 5.326 50 0 HKAAMO CSc1ccc(-c2csc(C[NH+]3CCC(NC(=O)OC(C)(C)C)CC3)n2)cc1 ZINC000072273306 558694249 /nfs/dbraw/zinc/69/42/49/558694249.db2.gz IRRHTRVKHDNRNS-UHFFFAOYSA-N 1 1 419.616 5.021 50 0 HKAAMO CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000072290444 558723220 /nfs/dbraw/zinc/72/32/20/558723220.db2.gz HRVLHIPDPIWYIQ-QMMMGPOBSA-N 1 1 404.190 5.312 50 0 HKAAMO CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl ZINC000072290445 558723359 /nfs/dbraw/zinc/72/33/59/558723359.db2.gz HRVLHIPDPIWYIQ-MRVPVSSYSA-N 1 1 404.190 5.312 50 0 HKAAMO Cc1oc(C2CC[NH+]([C@H](C)C(=O)Nc3cc(C)ccc3C)CC2)nc1-c1ccccc1 ZINC000072304926 558757286 /nfs/dbraw/zinc/75/72/86/558757286.db2.gz YCKPBRUMJGFKSE-LJQANCHMSA-N 1 1 417.553 5.473 50 0 HKAAMO Cc1oc(C2CC[NH+]([C@@H](C)C(=O)Nc3cc(C)ccc3C)CC2)nc1-c1ccccc1 ZINC000072304927 558757406 /nfs/dbraw/zinc/75/74/06/558757406.db2.gz YCKPBRUMJGFKSE-IBGZPJMESA-N 1 1 417.553 5.473 50 0 HKAAMO CCC[N@@H+](CCCc1nc2ccccc2o1)Cc1nnc(-c2ccccc2Cl)o1 ZINC000072308187 558768883 /nfs/dbraw/zinc/76/88/83/558768883.db2.gz NWGBSFIDVOVFSN-UHFFFAOYSA-N 1 1 410.905 5.376 50 0 HKAAMO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000072308894 558771654 /nfs/dbraw/zinc/77/16/54/558771654.db2.gz ITONPGMHGJITSW-NRFANRHFSA-N 1 1 410.949 5.436 50 0 HKAAMO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000072308895 558771687 /nfs/dbraw/zinc/77/16/87/558771687.db2.gz ITONPGMHGJITSW-OAQYLSRUSA-N 1 1 410.949 5.436 50 0 HKAAMO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)cs1 ZINC000072309147 559162300 /nfs/dbraw/zinc/16/23/00/559162300.db2.gz DMGXXBZWCVIINN-JOCHJYFZSA-N 1 1 419.594 5.230 50 0 HKAAMO Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)cs1 ZINC000072309148 559162278 /nfs/dbraw/zinc/16/22/78/559162278.db2.gz DMGXXBZWCVIINN-QFIPXVFZSA-N 1 1 419.594 5.230 50 0 HKAAMO CCCOc1ccc(CNc2c(C(=O)N3CCCCC3)c[nH+]c3ccccc32)cc1 ZINC000072328446 558863823 /nfs/dbraw/zinc/86/38/23/558863823.db2.gz ZABBHRWVHNJTBS-UHFFFAOYSA-N 1 1 403.526 5.262 50 0 HKAAMO O=C(c1c[nH+]c2ccccc2c1NCc1ccccc1C(F)(F)F)N1CCCCC1 ZINC000072328453 558863881 /nfs/dbraw/zinc/86/38/81/558863881.db2.gz WRUJCWUGZFRXHP-UHFFFAOYSA-N 1 1 413.443 5.492 50 0 HKAAMO O=C(c1c[nH+]c2ccccc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCCC1 ZINC000072328454 558863838 /nfs/dbraw/zinc/86/38/38/558863838.db2.gz QLDCMLWKMYMQAF-UHFFFAOYSA-N 1 1 413.443 5.492 50 0 HKAAMO O=C(c1ccc(F)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072331305 558867374 /nfs/dbraw/zinc/86/73/74/558867374.db2.gz NHMAGJDKAITOGW-UHFFFAOYSA-N 1 1 408.904 5.027 50 0 HKAAMO O=C(c1cc(F)ccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072331373 558868060 /nfs/dbraw/zinc/86/80/60/558868060.db2.gz BYGZNSRXKNYVES-UHFFFAOYSA-N 1 1 408.904 5.027 50 0 HKAAMO O=C(c1c(F)cccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072331387 558868008 /nfs/dbraw/zinc/86/80/08/558868008.db2.gz ZZJCZYWDOFQNPH-UHFFFAOYSA-N 1 1 408.904 5.027 50 0 HKAAMO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@@H+]2CCC[C@H](OC)C2)c1 ZINC000072407248 558977092 /nfs/dbraw/zinc/97/70/92/558977092.db2.gz WNJZIWJHFPFZIV-NRFANRHFSA-N 1 1 408.567 5.243 50 0 HKAAMO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@@H+]2CCC[C@@H](OC)C2)c1 ZINC000072407249 558977066 /nfs/dbraw/zinc/97/70/66/558977066.db2.gz WNJZIWJHFPFZIV-OAQYLSRUSA-N 1 1 408.567 5.243 50 0 HKAAMO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@H+](C)Cc2ccno2)c1 ZINC000072410922 558977711 /nfs/dbraw/zinc/97/77/11/558977711.db2.gz MYDXIVXZVOAJKM-UHFFFAOYSA-N 1 1 405.523 5.252 50 0 HKAAMO COc1cccc(-c2nc3cc(SC)ccc3cc2C[N@@H+](C)Cc2ccno2)c1 ZINC000072410922 558977712 /nfs/dbraw/zinc/97/77/12/558977712.db2.gz MYDXIVXZVOAJKM-UHFFFAOYSA-N 1 1 405.523 5.252 50 0 HKAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072420427 558978282 /nfs/dbraw/zinc/97/82/82/558978282.db2.gz GYXRKDKDZBRQNC-NRFANRHFSA-N 1 1 403.551 5.486 50 0 HKAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1cc2cccc(C)c2nc1-c1cccs1 ZINC000072420428 558978391 /nfs/dbraw/zinc/97/83/91/558978391.db2.gz GYXRKDKDZBRQNC-OAQYLSRUSA-N 1 1 403.551 5.486 50 0 HKAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)on1 ZINC000072421258 558978418 /nfs/dbraw/zinc/97/84/18/558978418.db2.gz CENKQUFNPDLTCK-QFIPXVFZSA-N 1 1 421.903 6.328 50 0 HKAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc3ccc(F)cc3nc2-c2cccc(Cl)c2)on1 ZINC000072421259 558978346 /nfs/dbraw/zinc/97/83/46/558978346.db2.gz CENKQUFNPDLTCK-JOCHJYFZSA-N 1 1 421.903 6.328 50 0 HKAAMO COc1cc2cc(C[N@H+](C)Cc3ccno3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072473998 558983549 /nfs/dbraw/zinc/98/35/49/558983549.db2.gz BEOMIKSQIWFFLD-UHFFFAOYSA-N 1 1 423.900 5.192 50 0 HKAAMO COc1cc2cc(C[N@@H+](C)Cc3ccno3)c(-c3cccc(Cl)c3)nc2cc1OC ZINC000072473998 558983551 /nfs/dbraw/zinc/98/35/51/558983551.db2.gz BEOMIKSQIWFFLD-UHFFFAOYSA-N 1 1 423.900 5.192 50 0 HKAAMO Cc1cccc2cc(C[N@H+]3CC[C@](O)(c4ccccc4)C3)c(-c3cccs3)nc12 ZINC000072479199 558984102 /nfs/dbraw/zinc/98/41/02/558984102.db2.gz UKKRTGBZHHNBIV-RUZDIDTESA-N 1 1 400.547 5.365 50 0 HKAAMO Cc1cccc2cc(C[N@H+]3CC[C@@](O)(c4ccccc4)C3)c(-c3cccs3)nc12 ZINC000072479200 558984110 /nfs/dbraw/zinc/98/41/10/558984110.db2.gz UKKRTGBZHHNBIV-VWLOTQADSA-N 1 1 400.547 5.365 50 0 HKAAMO COc1ccc(OC)c(-c2nc3cc(Cl)ccc3cc2C[N@H+](C)Cc2ccno2)c1 ZINC000072479578 558984076 /nfs/dbraw/zinc/98/40/76/558984076.db2.gz MQXKQSYXXTXLGX-UHFFFAOYSA-N 1 1 423.900 5.192 50 0 HKAAMO COc1ccc(OC)c(-c2nc3cc(Cl)ccc3cc2C[N@@H+](C)Cc2ccno2)c1 ZINC000072479578 558984078 /nfs/dbraw/zinc/98/40/78/558984078.db2.gz MQXKQSYXXTXLGX-UHFFFAOYSA-N 1 1 423.900 5.192 50 0 HKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCCC[C@@H]3c3nccs3)ccc2c1 ZINC000076871616 558998081 /nfs/dbraw/zinc/99/80/81/558998081.db2.gz FCVFFOAJPNHQFI-OAQYLSRUSA-N 1 1 404.539 5.422 50 0 HKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCCC[C@@H]3c3nccs3)ccc2c1 ZINC000076871616 558998082 /nfs/dbraw/zinc/99/80/82/558998082.db2.gz FCVFFOAJPNHQFI-OAQYLSRUSA-N 1 1 404.539 5.422 50 0 HKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3CCCC[C@H]3c3nccs3)ccc2c1 ZINC000076871618 558997988 /nfs/dbraw/zinc/99/79/88/558997988.db2.gz FCVFFOAJPNHQFI-NRFANRHFSA-N 1 1 404.539 5.422 50 0 HKAAMO COc1ccc2cc(-c3n[nH]cc3C[N@H+]3CCCC[C@H]3c3nccs3)ccc2c1 ZINC000076871618 558997990 /nfs/dbraw/zinc/99/79/90/558997990.db2.gz FCVFFOAJPNHQFI-NRFANRHFSA-N 1 1 404.539 5.422 50 0 HKAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1)c1cccs1 ZINC000077555913 559009221 /nfs/dbraw/zinc/00/92/21/559009221.db2.gz SSLGZKOZUXOPBQ-MRXNPFEDSA-N 1 1 414.958 5.304 50 0 HKAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1)c1cccs1 ZINC000077555920 559009155 /nfs/dbraw/zinc/00/91/55/559009155.db2.gz SSLGZKOZUXOPBQ-INIZCTEOSA-N 1 1 414.958 5.304 50 0 HKAAMO C[C@H]([NH2+]Cc1ccc(OCc2cscn2)cc1)c1nc(-c2cccnc2)cs1 ZINC000078823204 560540848 /nfs/dbraw/zinc/54/08/48/560540848.db2.gz WPJCAVPUKKYFFP-HNNXBMFYSA-N 1 1 408.552 5.091 50 0 HKAAMO C[C@@H]([NH2+]Cc1ccc(OCc2cscn2)cc1)c1nc(-c2cccnc2)cs1 ZINC000078823216 569420734 /nfs/dbraw/zinc/42/07/34/569420734.db2.gz WPJCAVPUKKYFFP-OAHLLOKOSA-N 1 1 408.552 5.091 50 0 HKAAMO CCC(=O)N1CCC[N@@H+](Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 ZINC000079016425 569424008 /nfs/dbraw/zinc/42/40/08/569424008.db2.gz MKRAPDMFYZFDMA-UHFFFAOYSA-N 1 1 413.974 5.061 50 0 HKAAMO CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)o2)cc1 ZINC000079045112 569425177 /nfs/dbraw/zinc/42/51/77/569425177.db2.gz DMPCAZGOXBJOMC-MRXNPFEDSA-N 1 1 413.477 5.134 50 0 HKAAMO CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)o2)cc1 ZINC000079045117 569425135 /nfs/dbraw/zinc/42/51/35/569425135.db2.gz DMPCAZGOXBJOMC-INIZCTEOSA-N 1 1 413.477 5.134 50 0 HKAAMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052014 569425725 /nfs/dbraw/zinc/42/57/25/569425725.db2.gz CVFSFZOCGDMFRB-GHTZIAJQSA-N 1 1 420.475 5.012 50 0 HKAAMO O=C(C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052021 569425714 /nfs/dbraw/zinc/42/57/14/569425714.db2.gz CVFSFZOCGDMFRB-RXVVDRJESA-N 1 1 420.475 5.012 50 0 HKAAMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052024 560541507 /nfs/dbraw/zinc/54/15/07/560541507.db2.gz CVFSFZOCGDMFRB-WIYYLYMNSA-N 1 1 420.475 5.012 50 0 HKAAMO O=C(C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F ZINC000079052031 569425677 /nfs/dbraw/zinc/42/56/77/569425677.db2.gz CVFSFZOCGDMFRB-NQIIRXRSSA-N 1 1 420.475 5.012 50 0 HKAAMO Cc1ccc2c(c1)nc(-c1ccc(NC(=O)C[NH+]3CCCC3)cc1)cc2-c1ccccc1 ZINC000079060675 569426282 /nfs/dbraw/zinc/42/62/82/569426282.db2.gz ZLVBAVCWYKKQCU-UHFFFAOYSA-N 1 1 421.544 5.912 50 0 HKAAMO CC(C)(C)[N@@H+](Cc1nnc(-c2ccccc2Br)o1)Cc1ccccc1 ZINC000079065306 569426603 /nfs/dbraw/zinc/42/66/03/569426603.db2.gz VRNPMOQBNHFUHC-UHFFFAOYSA-N 1 1 400.320 5.300 50 0 HKAAMO CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000079067934 569426610 /nfs/dbraw/zinc/42/66/10/569426610.db2.gz XEQXWAKJRPHZNF-PKOBYXMFSA-N 1 1 417.500 5.286 50 0 HKAAMO CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000079067940 569426617 /nfs/dbraw/zinc/42/66/17/569426617.db2.gz XEQXWAKJRPHZNF-HKUYNNGSSA-N 1 1 417.500 5.286 50 0 HKAAMO CCOc1ccccc1OC1CC[NH+]([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000079102166 569427499 /nfs/dbraw/zinc/42/74/99/569427499.db2.gz NTSJFNCWRACLEY-IBGZPJMESA-N 1 1 421.541 5.357 50 0 HKAAMO CCOc1ccccc1OC1CC[NH+]([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 ZINC000079102172 569427486 /nfs/dbraw/zinc/42/74/86/569427486.db2.gz NTSJFNCWRACLEY-LJQANCHMSA-N 1 1 421.541 5.357 50 0 HKAAMO Cc1cc(C[N@@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000084114670 568938639 /nfs/dbraw/zinc/93/86/39/568938639.db2.gz ARMRUEZRTRFRTK-UHFFFAOYSA-N 1 1 423.788 5.422 50 0 HKAAMO Cc1cc(C[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000084114670 568938641 /nfs/dbraw/zinc/93/86/41/568938641.db2.gz ARMRUEZRTRFRTK-UHFFFAOYSA-N 1 1 423.788 5.422 50 0 HKAAMO FC(F)(F)[C@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367269 568947487 /nfs/dbraw/zinc/94/74/87/568947487.db2.gz UHKBAYYJWFEDTL-ROUUACIJSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367269 568947488 /nfs/dbraw/zinc/94/74/88/568947488.db2.gz UHKBAYYJWFEDTL-ROUUACIJSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947455 /nfs/dbraw/zinc/94/74/55/568947455.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947457 /nfs/dbraw/zinc/94/74/57/568947457.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947459 /nfs/dbraw/zinc/94/74/59/568947459.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCC[N@H+](Cc2cccc(CN3CCC[C@H](C(F)(F)F)C3)c2)C1 ZINC000084367282 568947460 /nfs/dbraw/zinc/94/74/60/568947460.db2.gz UHKBAYYJWFEDTL-HDICACEKSA-N 1 1 408.430 5.235 50 0 HKAAMO Brc1ccccc1-c1nnc(C[N@H+]2CCC[C@H]2CC2CCCCC2)o1 ZINC000084514882 568950024 /nfs/dbraw/zinc/95/00/24/568950024.db2.gz NBLSVFLNVPYIJK-INIZCTEOSA-N 1 1 404.352 5.434 50 0 HKAAMO Clc1cccc(-c2noc(CC[N@H+]3CCCC[C@H]3c3nc4ccccc4o3)n2)c1 ZINC000084600287 568952440 /nfs/dbraw/zinc/95/24/40/568952440.db2.gz JEJPMZBYSWWVOI-SFHVURJKSA-N 1 1 408.889 5.301 50 0 HKAAMO Clc1cccc(-c2noc(CC[N@H+]3CCCC[C@@H]3c3nc4ccccc4o3)n2)c1 ZINC000084600288 568952391 /nfs/dbraw/zinc/95/23/91/568952391.db2.gz JEJPMZBYSWWVOI-GOSISDBHSA-N 1 1 408.889 5.301 50 0 HKAAMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)c1ccc2c(c1)nc(C)n2C ZINC000084740404 568957838 /nfs/dbraw/zinc/95/78/38/568957838.db2.gz OERSMIRFGJUCGK-VKGMXUHCSA-N 1 1 424.633 5.166 50 0 HKAAMO Cn1c(-c2ccccc2[PH+](C2CCCCC2)C2CCCCC2)cc2ccccc21 ZINC000085210720 559056525 /nfs/dbraw/zinc/05/65/25/559056525.db2.gz PFJAHDIIEPTASS-UHFFFAOYSA-N 1 1 403.550 7.618 50 0 HKAAMO CSc1ccc(/C=C2\C[N@@H+](C)C[C@@H]3C2=NN(C)[C@H]3c2ccc(SC)cc2)cc1 ZINC000085388999 568984371 /nfs/dbraw/zinc/98/43/71/568984371.db2.gz AXTUZIIIXMUDOU-AFTIPQHOSA-N 1 1 409.624 5.118 50 0 HKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651193 569005893 /nfs/dbraw/zinc/00/58/93/569005893.db2.gz BZWCLLKLDDDSPA-LJQANCHMSA-N 1 1 424.520 5.095 50 0 HKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000085651194 569005905 /nfs/dbraw/zinc/00/59/05/569005905.db2.gz BZWCLLKLDDDSPA-IBGZPJMESA-N 1 1 424.520 5.095 50 0 HKAAMO O=C(CCn1c(-c2ccccc2)cc2ccccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000085879013 569009723 /nfs/dbraw/zinc/00/97/23/569009723.db2.gz GAUQXGMJINWQCW-BJKOFHAPSA-N 1 1 415.581 5.079 50 0 biogenic HKAAMO CCCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000086048548 568749228 /nfs/dbraw/zinc/74/92/28/568749228.db2.gz JLCLROHFQFMUDR-UHFFFAOYSA-N 1 1 410.949 5.338 50 0 HKAAMO COc1cccc(-c2nc(C[N@H+]3CC=C(c4c[nH]c5ccccc54)CC3)cs2)c1 ZINC000089471382 569060986 /nfs/dbraw/zinc/06/09/86/569060986.db2.gz AEHTXNFBSLREGT-UHFFFAOYSA-N 1 1 401.535 5.589 50 0 HKAAMO COc1cccc(-c2nc(C[N@@H+]3CC=C(c4c[nH]c5ccccc54)CC3)cs2)c1 ZINC000089471382 569060987 /nfs/dbraw/zinc/06/09/87/569060987.db2.gz AEHTXNFBSLREGT-UHFFFAOYSA-N 1 1 401.535 5.589 50 0 HKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089574037 569070457 /nfs/dbraw/zinc/07/04/57/569070457.db2.gz INFSSCCIZVHUAZ-FQEVSTJZSA-N 1 1 421.544 5.951 50 0 HKAAMO C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089574037 569070458 /nfs/dbraw/zinc/07/04/58/569070458.db2.gz INFSSCCIZVHUAZ-FQEVSTJZSA-N 1 1 421.544 5.951 50 0 HKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089574038 569070418 /nfs/dbraw/zinc/07/04/18/569070418.db2.gz INFSSCCIZVHUAZ-HXUWFJFHSA-N 1 1 421.544 5.951 50 0 HKAAMO C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000089574038 569070419 /nfs/dbraw/zinc/07/04/19/569070419.db2.gz INFSSCCIZVHUAZ-HXUWFJFHSA-N 1 1 421.544 5.951 50 0 HKAAMO c1nc(-c2ccccc2)sc1CN1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089834931 569266775 /nfs/dbraw/zinc/26/67/75/569266775.db2.gz ZAJOAPUCLDCJCJ-RPWUZVMVSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000089834931 569266777 /nfs/dbraw/zinc/26/67/77/569266777.db2.gz ZAJOAPUCLDCJCJ-RPWUZVMVSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000089834931 569266778 /nfs/dbraw/zinc/26/67/78/569266778.db2.gz ZAJOAPUCLDCJCJ-RPWUZVMVSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1CN1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000089834932 569266796 /nfs/dbraw/zinc/26/67/96/569266796.db2.gz ZAJOAPUCLDCJCJ-ZEQRLZLVSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000089834932 569266798 /nfs/dbraw/zinc/26/67/98/569266798.db2.gz ZAJOAPUCLDCJCJ-ZEQRLZLVSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000089834932 569266800 /nfs/dbraw/zinc/26/68/00/569266800.db2.gz ZAJOAPUCLDCJCJ-ZEQRLZLVSA-N 1 1 403.595 5.439 50 0 HKAAMO Fc1ccc(C[N@H+]2CCCN(c3cc(C(F)(F)F)nc4ccccc43)CC2)cc1 ZINC000089866629 569267405 /nfs/dbraw/zinc/26/74/05/569267405.db2.gz RSLBCRLELMLXKJ-UHFFFAOYSA-N 1 1 403.423 5.105 50 0 HKAAMO C[C@H](NC(=O)CCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000089905563 569268344 /nfs/dbraw/zinc/26/83/44/569268344.db2.gz SVJDLEXKCPXNRJ-FQEVSTJZSA-N 1 1 421.585 5.047 50 0 HKAAMO C[C@@H](NC(=O)CCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000089905565 569268290 /nfs/dbraw/zinc/26/82/90/569268290.db2.gz SVJDLEXKCPXNRJ-HXUWFJFHSA-N 1 1 421.585 5.047 50 0 HKAAMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000089929865 569268939 /nfs/dbraw/zinc/26/89/39/569268939.db2.gz MFMUEKDIZDPSSH-GOSISDBHSA-N 1 1 412.961 5.008 50 0 HKAAMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 ZINC000089929866 569268949 /nfs/dbraw/zinc/26/89/49/569268949.db2.gz MFMUEKDIZDPSSH-SFHVURJKSA-N 1 1 412.961 5.008 50 0 HKAAMO COc1ccc(C[N@@H+](Cc2nnc(-c3ccccc3)o2)C2CCCCC2)cc1OC ZINC000095389770 568603889 /nfs/dbraw/zinc/60/38/89/568603889.db2.gz XBYBAFKVNLSEKD-UHFFFAOYSA-N 1 1 407.514 5.089 50 0 HKAAMO Cc1cccc(Oc2ccc(NC(=O)N3CCC(Cc4[nH+]ccn4C)CC3)cc2)c1 ZINC000095430997 568609003 /nfs/dbraw/zinc/60/90/03/568609003.db2.gz WRCRAOLECWUPMV-UHFFFAOYSA-N 1 1 404.514 5.007 50 0 HKAAMO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@@H](c3ccccc3)C3CCCCC3)co2)cc1 ZINC000095452666 568615440 /nfs/dbraw/zinc/61/54/40/568615440.db2.gz LEOPBOVGLCFRMU-QHCPKHFHSA-N 1 1 424.566 5.156 50 0 HKAAMO CS(=O)(=O)c1ccc(-c2nc(C[NH2+][C@H](c3ccccc3)C3CCCCC3)co2)cc1 ZINC000095452667 568615279 /nfs/dbraw/zinc/61/52/79/568615279.db2.gz LEOPBOVGLCFRMU-HSZRJFAPSA-N 1 1 424.566 5.156 50 0 HKAAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NCc1csc(C(C)(C)C)n1 ZINC000095455321 568617040 /nfs/dbraw/zinc/61/70/40/568617040.db2.gz XUFJLBAHDWLEKP-HXUWFJFHSA-N 1 1 409.603 5.005 50 0 HKAAMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NCc1csc(C(C)(C)C)n1 ZINC000095455322 568616958 /nfs/dbraw/zinc/61/69/58/568616958.db2.gz XUFJLBAHDWLEKP-FQEVSTJZSA-N 1 1 409.603 5.005 50 0 HKAAMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)CC1)CC(C)C ZINC000095459670 568619870 /nfs/dbraw/zinc/61/98/70/568619870.db2.gz ARERIIHRKBMZFD-UHFFFAOYSA-N 1 1 414.619 5.422 50 0 HKAAMO Cc1ccc2c(-c3cc4c(o3)c(C)ncc4C[NH+]3CCSCC3)cc(=O)oc2c1C ZINC000095474718 568629461 /nfs/dbraw/zinc/62/94/61/568629461.db2.gz FEDKQZMYCUPJAS-UHFFFAOYSA-N 1 1 420.534 5.075 50 0 HKAAMO Cc1ccc2c(c1)oc(=O)cc2-c1cc2c(o1)c(C)ncc2C[N@@H+](C)Cc1ccccc1 ZINC000095475512 568630087 /nfs/dbraw/zinc/63/00/87/568630087.db2.gz ZDDIYWGIPOJRSW-UHFFFAOYSA-N 1 1 424.500 5.850 50 0 HKAAMO Cc1cc2oc(=O)cc(-c3cc4c(o3)c(C)ncc4C[NH+]3CCSCC3)c2cc1C ZINC000095478165 568631558 /nfs/dbraw/zinc/63/15/58/568631558.db2.gz BIJPCSUSVPEHIB-UHFFFAOYSA-N 1 1 420.534 5.075 50 0 HKAAMO Fc1ccc(C(CCC[N@@H+]2CC=C(Oc3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000095918155 559088970 /nfs/dbraw/zinc/08/89/70/559088970.db2.gz NQMKLEUBUQOAFG-UHFFFAOYSA-N 1 1 419.515 6.546 50 0 HKAAMO FC(F)(F)COc1ccccc1C[NH2+]C1(c2ccc(Br)s2)CC1 ZINC000095941497 568662166 /nfs/dbraw/zinc/66/21/66/568662166.db2.gz JHBKDTYXUYUFEA-UHFFFAOYSA-N 1 1 406.267 5.231 50 0 HKAAMO Cc1ccc(-c2cc(-c3ccc(NC(=O)C[NH+]4CCCC4)cc3)nc3ccccc32)cc1 ZINC000095945632 568663666 /nfs/dbraw/zinc/66/36/66/568663666.db2.gz LXMTZLIMRABOEK-UHFFFAOYSA-N 1 1 421.544 5.912 50 0 HKAAMO CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)nc2ccccc12 ZINC000095945702 568663500 /nfs/dbraw/zinc/66/35/00/568663500.db2.gz CEPPBTLCWVCKRA-UHFFFAOYSA-N 1 1 421.850 5.368 50 0 HKAAMO CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)nc2ccccc12 ZINC000095945702 568663503 /nfs/dbraw/zinc/66/35/03/568663503.db2.gz CEPPBTLCWVCKRA-UHFFFAOYSA-N 1 1 421.850 5.368 50 0 HKAAMO FC(F)(F)[C@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953784 568668424 /nfs/dbraw/zinc/66/84/24/568668424.db2.gz CFRFOCRTJYWZJH-ROUUACIJSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953784 568668425 /nfs/dbraw/zinc/66/84/25/568668425.db2.gz CFRFOCRTJYWZJH-ROUUACIJSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCCN(Cc2ccccc2C[N@@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668632 /nfs/dbraw/zinc/66/86/32/568668632.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668636 /nfs/dbraw/zinc/66/86/36/568668636.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCC[N@@H+](Cc2ccccc2CN2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668637 /nfs/dbraw/zinc/66/86/37/568668637.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCC[N@H+](Cc2ccccc2CN2CCC[C@H](C(F)(F)F)C2)C1 ZINC000095953785 568668640 /nfs/dbraw/zinc/66/86/40/568668640.db2.gz CFRFOCRTJYWZJH-HDICACEKSA-N 1 1 408.430 5.235 50 0 HKAAMO Cc1ccc([C@@H](c2ccccn2)[N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)cc1 ZINC000095964443 568670561 /nfs/dbraw/zinc/67/05/61/568670561.db2.gz KWLBDSFGWMRXKZ-QHCPKHFHSA-N 1 1 405.567 5.385 50 0 HKAAMO Cc1ccc([C@@H](c2ccccn2)[N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)cc1 ZINC000095964443 568670563 /nfs/dbraw/zinc/67/05/63/568670563.db2.gz KWLBDSFGWMRXKZ-QHCPKHFHSA-N 1 1 405.567 5.385 50 0 HKAAMO Cc1ccc([C@H](c2ccccn2)[N@@H+](C)Cc2cccc(SC(=O)N(C)C)c2)cc1 ZINC000095964444 568670840 /nfs/dbraw/zinc/67/08/40/568670840.db2.gz KWLBDSFGWMRXKZ-HSZRJFAPSA-N 1 1 405.567 5.385 50 0 HKAAMO Cc1ccc([C@H](c2ccccn2)[N@H+](C)Cc2cccc(SC(=O)N(C)C)c2)cc1 ZINC000095964444 568670842 /nfs/dbraw/zinc/67/08/42/568670842.db2.gz KWLBDSFGWMRXKZ-HSZRJFAPSA-N 1 1 405.567 5.385 50 0 HKAAMO c1cc(-c2nnc(C3CC[NH+](Cc4csc(-c5ccccc5)n4)CC3)o2)cs1 ZINC000096024368 568685964 /nfs/dbraw/zinc/68/59/64/568685964.db2.gz ZLDHUUGMEWEXNH-UHFFFAOYSA-N 1 1 408.552 5.301 50 0 HKAAMO O[C@@]1(c2ccccc2)CCC[N@@H+](CCCOc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000096027087 568686721 /nfs/dbraw/zinc/68/67/21/568686721.db2.gz WCRLWBVDNJNKFA-KAYWLYCHSA-N 1 1 401.550 5.050 50 0 HKAAMO O[C@@]1(c2ccccc2)CCC[N@@H+](CCCOc2ccccc2)[C@H]1Cc1ccccc1 ZINC000096027088 568686636 /nfs/dbraw/zinc/68/66/36/568686636.db2.gz WCRLWBVDNJNKFA-RRPNLBNLSA-N 1 1 401.550 5.050 50 0 HKAAMO O[C@]1(c2ccccc2)CCC[N@@H+](CCCOc2ccccc2)[C@@H]1Cc1ccccc1 ZINC000096027089 568686585 /nfs/dbraw/zinc/68/65/85/568686585.db2.gz WCRLWBVDNJNKFA-SXOMAYOGSA-N 1 1 401.550 5.050 50 0 HKAAMO O[C@]1(c2ccccc2)CCC[N@@H+](CCCOc2ccccc2)[C@H]1Cc1ccccc1 ZINC000096027090 568686818 /nfs/dbraw/zinc/68/68/18/568686818.db2.gz WCRLWBVDNJNKFA-SVBPBHIXSA-N 1 1 401.550 5.050 50 0 HKAAMO O=C(/C(=C\c1ccccc1)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096117676 568697342 /nfs/dbraw/zinc/69/73/42/568697342.db2.gz KCPVSXNMBYCWHI-PLRJNAJWSA-N 1 1 416.952 5.225 50 0 HKAAMO CCc1cccc2c([C@@H](CCc3ccccc3)CC(=O)N3CC[NH+](CC)CC3)c[nH]c21 ZINC000096275643 568714518 /nfs/dbraw/zinc/71/45/18/568714518.db2.gz VISIBYCBNOTURQ-QHCPKHFHSA-N 1 1 417.597 5.001 50 0 HKAAMO CCc1cccc2c([C@H](CCc3ccccc3)CC(=O)N3CC[NH+](CC)CC3)c[nH]c21 ZINC000096275644 568714607 /nfs/dbraw/zinc/71/46/07/568714607.db2.gz VISIBYCBNOTURQ-HSZRJFAPSA-N 1 1 417.597 5.001 50 0 HKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)C2CCCCC2)CC1 ZINC000096276867 568715614 /nfs/dbraw/zinc/71/56/14/568715614.db2.gz NUOFSAMYRIOKPO-LJQANCHMSA-N 1 1 401.982 5.039 50 0 HKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)C2CCCCC2)CC1 ZINC000096276868 568715625 /nfs/dbraw/zinc/71/56/25/568715625.db2.gz NUOFSAMYRIOKPO-IBGZPJMESA-N 1 1 401.982 5.039 50 0 HKAAMO Cc1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C(=O)N(C)Cc3ccccc3)o2)s1 ZINC000096280608 568717957 /nfs/dbraw/zinc/71/79/57/568717957.db2.gz PDJIJZBTECACHH-UHFFFAOYSA-N 1 1 424.610 5.970 50 0 HKAAMO Cc1ccc(C[N@@H+](CCC(C)C)Cc2ccc(C(=O)Nc3ccc(C)cc3)o2)s1 ZINC000096280610 568718058 /nfs/dbraw/zinc/71/80/58/568718058.db2.gz CDWQEKCGABJFBT-UHFFFAOYSA-N 1 1 410.583 6.259 50 0 HKAAMO COc1cccc(C[N@@H+](Cc2cccn2Cc2ccccc2C)Cc2ccccc2)c1 ZINC000096299846 568723098 /nfs/dbraw/zinc/72/30/98/568723098.db2.gz QUQYVGLCDDJOLT-UHFFFAOYSA-N 1 1 410.561 6.056 50 0 HKAAMO Cc1cccc(Cn2cccc2C[N@H+](Cc2ccccc2)Cc2cc(F)cc(F)c2)c1 ZINC000096299897 568722928 /nfs/dbraw/zinc/72/29/28/568722928.db2.gz FVSGLKQLQWCXNV-UHFFFAOYSA-N 1 1 416.515 6.325 50 0 HKAAMO Cc1cccc(Cn2cccc2C[N@@H+](Cc2ccccc2)Cc2cc(F)cc(F)c2)c1 ZINC000096299897 568722931 /nfs/dbraw/zinc/72/29/31/568722931.db2.gz FVSGLKQLQWCXNV-UHFFFAOYSA-N 1 1 416.515 6.325 50 0 HKAAMO CC(=O)c1ccc2[nH]c(C)c(C[NH+](Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 ZINC000096300413 560559484 /nfs/dbraw/zinc/55/94/84/560559484.db2.gz BKPADGNJUZYEAC-UHFFFAOYSA-N 1 1 410.517 5.242 50 0 HKAAMO Clc1ccc([C@H](c2c3ccccc3[nH]c2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000096318769 559109884 /nfs/dbraw/zinc/10/98/84/559109884.db2.gz HDTNDIDIUMPNLN-RUZDIDTESA-N 1 1 402.925 5.910 50 0 HKAAMO Clc1ccc([C@@H](c2c3ccccc3[nH]c2-c2ccccc2)[NH+]2CCOCC2)cc1 ZINC000096318770 559109935 /nfs/dbraw/zinc/10/99/35/559109935.db2.gz HDTNDIDIUMPNLN-VWLOTQADSA-N 1 1 402.925 5.910 50 0 HKAAMO O=C(C[NH+]1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 ZINC000096399898 569049534 /nfs/dbraw/zinc/04/95/34/569049534.db2.gz IFAGTGSSDRZZGP-XZIKAVMCSA-N 1 1 413.565 5.296 50 0 HKAAMO CSc1ccc(/C=C2/C[N@@H+](C)C[C@@H]3C2=NN(C)[C@H]3c2ccc(SC)cc2)cc1 ZINC000096562117 568760262 /nfs/dbraw/zinc/76/02/62/568760262.db2.gz AXTUZIIIXMUDOU-CICJMKGZSA-N 1 1 409.624 5.118 50 0 HKAAMO CCCOc1ccccc1C(OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1OCCC ZINC000096576721 568761429 /nfs/dbraw/zinc/76/14/29/568761429.db2.gz JQAFVJHDQJYSII-CBQGHPETSA-N 1 1 423.597 5.995 50 0 HKAAMO CC(C)[C@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000096580310 568762281 /nfs/dbraw/zinc/76/22/81/568762281.db2.gz RZPVXNKFHKJMEL-VWLOTQADSA-N 1 1 409.533 5.130 50 0 HKAAMO CC(C)[C@@H]([NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 ZINC000096580311 568762283 /nfs/dbraw/zinc/76/22/83/568762283.db2.gz RZPVXNKFHKJMEL-RUZDIDTESA-N 1 1 409.533 5.130 50 0 HKAAMO Nc1c(C2=[NH+]N[C@H](c3ccccc3)C2)sc2nc3c(c(-c4ccccc4)c12)CCCC3 ZINC000096594014 568763567 /nfs/dbraw/zinc/76/35/67/568763567.db2.gz PRZYTYGWPJJCEX-FQEVSTJZSA-N 1 1 424.573 5.863 50 0 HKAAMO Nc1c(C2=[NH+]N[C@@H](c3ccccc3)C2)sc2nc3c(c(-c4ccccc4)c12)CCCC3 ZINC000096594015 568763497 /nfs/dbraw/zinc/76/34/97/568763497.db2.gz PRZYTYGWPJJCEX-HXUWFJFHSA-N 1 1 424.573 5.863 50 0 HKAAMO O=C(c1ccco1)[C@@H]([C@@H](c1ccc(Cl)cc1)N1CCCCC1)[NH+]1CCCCC1 ZINC000097447405 557800447 /nfs/dbraw/zinc/80/04/47/557800447.db2.gz ABBUBZLTHBIYDK-FGZHOGPDSA-N 1 1 400.950 5.197 50 0 HKAAMO O=C(c1ccco1)[C@@H]([C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)N1CCCCC1 ZINC000097447405 557800450 /nfs/dbraw/zinc/80/04/50/557800450.db2.gz ABBUBZLTHBIYDK-FGZHOGPDSA-N 1 1 400.950 5.197 50 0 HKAAMO O=C(c1ccco1)[C@H]([C@@H](c1ccc(Cl)cc1)N1CCCCC1)[NH+]1CCCCC1 ZINC000097447406 557800358 /nfs/dbraw/zinc/80/03/58/557800358.db2.gz ABBUBZLTHBIYDK-YADHBBJMSA-N 1 1 400.950 5.197 50 0 HKAAMO O=C(c1ccco1)[C@H]([C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)N1CCCCC1 ZINC000097447406 557800361 /nfs/dbraw/zinc/80/03/61/557800361.db2.gz ABBUBZLTHBIYDK-YADHBBJMSA-N 1 1 400.950 5.197 50 0 HKAAMO CC(C)C[C@@H](C(=O)OCc1ccccc1)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000097844349 569013016 /nfs/dbraw/zinc/01/30/16/569013016.db2.gz SVIBZKKBBXXPMB-SANMLTNESA-N 1 1 401.550 5.847 50 0 HKAAMO CCC[N@@H+](CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000100744249 559261597 /nfs/dbraw/zinc/26/15/97/559261597.db2.gz RJLPRFHBCYYQNW-AZGAKELHSA-N 1 1 409.614 6.286 50 0 biogenic HKAAMO CCC[N@@H+](CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 ZINC000100744251 521670535 /nfs/dbraw/zinc/67/05/35/521670535.db2.gz RJLPRFHBCYYQNW-AHWVRZQESA-N 1 1 409.614 6.286 50 0 biogenic HKAAMO c1ccc(COc2cccc(CN3CC[N@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)c2)cc1 ZINC000101646098 569008175 /nfs/dbraw/zinc/00/81/75/569008175.db2.gz VGVHPQNRDXFRDX-KAYWLYCHSA-N 1 1 404.598 5.495 50 0 HKAAMO C[C@H](c1ccccc1)n1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc2ccsc21 ZINC000103066809 560837400 /nfs/dbraw/zinc/83/74/00/560837400.db2.gz JMLLHABPWOTYDS-RTBURBONSA-N 1 1 409.599 5.306 50 0 HKAAMO C[C@H](c1ccccc1)n1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc2ccsc21 ZINC000103066811 560852925 /nfs/dbraw/zinc/85/29/25/560852925.db2.gz JMLLHABPWOTYDS-RBUKOAKNSA-N 1 1 409.599 5.306 50 0 HKAAMO COc1ccc(-c2nnc([C@@H](C)[N@@H+]3CCCCC[C@H]3c3ccc(OC)cc3)o2)cc1 ZINC000103363190 560840865 /nfs/dbraw/zinc/84/08/65/560840865.db2.gz UMCNQFZUFPNORF-VGSWGCGISA-N 1 1 407.514 5.432 50 0 HKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=S)Nc1ccc(Cl)cc1Cl ZINC000104092712 560848001 /nfs/dbraw/zinc/84/80/01/560848001.db2.gz SECHNLXDFGYFOW-DNVCBOLYSA-N 1 1 406.382 5.307 50 0 HKAAMO O[C@H](C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000104984278 569009752 /nfs/dbraw/zinc/00/97/52/569009752.db2.gz XOZTZVWOEUGXCB-ILBGXUMGSA-N 1 1 420.940 5.069 50 0 HKAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000105007769 559161988 /nfs/dbraw/zinc/16/19/88/559161988.db2.gz REACVQCBRXOSLI-KSFYIVLOSA-N 1 1 413.924 5.031 50 0 HKAAMO CC[C@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](C)O ZINC000105013040 560860228 /nfs/dbraw/zinc/86/02/28/560860228.db2.gz VITAVNHDPDJDSG-PMACEKPBSA-N 1 1 407.558 5.169 50 0 HKAAMO CC[C@@H](C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C[C@H](C)O ZINC000105013046 560860216 /nfs/dbraw/zinc/86/02/16/560860216.db2.gz VITAVNHDPDJDSG-UXHICEINSA-N 1 1 407.558 5.169 50 0 HKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000105018875 560860231 /nfs/dbraw/zinc/86/02/31/560860231.db2.gz HBDNNOHQOVOIDR-AZGAKELHSA-N 1 1 424.604 5.490 50 0 HKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3cccc(F)c3)C2)cc1 ZINC000105018879 560860238 /nfs/dbraw/zinc/86/02/38/560860238.db2.gz HBDNNOHQOVOIDR-AOYPEHQESA-N 1 1 424.604 5.490 50 0 HKAAMO Cc1ccc(C(=O)N(C[C@H]2C[N@H+](CC(C)C)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000105041660 560860559 /nfs/dbraw/zinc/86/05/59/560860559.db2.gz CRIVRBIAIWPBOR-NOZRDPDXSA-N 1 1 410.577 5.356 50 0 HKAAMO Cc1ccc(C(=O)N(C[C@@H]2C[N@H+](CC(C)C)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000105041664 560860519 /nfs/dbraw/zinc/86/05/19/560860519.db2.gz CRIVRBIAIWPBOR-ZCYQVOJMSA-N 1 1 410.577 5.356 50 0 HKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000105042040 571314334 /nfs/dbraw/zinc/31/43/34/571314334.db2.gz VBFKWXPKINHAET-OZXSUGGESA-N 1 1 415.581 5.090 50 0 HKAAMO Cc1ccccc1[C@@H]1C[N@@H+](CC(C)C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042437 560860498 /nfs/dbraw/zinc/86/04/98/560860498.db2.gz IVARIUQLHPJFMW-WIOPSUGQSA-N 1 1 410.577 5.356 50 0 HKAAMO Cc1cccc([C@@H]2C[C@@H](C(=O)N[C@H](C)c3ccccc3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000105045371 560860787 /nfs/dbraw/zinc/86/07/87/560860787.db2.gz XCHJUJCJWWCKQH-GDKKVTFASA-N 1 1 412.577 5.478 50 0 HKAAMO CC[C@H](C)NC(=O)[C@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000105046906 559162131 /nfs/dbraw/zinc/16/21/31/559162131.db2.gz SDXUVDJSRWGKQT-WMQCIHAUSA-N 1 1 416.968 5.308 50 0 HKAAMO CC[C@H](C)NC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)C[N@@H+](Cc2ccccc2Cl)C1 ZINC000105046910 559162091 /nfs/dbraw/zinc/16/20/91/559162091.db2.gz SDXUVDJSRWGKQT-IOMROCGXSA-N 1 1 416.968 5.308 50 0 HKAAMO COc1cccc([C@H]2CN(Cc3sccc3C)C[C@@H]2C[N@H+](C)C2CCCCC2)c1 ZINC000105047353 560860662 /nfs/dbraw/zinc/86/06/62/560860662.db2.gz GEQFSXMTBULMBA-XUZZJYLKSA-N 1 1 412.643 5.545 50 0 HKAAMO COc1cccc([C@H]2CN(Cc3sccc3C)C[C@@H]2C[N@@H+](C)C2CCCCC2)c1 ZINC000105047353 560860663 /nfs/dbraw/zinc/86/06/63/560860663.db2.gz GEQFSXMTBULMBA-XUZZJYLKSA-N 1 1 412.643 5.545 50 0 HKAAMO CC(=O)N(C[C@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000105050663 560861116 /nfs/dbraw/zinc/86/11/16/560861116.db2.gz JSYTXLVNJYCVFL-IXCJQBJRSA-N 1 1 418.625 5.700 50 0 HKAAMO Cc1cccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000105050941 560861054 /nfs/dbraw/zinc/86/10/54/560861054.db2.gz FPIMFSDWJNQFPX-AZGAKELHSA-N 1 1 424.604 5.490 50 0 HKAAMO Cc1cccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)C(C)C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000105050947 560861128 /nfs/dbraw/zinc/86/11/28/560861128.db2.gz FPIMFSDWJNQFPX-AOYPEHQESA-N 1 1 424.604 5.490 50 0 HKAAMO Cc1ccsc1C[N@@H+]1C[C@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000105051277 560861048 /nfs/dbraw/zinc/86/10/48/560861048.db2.gz FJUYEKXVHUDJIX-IFMALSPDSA-N 1 1 416.606 5.304 50 0 HKAAMO C[N@H+](CC(=O)N1CCC[C@@H]1c1cccs1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000105137084 560861833 /nfs/dbraw/zinc/86/18/33/560861833.db2.gz UUSIQWHBTMBJTG-ZJSXRUAMSA-N 1 1 408.542 5.272 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1cccs1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000105137084 560861835 /nfs/dbraw/zinc/86/18/35/560861835.db2.gz UUSIQWHBTMBJTG-ZJSXRUAMSA-N 1 1 408.542 5.272 50 0 HKAAMO C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@]1(C)[NH+]1CCCC1)OCO3 ZINC000106343490 560890477 /nfs/dbraw/zinc/89/04/77/560890477.db2.gz AWHYQLPXMIHKLX-DZKUTHLPSA-N 1 1 420.336 5.695 50 0 HKAAMO C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@]1(C)[NH+]1CCCC1)OCO3 ZINC000106343492 560890462 /nfs/dbraw/zinc/89/04/62/560890462.db2.gz AWHYQLPXMIHKLX-ZKCQSVRFSA-N 1 1 420.336 5.695 50 0 HKAAMO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000106345974 560890495 /nfs/dbraw/zinc/89/04/95/560890495.db2.gz GUAHHIHOYRGRSC-RJGXRXQPSA-N 1 1 403.909 5.325 50 0 HKAAMO C[N@H+]1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000106345974 560890497 /nfs/dbraw/zinc/89/04/97/560890497.db2.gz GUAHHIHOYRGRSC-RJGXRXQPSA-N 1 1 403.909 5.325 50 0 HKAAMO CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107153078 560895690 /nfs/dbraw/zinc/89/56/90/560895690.db2.gz XEQXWAKJRPHZNF-IEBWSBKVSA-N 1 1 417.500 5.286 50 0 HKAAMO CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107153081 560895724 /nfs/dbraw/zinc/89/57/24/560895724.db2.gz XEQXWAKJRPHZNF-MJGOQNOKSA-N 1 1 417.500 5.286 50 0 HKAAMO CC(C)(C)OC(=O)N1CC[NH+](CC2=C(c3ccc(Cl)cc3)CC(C)(C)CC2)CC1 ZINC000114017782 569359242 /nfs/dbraw/zinc/35/92/42/569359242.db2.gz ZGQXNVGCEUEJOC-UHFFFAOYSA-N 1 1 419.009 5.856 50 0 HKAAMO O[C@H](C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1)c1ccccc1 ZINC000169677100 560765286 /nfs/dbraw/zinc/76/52/86/560765286.db2.gz XOZTZVWOEUGXCB-UKILVPOCSA-N 1 1 420.940 5.069 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000169677302 569125357 /nfs/dbraw/zinc/12/53/57/569125357.db2.gz NTNBWGVUMLAPRI-NTKDMRAZSA-N 1 1 423.988 5.509 50 0 HKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1Cl ZINC000169677628 560765328 /nfs/dbraw/zinc/76/53/28/560765328.db2.gz REACVQCBRXOSLI-OPAMFIHVSA-N 1 1 413.924 5.031 50 0 HKAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000169677708 569125409 /nfs/dbraw/zinc/12/54/09/569125409.db2.gz ZGONRFLXCAMTJX-WZONZLPQSA-N 1 1 409.961 5.201 50 0 HKAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169678937 569126548 /nfs/dbraw/zinc/12/65/48/569126548.db2.gz ARIVBRWTBFOYTK-WIOPSUGQSA-N 1 1 410.627 5.453 50 0 HKAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169679892 569127074 /nfs/dbraw/zinc/12/70/74/569127074.db2.gz MPLTXDWSYRTIGS-UKILVPOCSA-N 1 1 424.654 5.762 50 0 HKAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2ccc(C)cc2)C[C@@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000169679922 569127060 /nfs/dbraw/zinc/12/70/60/569127060.db2.gz JSYTXLVNJYCVFL-XTEPFMGCSA-N 1 1 418.625 5.700 50 0 HKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(C(=O)C(C)C)C(C)C)[C@@H](c2cccc(F)c2)C1 ZINC000169679925 569126821 /nfs/dbraw/zinc/12/68/21/569126821.db2.gz FJUYEKXVHUDJIX-RBBKRZOGSA-N 1 1 416.606 5.304 50 0 HKAAMO CC1(C)C=C(C[N@H+]2CCc3ccccc3C2)c2ccccc2N1C(=O)c1ccccc1 ZINC000169681478 569127472 /nfs/dbraw/zinc/12/74/72/569127472.db2.gz WSRARBWLKLAVQZ-UHFFFAOYSA-N 1 1 408.545 5.567 50 0 HKAAMO Cc1ccc2c(C[NH2+][C@H](c3nc4ccccc4n3C)c3ccccc3)ccc(O)c2n1 ZINC000170616908 569247590 /nfs/dbraw/zinc/24/75/90/569247590.db2.gz SLRZRXOQDCAKEB-DEOSSOPVSA-N 1 1 408.505 5.015 50 0 HKAAMO Cc1ccc2c(C[NH2+][C@@H](c3nc4ccccc4n3C)c3ccccc3)ccc(O)c2n1 ZINC000170616909 569247603 /nfs/dbraw/zinc/24/76/03/569247603.db2.gz SLRZRXOQDCAKEB-XMMPIXPASA-N 1 1 408.505 5.015 50 0 HKAAMO C[N@H+]1CCC[C@H]1Cc1c[nH]c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc12 ZINC000201137714 569359600 /nfs/dbraw/zinc/35/96/00/569359600.db2.gz UXUFUAYZSLSBDA-VWLOTQADSA-N 1 1 409.577 6.011 50 0 HKAAMO CCSC[C@@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000206792203 560747737 /nfs/dbraw/zinc/74/77/37/560747737.db2.gz AOYROIJWBMCHTC-INIZCTEOSA-N 1 1 416.418 5.207 50 0 HKAAMO CCSC[C@H]1CCC[N@H+]1C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000206792251 560747772 /nfs/dbraw/zinc/74/77/72/560747772.db2.gz AOYROIJWBMCHTC-MRXNPFEDSA-N 1 1 416.418 5.207 50 0 HKAAMO CC(C)c1ccc(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000220964912 568509273 /nfs/dbraw/zinc/50/92/73/568509273.db2.gz UZBSCHBBALXWDE-UHFFFAOYSA-N 1 1 412.577 5.400 50 0 HKAAMO Cc1cc(C)c(C(=O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(C)c1 ZINC000220964997 568509263 /nfs/dbraw/zinc/50/92/63/568509263.db2.gz PTUXTVOTWKMJDF-UHFFFAOYSA-N 1 1 412.577 5.202 50 0 HKAAMO FC(F)(F)[C@@H]1CCCN(Cc2ccccc2C[N@H+]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000222118322 569039798 /nfs/dbraw/zinc/03/97/98/569039798.db2.gz CFRFOCRTJYWZJH-QZTJIDSGSA-N 1 1 408.430 5.235 50 0 HKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000225399830 568634151 /nfs/dbraw/zinc/63/41/51/568634151.db2.gz RHRFBNLAPOQNJE-OFVILXPXSA-N 1 1 415.512 5.008 50 0 HKAAMO O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689004 568778886 /nfs/dbraw/zinc/77/88/86/568778886.db2.gz BJLGJQUJVYEJFL-UHFFFAOYSA-N 1 1 420.553 5.217 50 0 HKAAMO O=C(CCc1c(Cl)cccc1Cl)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689082 568778852 /nfs/dbraw/zinc/77/88/52/568778852.db2.gz FYMAZDIERFUDSF-UHFFFAOYSA-N 1 1 423.409 5.037 50 0 HKAAMO O=C(c1ccc(-c2cccs2)cc1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689230 568779061 /nfs/dbraw/zinc/77/90/61/568779061.db2.gz RDRDHGPAUNUQAD-UHFFFAOYSA-N 1 1 408.592 5.140 50 0 HKAAMO O=C(C[N@@H+]1CC[C@@H](c2ccccc2)C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000227144431 568699477 /nfs/dbraw/zinc/69/94/77/568699477.db2.gz NMVDDTWZIMUWJQ-GOSISDBHSA-N 1 1 420.965 5.959 50 0 HKAAMO O=C(C[N@H+]1CC[C@@H](c2ccccc2)C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000227144431 568699482 /nfs/dbraw/zinc/69/94/82/568699482.db2.gz NMVDDTWZIMUWJQ-GOSISDBHSA-N 1 1 420.965 5.959 50 0 HKAAMO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000227144436 568699558 /nfs/dbraw/zinc/69/95/58/568699558.db2.gz NMVDDTWZIMUWJQ-SFHVURJKSA-N 1 1 420.965 5.959 50 0 HKAAMO O=C(C[N@H+]1CC[C@H](c2ccccc2)C1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000227144436 568699562 /nfs/dbraw/zinc/69/95/62/568699562.db2.gz NMVDDTWZIMUWJQ-SFHVURJKSA-N 1 1 420.965 5.959 50 0 HKAAMO FC(F)(F)[C@@H]1CCCN(Cc2cccc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000229706359 569040571 /nfs/dbraw/zinc/04/05/71/569040571.db2.gz UHKBAYYJWFEDTL-QZTJIDSGSA-N 1 1 408.430 5.235 50 0 HKAAMO FC(F)(F)[C@@H]1CCCN(Cc2cccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)c2)C1 ZINC000229706359 569040572 /nfs/dbraw/zinc/04/05/72/569040572.db2.gz UHKBAYYJWFEDTL-QZTJIDSGSA-N 1 1 408.430 5.235 50 0 HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]12 ZINC000229863187 557751905 /nfs/dbraw/zinc/75/19/05/557751905.db2.gz JZPFBQTVTHEIAT-TVKXAPEFSA-N 1 1 418.666 5.327 50 0 HKAAMO c1nc(-c2ccccc2)sc1CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000229980697 568716323 /nfs/dbraw/zinc/71/63/23/568716323.db2.gz ZAJOAPUCLDCJCJ-BJKOFHAPSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000229980697 568716325 /nfs/dbraw/zinc/71/63/25/568716325.db2.gz ZAJOAPUCLDCJCJ-BJKOFHAPSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 ZINC000229980697 568716327 /nfs/dbraw/zinc/71/63/27/568716327.db2.gz ZAJOAPUCLDCJCJ-BJKOFHAPSA-N 1 1 403.595 5.439 50 0 HKAAMO Cc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000230115983 568847718 /nfs/dbraw/zinc/84/77/18/568847718.db2.gz MTWFDWYCWJVQHA-WZONZLPQSA-N 1 1 409.961 5.201 50 0 HKAAMO Cc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000230118084 568847723 /nfs/dbraw/zinc/84/77/23/568847723.db2.gz AWNLMWISWSJOFI-PXDATVDWSA-N 1 1 403.570 5.164 50 0 HKAAMO Cc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000230118123 568847689 /nfs/dbraw/zinc/84/76/89/568847689.db2.gz WDAULNIXMGCADE-PXDATVDWSA-N 1 1 403.570 5.164 50 0 HKAAMO c1nc(-c2ccccc2)sc1CN1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000242324349 569369897 /nfs/dbraw/zinc/36/98/97/569369897.db2.gz ZAJOAPUCLDCJCJ-DNQXCXABSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000242324349 569369899 /nfs/dbraw/zinc/36/98/99/569369899.db2.gz ZAJOAPUCLDCJCJ-DNQXCXABSA-N 1 1 403.595 5.439 50 0 HKAAMO c1nc(-c2ccccc2)sc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 ZINC000242324349 569369901 /nfs/dbraw/zinc/36/99/01/569369901.db2.gz ZAJOAPUCLDCJCJ-DNQXCXABSA-N 1 1 403.595 5.439 50 0 HKAAMO CCn1c2ccccc2c2cc(CN3CC[N@H+]4CCC[C@H]4[C@@H]3C3CCCCC3)ccc21 ZINC000243956721 569370158 /nfs/dbraw/zinc/37/01/58/569370158.db2.gz CCPMAALZHMJSHK-NSOVKSMOSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCN4CCC[C@H]4[C@@H]3C3CCCCC3)ccc21 ZINC000243956721 569370160 /nfs/dbraw/zinc/37/01/60/569370160.db2.gz CCPMAALZHMJSHK-NSOVKSMOSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCN4CCC[C@H]4[C@@H]3C3CCCCC3)ccc21 ZINC000243956721 569370161 /nfs/dbraw/zinc/37/01/61/569370161.db2.gz CCPMAALZHMJSHK-NSOVKSMOSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(CN3CC[N@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)ccc21 ZINC000243956722 569370085 /nfs/dbraw/zinc/37/00/85/569370085.db2.gz CCPMAALZHMJSHK-VSGBNLITSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCN4CCC[C@@H]4[C@H]3C3CCCCC3)ccc21 ZINC000243956722 569370086 /nfs/dbraw/zinc/37/00/86/569370086.db2.gz CCPMAALZHMJSHK-VSGBNLITSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCN4CCC[C@@H]4[C@H]3C3CCCCC3)ccc21 ZINC000243956722 569370087 /nfs/dbraw/zinc/37/00/87/569370087.db2.gz CCPMAALZHMJSHK-VSGBNLITSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(CN3CC[N@H+]4CCC[C@H]4[C@H]3C3CCCCC3)ccc21 ZINC000243956723 569370136 /nfs/dbraw/zinc/37/01/36/569370136.db2.gz CCPMAALZHMJSHK-WUFINQPMSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@@H+]3CCN4CCC[C@H]4[C@H]3C3CCCCC3)ccc21 ZINC000243956723 569370138 /nfs/dbraw/zinc/37/01/38/569370138.db2.gz CCPMAALZHMJSHK-WUFINQPMSA-N 1 1 415.625 6.043 50 0 HKAAMO CCn1c2ccccc2c2cc(C[N@H+]3CCN4CCC[C@H]4[C@H]3C3CCCCC3)ccc21 ZINC000243956723 569370140 /nfs/dbraw/zinc/37/01/40/569370140.db2.gz CCPMAALZHMJSHK-WUFINQPMSA-N 1 1 415.625 6.043 50 0 HKAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000245280036 571222766 /nfs/dbraw/zinc/22/27/66/571222766.db2.gz MPLTXDWSYRTIGS-ZCYQVOJMSA-N 1 1 424.654 5.762 50 0 HKAAMO CC(C)C(=O)N(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000245281227 571222711 /nfs/dbraw/zinc/22/27/11/571222711.db2.gz WFRIRJWMWLELPG-BVAGGSTKSA-N 1 1 421.629 5.058 50 0 HKAAMO CC(C)C(=O)N(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000245281229 571222557 /nfs/dbraw/zinc/22/25/57/571222557.db2.gz WFRIRJWMWLELPG-OZXSUGGESA-N 1 1 421.629 5.058 50 0 HKAAMO Cc1cccc(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000245281439 571222718 /nfs/dbraw/zinc/22/27/18/571222718.db2.gz ZGONRFLXCAMTJX-JPYJTQIMSA-N 1 1 409.961 5.201 50 0 HKAAMO Cc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000245325567 571224819 /nfs/dbraw/zinc/22/48/19/571224819.db2.gz AWNLMWISWSJOFI-BWKNWUBXSA-N 1 1 403.570 5.164 50 0 HKAAMO COc1cccc([C@H]2CN(Cc3sccc3C)C[C@H]2C[N@H+](C)C2CCCCC2)c1 ZINC000245326583 571224987 /nfs/dbraw/zinc/22/49/87/571224987.db2.gz GEQFSXMTBULMBA-ZJSXRUAMSA-N 1 1 412.643 5.545 50 0 HKAAMO COc1cccc([C@H]2CN(Cc3sccc3C)C[C@H]2C[N@@H+](C)C2CCCCC2)c1 ZINC000245326583 571224989 /nfs/dbraw/zinc/22/49/89/571224989.db2.gz GEQFSXMTBULMBA-ZJSXRUAMSA-N 1 1 412.643 5.545 50 0 HKAAMO C[N@@H+](CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)[C@H]1CCCc2ccccc21 ZINC000247995563 559258924 /nfs/dbraw/zinc/25/89/24/559258924.db2.gz MPKOXKGPBIYWGW-UGKGYDQZSA-N 1 1 419.594 5.012 50 0 HKAAMO CC(=O)N(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1ccc(C)cc1)C1CCCCC1 ZINC000248051999 559261076 /nfs/dbraw/zinc/26/10/76/559261076.db2.gz ARIVBRWTBFOYTK-DHLKQENFSA-N 1 1 410.627 5.453 50 0 HKAAMO Cc1ccccc1[C@H]1C[N@@H+](CC(C)C)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248077597 559261883 /nfs/dbraw/zinc/26/18/83/559261883.db2.gz IVARIUQLHPJFMW-DHLKQENFSA-N 1 1 410.577 5.356 50 0 HKAAMO Cc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000248091721 559262061 /nfs/dbraw/zinc/26/20/61/559262061.db2.gz MTWFDWYCWJVQHA-JPYJTQIMSA-N 1 1 409.961 5.201 50 0 HKAAMO Cc1ccc(C)c(C2=NN(C(=O)C[N@@H+]3CCCC[C@H]3C)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000248100166 559263229 /nfs/dbraw/zinc/26/32/29/559263229.db2.gz NTNBWGVUMLAPRI-DVECYGJZSA-N 1 1 423.988 5.509 50 0 HKAAMO CCC(=O)N(CC[C@]1(c2ccccc2)C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1ccc(OC)cc1 ZINC000248106010 559262584 /nfs/dbraw/zinc/26/25/84/559262584.db2.gz FWOQAZJKWCARFG-LOYIFYEOSA-N 1 1 422.613 5.122 50 0 HKAAMO CCC(=O)N(CC[C@]1(c2ccccc2)C[C@H](C)[N@@H+](C)C[C@H]1C)Cc1ccc(OC)cc1 ZINC000248106017 559262563 /nfs/dbraw/zinc/26/25/63/559262563.db2.gz FWOQAZJKWCARFG-VHSZZVNMSA-N 1 1 422.613 5.122 50 0 HKAAMO C[N@@H+]1C[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000248109551 559262580 /nfs/dbraw/zinc/26/25/80/559262580.db2.gz GUAHHIHOYRGRSC-YTFSRNRJSA-N 1 1 403.909 5.325 50 0 HKAAMO C[N@H+]1C[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000248109551 559262581 /nfs/dbraw/zinc/26/25/81/559262581.db2.gz GUAHHIHOYRGRSC-YTFSRNRJSA-N 1 1 403.909 5.325 50 0 HKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc[nH]2)C[C@H]1CN(C(=O)c1ccccc1)C(C)C ZINC000248116119 569015039 /nfs/dbraw/zinc/01/50/39/569015039.db2.gz VBFKWXPKINHAET-JYFHCDHNSA-N 1 1 415.581 5.090 50 0 HKAAMO Cc1cccc([C@@H]2C[C@H](C(=O)N[C@H](C)c3ccccc3)C[N@H+](Cc3ccccc3)C2)c1 ZINC000248119774 559264217 /nfs/dbraw/zinc/26/42/17/559264217.db2.gz XCHJUJCJWWCKQH-XCRWMPKNSA-N 1 1 412.577 5.478 50 0 HKAAMO Cc1ccc(C(=O)[C@@H]2C[N@H+](C)[C@H](c3cccs3)[C@H]2C(=O)c2ccc(C)cc2)cc1 ZINC000248161049 559265599 /nfs/dbraw/zinc/26/55/99/559265599.db2.gz XNDXEIYARWEMSV-AKIFATBCSA-N 1 1 403.547 5.350 50 0 HKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000248195473 569371514 /nfs/dbraw/zinc/37/15/14/569371514.db2.gz PDXVYZCYGBPUAD-GIFPIDKJSA-N 1 1 413.605 6.889 50 0 HKAAMO CCCCC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000248195474 569371466 /nfs/dbraw/zinc/37/14/66/569371466.db2.gz PDXVYZCYGBPUAD-GKQHHHCTSA-N 1 1 413.605 6.889 50 0 HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@@H]12 ZINC000248330071 559270722 /nfs/dbraw/zinc/27/07/22/559270722.db2.gz FGNDTNHMDIFKKW-CQKWZPGWSA-N 1 1 418.666 5.183 50 0 HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@@H]12 ZINC000248330073 559270720 /nfs/dbraw/zinc/27/07/20/559270720.db2.gz FGNDTNHMDIFKKW-JABRLBJMSA-N 1 1 418.666 5.183 50 0 HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@H]12 ZINC000248330076 559270706 /nfs/dbraw/zinc/27/07/06/559270706.db2.gz FGNDTNHMDIFKKW-LYGWVOHZSA-N 1 1 418.666 5.183 50 0 HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@H]12 ZINC000248330078 559270716 /nfs/dbraw/zinc/27/07/16/559270716.db2.gz FGNDTNHMDIFKKW-ZQWZWNDSSA-N 1 1 418.666 5.183 50 0 HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@H]12 ZINC000248333414 559270677 /nfs/dbraw/zinc/27/06/77/559270677.db2.gz JZPFBQTVTHEIAT-APAYAGTCSA-N 1 1 418.666 5.327 50 0 HKAAMO CCCC[NH+](CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@@H]12 ZINC000248333416 559270695 /nfs/dbraw/zinc/27/06/95/559270695.db2.gz JZPFBQTVTHEIAT-HEJCWENXSA-N 1 1 418.666 5.327 50 0 HKAAMO CSc1ccc(/C=C2/C[N@@H+](C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000252591134 569295511 /nfs/dbraw/zinc/29/55/11/569295511.db2.gz AXTUZIIIXMUDOU-QEVXCNPWSA-N 1 1 409.624 5.118 50 0 HKAAMO CSc1ccc(/C=C2\C[N@@H+](C)C[C@@H]3C2=NN(C)[C@@H]3c2ccc(SC)cc2)cc1 ZINC000252591137 569295497 /nfs/dbraw/zinc/29/54/97/569295497.db2.gz AXTUZIIIXMUDOU-UXVSBZDTSA-N 1 1 409.624 5.118 50 0 HKAAMO CC(C)n1cc(CCCC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000253410165 569366661 /nfs/dbraw/zinc/36/66/61/569366661.db2.gz MXCDFKBAUBOGKK-LADGPHEKSA-N 1 1 409.618 5.268 50 0 biogenic HKAAMO O=C(Nc1cccnc1SC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Cl)cc1 ZINC000253410888 569366631 /nfs/dbraw/zinc/36/66/31/569366631.db2.gz NXHAKVGXQVEYOV-FXAWDEMLSA-N 1 1 415.990 5.344 50 0 biogenic HKAAMO FC(F)(F)c1ccc(-c2ccc(C[NH+]3CCN(Cc4ccccc4)CC3)cc2)nc1 ZINC000263639936 569380872 /nfs/dbraw/zinc/38/08/72/569380872.db2.gz PEAHZNHGCACXPK-UHFFFAOYSA-N 1 1 411.471 5.085 50 0 HKAAMO NC(=O)[C@@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1cccc(Br)c1 ZINC000328590728 569415081 /nfs/dbraw/zinc/41/50/81/569415081.db2.gz GYAKHRPKVIDTFE-CVEARBPZSA-N 1 1 424.136 5.065 50 0 HKAAMO NC(=O)[C@@H]([NH2+][C@H]1CCc2c1cccc2Br)c1cccc(Br)c1 ZINC000328590729 569415053 /nfs/dbraw/zinc/41/50/53/569415053.db2.gz GYAKHRPKVIDTFE-HOTGVXAUSA-N 1 1 424.136 5.065 50 0 HKAAMO NC(=O)[C@H]([NH2+][C@@H]1CCc2c1cccc2Br)c1cccc(Br)c1 ZINC000328590730 569415010 /nfs/dbraw/zinc/41/50/10/569415010.db2.gz GYAKHRPKVIDTFE-HZPDHXFCSA-N 1 1 424.136 5.065 50 0 HKAAMO NC(=O)[C@H]([NH2+][C@H]1CCc2c1cccc2Br)c1cccc(Br)c1 ZINC000328590731 569414976 /nfs/dbraw/zinc/41/49/76/569414976.db2.gz GYAKHRPKVIDTFE-JKSUJKDBSA-N 1 1 424.136 5.065 50 0 HKAAMO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(Br)c2cccnc12 ZINC000328593453 569415576 /nfs/dbraw/zinc/41/55/76/569415576.db2.gz VCPVNTILNYNUQP-UHFFFAOYSA-N 1 1 407.315 5.019 50 0 HKAAMO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc(Br)c2cccnc12 ZINC000328593453 569415577 /nfs/dbraw/zinc/41/55/77/569415577.db2.gz VCPVNTILNYNUQP-UHFFFAOYSA-N 1 1 407.315 5.019 50 0 HKAAMO CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@@H]5C[C@@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)cc21 ZINC000409414209 560723292 /nfs/dbraw/zinc/72/32/92/560723292.db2.gz IFQVDHKHKVDYQC-OUJSJNLKSA-N 1 1 417.597 5.257 50 0 HKAAMO CC(C)N(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000524730279 559178439 /nfs/dbraw/zinc/17/84/39/559178439.db2.gz DAWFPXPUEOSKDZ-MDNUFGMLSA-N 1 1 413.631 5.031 50 0 biogenic HKAAMO CC(C)N(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000524730280 559178449 /nfs/dbraw/zinc/17/84/49/559178449.db2.gz DAWFPXPUEOSKDZ-WWNPGLIZSA-N 1 1 413.631 5.031 50 0 biogenic HKAAMO