smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C1N(CC[NH+]2CCCCC2)c2ccccc2[N@@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003880223 845044814 /nfs/dbraw/zinc/04/48/14/845044814.db2.gz ZYNPSWQUEBAETK-UHFFFAOYSA-N 2 2 420.601 4.194 50 0 HIAALP N=C1N(CC[NH+]2CCCCC2)c2ccccc2[N@H+]1CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003880223 845044824 /nfs/dbraw/zinc/04/48/24/845044824.db2.gz ZYNPSWQUEBAETK-UHFFFAOYSA-N 2 2 420.601 4.194 50 0 HIAALP COc1ccc(-n2cc(C[NH2+]CCCn3cc[nH+]c3)c(-c3cccc(F)c3)n2)cc1 ZINC000012306859 845867250 /nfs/dbraw/zinc/86/72/50/845867250.db2.gz QVTUDHZHEGJPFN-UHFFFAOYSA-N 2 2 405.477 4.063 50 0 HIAALP Cc1cccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000012449444 845871446 /nfs/dbraw/zinc/87/14/46/845871446.db2.gz AIZTVZTTXBRUDY-UHFFFAOYSA-N 3 2 406.618 4.198 50 0 HIAALP Cc1cccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000012449444 845871450 /nfs/dbraw/zinc/87/14/50/845871450.db2.gz AIZTVZTTXBRUDY-UHFFFAOYSA-N 3 2 406.618 4.198 50 0 HIAALP CCOc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1cccc(Cl)c1 ZINC000040720281 520712675 /nfs/dbraw/zinc/71/26/75/520712675.db2.gz BGRBRUBMHJPHDB-UHFFFAOYSA-N 2 2 418.965 4.130 50 0 HIAALP COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)cc1 ZINC000042917348 523139676 /nfs/dbraw/zinc/13/96/76/523139676.db2.gz KFEVVEDGULOEOQ-LJQANCHMSA-N 2 2 404.514 4.244 50 0 HIAALP COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)cc1 ZINC000042917348 523139686 /nfs/dbraw/zinc/13/96/86/523139686.db2.gz KFEVVEDGULOEOQ-LJQANCHMSA-N 2 2 404.514 4.244 50 0 HIAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000010314045 557859499 /nfs/dbraw/zinc/85/94/99/557859499.db2.gz JVKMEACIFPHRAF-UHFFFAOYSA-N 2 2 403.885 4.443 50 0 HIAALP Cc1nn(C)c(Cl)c1C[N@@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011937683 558301396 /nfs/dbraw/zinc/30/13/96/558301396.db2.gz ICPDETSRCNDUQG-UHFFFAOYSA-N 2 2 416.013 4.434 50 0 HIAALP Cc1nn(C)c(Cl)c1C[N@H+](Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011937683 558301399 /nfs/dbraw/zinc/30/13/99/558301399.db2.gz ICPDETSRCNDUQG-UHFFFAOYSA-N 2 2 416.013 4.434 50 0 HIAALP COc1ccc(C[NH+]2CCC([NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000019889050 558302377 /nfs/dbraw/zinc/30/23/77/558302377.db2.gz WIDPDFCJYLWUFS-SFTDATJTSA-N 2 2 424.585 4.348 50 0 HIAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1C ZINC000012317447 558380877 /nfs/dbraw/zinc/38/08/77/558380877.db2.gz GADAAJADYMUHKV-FQEVSTJZSA-N 2 2 406.505 4.385 50 0 HIAALP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1C ZINC000012317447 558380879 /nfs/dbraw/zinc/38/08/79/558380879.db2.gz GADAAJADYMUHKV-FQEVSTJZSA-N 2 2 406.505 4.385 50 0 HIAALP Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000012449141 558415920 /nfs/dbraw/zinc/41/59/20/558415920.db2.gz HWEKKQQOZKKSEJ-QHCPKHFHSA-N 2 2 423.511 4.177 50 0 HIAALP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000021702680 558445931 /nfs/dbraw/zinc/44/59/31/558445931.db2.gz HYWBGLHMOCPVLO-WOJBJXKFSA-N 2 2 409.574 4.149 50 0 HIAALP O=C(Cn1ccc2c1cc[nH+]c2SCc1ccccc1)NCC[NH+]1CCCCCC1 ZINC000033172279 558900993 /nfs/dbraw/zinc/90/09/93/558900993.db2.gz GSYOGHXHIGNLHF-UHFFFAOYSA-N 2 2 422.598 4.321 50 0 HIAALP C[N@H+](C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058266318 558915842 /nfs/dbraw/zinc/91/58/42/558915842.db2.gz WCDBPWHDWTUPDL-OAQYLSRUSA-N 2 2 419.491 4.203 50 0 HIAALP C[N@@H+](C[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058266318 558915846 /nfs/dbraw/zinc/91/58/46/558915846.db2.gz WCDBPWHDWTUPDL-OAQYLSRUSA-N 2 2 419.491 4.203 50 0 HIAALP C[C@@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000097165686 558998543 /nfs/dbraw/zinc/99/85/43/558998543.db2.gz AAFXHRCQFMFBQR-QGZVFWFLSA-N 2 2 423.536 4.257 50 0 HIAALP C[C@@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903312 559088806 /nfs/dbraw/zinc/08/88/06/559088806.db2.gz BHBWNYBKKMRJJJ-SQJMNOBHSA-N 2 2 423.576 4.099 50 0 HIAALP C(=C1\CCC=C1[NH+]1CCOCC1)\c1ccc(/C=C2\CCC=C2[NH+]2CCOCC2)cc1 ZINC000002066735 560584194 /nfs/dbraw/zinc/58/41/94/560584194.db2.gz VXFBQRRBCNVMGF-BLVCXSLXSA-N 2 2 404.554 4.473 50 0 HIAALP COc1cc(Br)cc(C[NH2+]CCC[NH+](C)C)c1OCc1ccccc1 ZINC000010435608 568416281 /nfs/dbraw/zinc/41/62/81/568416281.db2.gz FKHWXPKXOBQCHV-UHFFFAOYSA-N 2 2 407.352 4.078 50 0 HIAALP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095945471 568663607 /nfs/dbraw/zinc/66/36/07/568663607.db2.gz OVCPNPRBEQLVDK-NQIIRXRSSA-N 2 2 402.583 4.028 50 0 HIAALP CSc1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132428 849975348 /nfs/dbraw/zinc/97/53/48/849975348.db2.gz LGPOYAFFIWSAFG-SFHVURJKSA-N 2 2 405.011 4.238 50 0 HIAALP CSc1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132428 849975354 /nfs/dbraw/zinc/97/53/54/849975354.db2.gz LGPOYAFFIWSAFG-SFHVURJKSA-N 2 2 405.011 4.238 50 0 HIAALP CSc1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132428 849975361 /nfs/dbraw/zinc/97/53/61/849975361.db2.gz LGPOYAFFIWSAFG-SFHVURJKSA-N 2 2 405.011 4.238 50 0 HIAALP CSc1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132428 849975366 /nfs/dbraw/zinc/97/53/66/849975366.db2.gz LGPOYAFFIWSAFG-SFHVURJKSA-N 2 2 405.011 4.238 50 0 HIAALP Cc1cccc(NC(=O)C[NH+]2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1C ZINC000008156375 132327928 /nfs/dbraw/zinc/32/79/28/132327928.db2.gz YUFVPOSSSBFYLJ-UHFFFAOYSA-N 2 2 408.933 4.266 50 0 HIAALP OCC[NH2+]CC[NH2+]Cc1c(OCc2c(Cl)cccc2Cl)ccc2ccccc21 ZINC000040720112 527554018 /nfs/dbraw/zinc/55/40/18/527554018.db2.gz NDDGVIOOZBBBCH-UHFFFAOYSA-N 2 2 419.352 4.397 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000020206542 558346852 /nfs/dbraw/zinc/34/68/52/558346852.db2.gz LFNBPRDTKLMFSE-UHFFFAOYSA-N 2 2 408.521 4.213 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000020206542 558346854 /nfs/dbraw/zinc/34/68/54/558346854.db2.gz LFNBPRDTKLMFSE-UHFFFAOYSA-N 2 2 408.521 4.213 50 0 HIAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874950 558418861 /nfs/dbraw/zinc/41/88/61/558418861.db2.gz RCRVFTILCYELKJ-UHFFFAOYSA-N 2 2 418.965 4.048 50 0 HIAALP CCn1cc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746453 558458356 /nfs/dbraw/zinc/45/83/56/558458356.db2.gz HVKOIJIACVOFBB-LJQANCHMSA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746453 558458357 /nfs/dbraw/zinc/45/83/57/558458357.db2.gz HVKOIJIACVOFBB-LJQANCHMSA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746453 558458359 /nfs/dbraw/zinc/45/83/59/558458359.db2.gz HVKOIJIACVOFBB-LJQANCHMSA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746453 558458361 /nfs/dbraw/zinc/45/83/61/558458361.db2.gz HVKOIJIACVOFBB-LJQANCHMSA-N 2 2 408.512 4.308 50 0 HIAALP O=C(C1CC[NH+](CC2CCCCC2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000004725551 558780750 /nfs/dbraw/zinc/78/07/50/558780750.db2.gz WOHOIOFREORMBQ-KPKJPENVSA-N 2 2 409.618 4.136 50 0 HIAALP Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000012604475 568870747 /nfs/dbraw/zinc/87/07/47/568870747.db2.gz ZNXIAFPARHKGBB-QFIPXVFZSA-N 2 2 406.505 4.065 50 0 HIAALP C[N@H+](C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000083877514 568922177 /nfs/dbraw/zinc/92/21/77/568922177.db2.gz WGRQJPWMBBJKPT-SANMLTNESA-N 2 2 415.581 4.266 50 0 HIAALP C[N@@H+](C[C@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000083877514 568922179 /nfs/dbraw/zinc/92/21/79/568922179.db2.gz WGRQJPWMBBJKPT-SANMLTNESA-N 2 2 415.581 4.266 50 0 HIAALP Cc1ccccc1C[N@@H+](Cc1nc(C(=O)NCC[NH+](C)C)co1)[C@@H](C)c1ccccc1 ZINC000036073530 569086862 /nfs/dbraw/zinc/08/68/62/569086862.db2.gz IKHMXISKQGONBG-FQEVSTJZSA-N 2 2 420.557 4.038 50 0 HIAALP Cc1ccccc1C[N@H+](Cc1nc(C(=O)NCC[NH+](C)C)co1)[C@@H](C)c1ccccc1 ZINC000036073530 569086863 /nfs/dbraw/zinc/08/68/63/569086863.db2.gz IKHMXISKQGONBG-FQEVSTJZSA-N 2 2 420.557 4.038 50 0 HIAALP O=C(NCc1ccccc1C[NH+]1CCCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000253418629 569367578 /nfs/dbraw/zinc/36/75/78/569367578.db2.gz TZNSNHBLFRFISI-UHFFFAOYSA-N 2 2 402.542 4.237 50 0 HIAALP COc1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCC[NH+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209888 845860089 /nfs/dbraw/zinc/86/00/89/845860089.db2.gz RONCEGXNSRQNOI-RUZDIDTESA-N 2 2 408.542 4.220 50 0 HIAALP COc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCC[NH+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209888 845860093 /nfs/dbraw/zinc/86/00/93/845860093.db2.gz RONCEGXNSRQNOI-RUZDIDTESA-N 2 2 408.542 4.220 50 0 HIAALP COc1cc2c(cc1C[NH+]1CC[C@]3(C1)CCC[N@H+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209888 845860097 /nfs/dbraw/zinc/86/00/97/845860097.db2.gz RONCEGXNSRQNOI-RUZDIDTESA-N 2 2 408.542 4.220 50 0 HIAALP COc1cc2c(cc1C[NH+]1CC[C@]3(C1)CCC[N@@H+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209888 845860103 /nfs/dbraw/zinc/86/01/03/845860103.db2.gz RONCEGXNSRQNOI-RUZDIDTESA-N 2 2 408.542 4.220 50 0 HIAALP C[NH+]1CCC([NH+]2CCC(C[N@H+](Cc3ccncc3)Cc3ccccc3F)CC2)CC1 ZINC000019222219 846359181 /nfs/dbraw/zinc/35/91/81/846359181.db2.gz DDLZVMGIRGTZHC-UHFFFAOYSA-N 3 2 410.581 4.029 50 0 HIAALP C[NH+]1CCC([NH+]2CCC(C[N@@H+](Cc3ccncc3)Cc3ccccc3F)CC2)CC1 ZINC000019222219 846359189 /nfs/dbraw/zinc/35/91/89/846359189.db2.gz DDLZVMGIRGTZHC-UHFFFAOYSA-N 3 2 410.581 4.029 50 0 HIAALP CC[N@@H+](Cc1cnc(SC)nc1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000055199199 849985630 /nfs/dbraw/zinc/98/56/30/849985630.db2.gz UVPAGHIBXDSTGC-LJQANCHMSA-N 2 2 402.583 4.114 50 0 HIAALP CC[N@H+](Cc1cnc(SC)nc1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000055199199 849985634 /nfs/dbraw/zinc/98/56/34/849985634.db2.gz UVPAGHIBXDSTGC-LJQANCHMSA-N 2 2 402.583 4.114 50 0 HIAALP CC[NH+](Cc1cnc(SC)nc1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000055199199 849985640 /nfs/dbraw/zinc/98/56/40/849985640.db2.gz UVPAGHIBXDSTGC-LJQANCHMSA-N 2 2 402.583 4.114 50 0 HIAALP CC[NH+](Cc1cnc(SC)nc1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000055199199 849985649 /nfs/dbraw/zinc/98/56/49/849985649.db2.gz UVPAGHIBXDSTGC-LJQANCHMSA-N 2 2 402.583 4.114 50 0 HIAALP c1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH+](Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211743 558347801 /nfs/dbraw/zinc/34/78/01/558347801.db2.gz BHVJAZKNZTXMOM-RUZDIDTESA-N 2 2 402.542 4.267 50 0 HIAALP c1ccc(CC[N@H+]2CCC[C@@]3(CC[NH+](Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211743 558347804 /nfs/dbraw/zinc/34/78/04/558347804.db2.gz BHVJAZKNZTXMOM-RUZDIDTESA-N 2 2 402.542 4.267 50 0 HIAALP c1ccc(CC[NH+]2CCC[C@@]3(CC[N@H+](Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211743 558347808 /nfs/dbraw/zinc/34/78/08/558347808.db2.gz BHVJAZKNZTXMOM-RUZDIDTESA-N 2 2 402.542 4.267 50 0 HIAALP c1ccc(CC[NH+]2CCC[C@@]3(CC[N@@H+](Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211743 558347812 /nfs/dbraw/zinc/34/78/12/558347812.db2.gz BHVJAZKNZTXMOM-RUZDIDTESA-N 2 2 402.542 4.267 50 0 HIAALP CN(C)c1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301581 558371133 /nfs/dbraw/zinc/37/11/33/558371133.db2.gz KMDCRQINTXNQGX-GOSISDBHSA-N 2 2 407.027 4.249 50 0 HIAALP CN(C)c1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301581 558371135 /nfs/dbraw/zinc/37/11/35/558371135.db2.gz KMDCRQINTXNQGX-GOSISDBHSA-N 2 2 407.027 4.249 50 0 HIAALP CN(C)c1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301581 558371138 /nfs/dbraw/zinc/37/11/38/558371138.db2.gz KMDCRQINTXNQGX-GOSISDBHSA-N 2 2 407.027 4.249 50 0 HIAALP CN(C)c1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301581 558371140 /nfs/dbraw/zinc/37/11/40/558371140.db2.gz KMDCRQINTXNQGX-GOSISDBHSA-N 2 2 407.027 4.249 50 0 HIAALP CCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746444 558458379 /nfs/dbraw/zinc/45/83/79/558458379.db2.gz HVKOIJIACVOFBB-IBGZPJMESA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746444 558458381 /nfs/dbraw/zinc/45/83/81/558458381.db2.gz HVKOIJIACVOFBB-IBGZPJMESA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746444 558458382 /nfs/dbraw/zinc/45/83/82/558458382.db2.gz HVKOIJIACVOFBB-IBGZPJMESA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746444 558458383 /nfs/dbraw/zinc/45/83/83/558458383.db2.gz HVKOIJIACVOFBB-IBGZPJMESA-N 2 2 408.512 4.308 50 0 HIAALP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]([NH2+]Cc3cccn3-c3ncccn3)C2)cc1 ZINC000023374604 558554234 /nfs/dbraw/zinc/55/42/34/558554234.db2.gz MUNGDZDVFIGHKP-HSZRJFAPSA-N 2 2 403.574 4.220 50 0 HIAALP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]([NH2+]Cc3cccn3-c3ncccn3)C2)cc1 ZINC000023374604 558554235 /nfs/dbraw/zinc/55/42/35/558554235.db2.gz MUNGDZDVFIGHKP-HSZRJFAPSA-N 2 2 403.574 4.220 50 0 HIAALP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000060367720 558889523 /nfs/dbraw/zinc/88/95/23/558889523.db2.gz FKLMDACFFVXSOR-UHFFFAOYSA-N 2 2 419.356 4.164 50 0 HIAALP CCCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc([C@H]3CCCO3)s1)CC2 ZINC000096138604 559095515 /nfs/dbraw/zinc/09/55/15/559095515.db2.gz HYRBCSJNZZGKJW-LJQANCHMSA-N 2 2 400.592 4.082 50 0 HIAALP O=C(C1CC[NH+](C2CC[NH+](Cc3ccccc3-c3ccco3)CC2)CC1)N1CCCC1 ZINC000014962396 845995958 /nfs/dbraw/zinc/99/59/58/845995958.db2.gz WQUIOQYZRSVUFW-UHFFFAOYSA-N 2 2 421.585 4.245 50 0 HIAALP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000012592401 132364747 /nfs/dbraw/zinc/36/47/47/132364747.db2.gz FFALMJAEKGUGAI-QHCPKHFHSA-N 2 2 420.601 4.039 50 0 HIAALP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000012592401 132364748 /nfs/dbraw/zinc/36/47/48/132364748.db2.gz FFALMJAEKGUGAI-QHCPKHFHSA-N 2 2 420.601 4.039 50 0 HIAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1ccc(F)cc1Cl ZINC000010314137 557859515 /nfs/dbraw/zinc/85/95/15/557859515.db2.gz LOHTWCDOJMSTFG-UHFFFAOYSA-N 2 2 403.885 4.443 50 0 HIAALP Cc1c[nH]c(C[N@@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000012429642 558404513 /nfs/dbraw/zinc/40/45/13/558404513.db2.gz UHTYQFCUKHTWPK-UHFFFAOYSA-N 2 2 403.574 4.336 50 0 HIAALP Cc1c[nH]c(C[N@H+](Cc2cccnc2)CC2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000012429642 558404515 /nfs/dbraw/zinc/40/45/15/558404515.db2.gz UHTYQFCUKHTWPK-UHFFFAOYSA-N 2 2 403.574 4.336 50 0 HIAALP COCC[N@@H+](Cc1cc(F)ccc1F)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014973295 558688319 /nfs/dbraw/zinc/68/83/19/558688319.db2.gz XURXTJKSMHSSFV-LJQANCHMSA-N 2 2 414.540 4.293 50 0 HIAALP COCC[N@H+](Cc1cc(F)ccc1F)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014973295 558688321 /nfs/dbraw/zinc/68/83/21/558688321.db2.gz XURXTJKSMHSSFV-LJQANCHMSA-N 2 2 414.540 4.293 50 0 HIAALP COCC[NH+](Cc1cc(F)ccc1F)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014973295 558688324 /nfs/dbraw/zinc/68/83/24/558688324.db2.gz XURXTJKSMHSSFV-LJQANCHMSA-N 2 2 414.540 4.293 50 0 HIAALP COCC[NH+](Cc1cc(F)ccc1F)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014973295 558688327 /nfs/dbraw/zinc/68/83/27/558688327.db2.gz XURXTJKSMHSSFV-LJQANCHMSA-N 2 2 414.540 4.293 50 0 HIAALP Clc1ccc(-c2noc3c2C[N@@H+](C2CC[NH+](Cc4ccccn4)CC2)CC3)cc1 ZINC000015066559 558709490 /nfs/dbraw/zinc/70/94/90/558709490.db2.gz GYGSPBCKFAMLLT-UHFFFAOYSA-N 2 2 408.933 4.413 50 0 HIAALP Clc1ccc(-c2noc3c2C[N@H+](C2CC[NH+](Cc4ccccn4)CC2)CC3)cc1 ZINC000015066559 558709493 /nfs/dbraw/zinc/70/94/93/558709493.db2.gz GYGSPBCKFAMLLT-UHFFFAOYSA-N 2 2 408.933 4.413 50 0 HIAALP FC(F)(F)c1cccc(N2CC[NH+](C3CC[NH+](Cc4ccccc4)CC3)CC2)c1 ZINC000004981252 559223558 /nfs/dbraw/zinc/22/35/58/559223558.db2.gz LGZKFFLBKZUASY-UHFFFAOYSA-N 2 2 403.492 4.492 50 0 HIAALP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000095457779 568618737 /nfs/dbraw/zinc/61/87/37/568618737.db2.gz CFZWANXLCFDTMZ-UHFFFAOYSA-N 2 2 417.557 4.074 50 0 HIAALP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095945473 568663488 /nfs/dbraw/zinc/66/34/88/568663488.db2.gz OVCPNPRBEQLVDK-WIYYLYMNSA-N 2 2 402.583 4.028 50 0 HIAALP Fc1ccc(Cn2nc(C[NH2+]CCCn3cc[nH+]c3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492639 568820549 /nfs/dbraw/zinc/82/05/49/568820549.db2.gz WNTDJYFFCZCJCC-UHFFFAOYSA-N 2 2 424.911 4.162 50 0 HIAALP O=C(NCCCCn1cc[nH+]c1)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000040157615 571204306 /nfs/dbraw/zinc/20/43/06/571204306.db2.gz HAHPNMNABZEQHU-UHFFFAOYSA-N 2 2 405.527 4.033 50 0 HIAALP c1cn(CCC[NH2+]Cc2cc3cc4c(cc3nc2OCc2cccnc2)CCC4)c[nH+]1 ZINC000011785151 845833357 /nfs/dbraw/zinc/83/33/57/845833357.db2.gz PMPDDKLXWPVWJT-UHFFFAOYSA-N 2 2 413.525 4.074 50 0 HIAALP COc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183143 849984407 /nfs/dbraw/zinc/98/44/07/849984407.db2.gz NTYQWRIBWUEJMS-HXUWFJFHSA-N 2 2 400.485 4.334 50 0 HIAALP COc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183143 849984416 /nfs/dbraw/zinc/98/44/16/849984416.db2.gz NTYQWRIBWUEJMS-HXUWFJFHSA-N 2 2 400.485 4.334 50 0 HIAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183143 849984428 /nfs/dbraw/zinc/98/44/28/849984428.db2.gz NTYQWRIBWUEJMS-HXUWFJFHSA-N 2 2 400.485 4.334 50 0 HIAALP COc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183143 849984437 /nfs/dbraw/zinc/98/44/37/849984437.db2.gz NTYQWRIBWUEJMS-HXUWFJFHSA-N 2 2 400.485 4.334 50 0 HIAALP c1cn2c(n1)[C@@H](C1CC[NH+](Cc3cccnc3)CC1)[N@H+](CCc1ccccc1)CCC2 ZINC000257193359 854234615 /nfs/dbraw/zinc/23/46/15/854234615.db2.gz YDKNAJPPOXWEEM-RUZDIDTESA-N 2 2 415.585 4.180 50 0 HIAALP c1cn2c(n1)[C@@H](C1CC[NH+](Cc3cccnc3)CC1)[N@@H+](CCc1ccccc1)CCC2 ZINC000257193359 854234619 /nfs/dbraw/zinc/23/46/19/854234619.db2.gz YDKNAJPPOXWEEM-RUZDIDTESA-N 2 2 415.585 4.180 50 0 HIAALP C[NH+]1CCC(O)(c2ccc3c(c2)C[N@@H+](Cc2ccccc2C(F)(F)F)CCO3)CC1 ZINC000299770094 854281041 /nfs/dbraw/zinc/28/10/41/854281041.db2.gz OWYHTVBKAHWJCR-UHFFFAOYSA-N 2 2 420.475 4.013 50 0 HIAALP C[NH+]1CCC(O)(c2ccc3c(c2)C[N@H+](Cc2ccccc2C(F)(F)F)CCO3)CC1 ZINC000299770094 854281047 /nfs/dbraw/zinc/28/10/47/854281047.db2.gz OWYHTVBKAHWJCR-UHFFFAOYSA-N 2 2 420.475 4.013 50 0 HIAALP COc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1OCc1c(F)cccc1Cl ZINC000040719398 526017732 /nfs/dbraw/zinc/01/77/32/526017732.db2.gz XXSWYBOQWXTRQY-UHFFFAOYSA-N 2 2 403.885 4.443 50 0 HIAALP Brc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccccc1 ZINC000010314157 557859504 /nfs/dbraw/zinc/85/95/04/557859504.db2.gz ZESSYYOEDWSWDL-UHFFFAOYSA-N 2 2 400.320 4.405 50 0 HIAALP CC[N@@H+](Cc1nc(-c2ccccc2)cs1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011662904 558266457 /nfs/dbraw/zinc/26/64/57/558266457.db2.gz SXLGFFKWAAGNHY-UHFFFAOYSA-N 3 2 412.647 4.438 50 0 HIAALP CC[N@H+](Cc1nc(-c2ccccc2)cs1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011662904 558266459 /nfs/dbraw/zinc/26/64/59/558266459.db2.gz SXLGFFKWAAGNHY-UHFFFAOYSA-N 3 2 412.647 4.438 50 0 HIAALP OC[C@]1(CCCc2ccccc2)CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012076223 558319883 /nfs/dbraw/zinc/31/98/83/558319883.db2.gz NEZALBHPXJDXRA-AREMUKBSSA-N 2 2 407.602 4.143 50 0 HIAALP OC[C@]1(CCCc2ccccc2)CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012076223 558319885 /nfs/dbraw/zinc/31/98/85/558319885.db2.gz NEZALBHPXJDXRA-AREMUKBSSA-N 2 2 407.602 4.143 50 0 HIAALP COc1cc2[nH+]c(CCc3[nH+]c4cc(OC)cc5c4n3CCC5)n3c2c(c1)CCC3 ZINC000071767244 558910668 /nfs/dbraw/zinc/91/06/68/558910668.db2.gz VEQIKAPIEZCJSD-UHFFFAOYSA-N 2 2 402.498 4.081 50 0 HIAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058343573 558920897 /nfs/dbraw/zinc/92/08/97/558920897.db2.gz SVUDNOVACTXHMC-ZEQRLZLVSA-N 2 2 402.542 4.000 50 0 HIAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058343573 558920899 /nfs/dbraw/zinc/92/08/99/558920899.db2.gz SVUDNOVACTXHMC-ZEQRLZLVSA-N 2 2 402.542 4.000 50 0 HIAALP C[NH+](C)CCC[NH2+]Cc1nn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 ZINC000261491672 568820165 /nfs/dbraw/zinc/82/01/65/568820165.db2.gz BXHGUCIPSRFZNY-UHFFFAOYSA-N 2 2 418.372 4.342 50 0 HIAALP CC[NH+](CC)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2C)ccn1)c1ccccc1Cl ZINC000069351576 571221817 /nfs/dbraw/zinc/22/18/17/571221817.db2.gz GYTJQBWYIQOWPO-NRFANRHFSA-N 2 2 411.937 4.042 50 0 HIAALP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011819651 558283018 /nfs/dbraw/zinc/28/30/18/558283018.db2.gz REFNZGXFUSIEJN-HXUWFJFHSA-N 2 2 410.949 4.169 50 0 HIAALP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000011819651 558283020 /nfs/dbraw/zinc/28/30/20/558283020.db2.gz REFNZGXFUSIEJN-HXUWFJFHSA-N 2 2 410.949 4.169 50 0 HIAALP Cc1csc(C[N@@H+](C)Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)n1 ZINC000012051828 558314349 /nfs/dbraw/zinc/31/43/49/558314349.db2.gz GASNRYPJBIHFCV-NRFANRHFSA-N 2 2 417.619 4.088 50 0 HIAALP Cc1csc(C[N@H+](C)Cc2cccc(OC[C@@H](O)C[NH+](C)C3CCCCC3)c2)n1 ZINC000012051828 558314352 /nfs/dbraw/zinc/31/43/52/558314352.db2.gz GASNRYPJBIHFCV-NRFANRHFSA-N 2 2 417.619 4.088 50 0 HIAALP Cc1csc(C[NH+](C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)n1 ZINC000012051828 558314355 /nfs/dbraw/zinc/31/43/55/558314355.db2.gz GASNRYPJBIHFCV-NRFANRHFSA-N 2 2 417.619 4.088 50 0 HIAALP Cc1csc(C[NH+](C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000012051828 558314358 /nfs/dbraw/zinc/31/43/58/558314358.db2.gz GASNRYPJBIHFCV-NRFANRHFSA-N 2 2 417.619 4.088 50 0 HIAALP Cc1cccc(C[NH+]2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)c1 ZINC000020102796 558332432 /nfs/dbraw/zinc/33/24/32/558332432.db2.gz VGLCXZQCOCVTGH-IZZDOVSWSA-N 2 2 417.597 4.065 50 0 HIAALP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2cccnc2)C2CC[NH+](C)CC2)CC1 ZINC000020212011 558347864 /nfs/dbraw/zinc/34/78/64/558347864.db2.gz RMYDAQGCLZLKMM-UHFFFAOYSA-N 3 2 406.618 4.198 50 0 HIAALP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2cccnc2)C2CC[NH+](C)CC2)CC1 ZINC000020212011 558347867 /nfs/dbraw/zinc/34/78/67/558347867.db2.gz RMYDAQGCLZLKMM-UHFFFAOYSA-N 3 2 406.618 4.198 50 0 HIAALP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000021702693 558446039 /nfs/dbraw/zinc/44/60/39/558446039.db2.gz HYWBGLHMOCPVLO-PMACEKPBSA-N 2 2 409.574 4.149 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252569 558877627 /nfs/dbraw/zinc/87/76/27/558877627.db2.gz REJRHQZAWJHBQQ-FQEVSTJZSA-N 2 2 400.538 4.229 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252569 558877629 /nfs/dbraw/zinc/87/76/29/558877629.db2.gz REJRHQZAWJHBQQ-FQEVSTJZSA-N 2 2 400.538 4.229 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252569 558877630 /nfs/dbraw/zinc/87/76/30/558877630.db2.gz REJRHQZAWJHBQQ-FQEVSTJZSA-N 2 2 400.538 4.229 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252569 558877631 /nfs/dbraw/zinc/87/76/31/558877631.db2.gz REJRHQZAWJHBQQ-FQEVSTJZSA-N 2 2 400.538 4.229 50 0 HIAALP O=c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2ccc(Br)cc2o1 ZINC000058413681 558925244 /nfs/dbraw/zinc/92/52/44/558925244.db2.gz HDLJKVMFPFLIEJ-UHFFFAOYSA-N 2 2 405.336 4.006 50 0 HIAALP Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000008717247 571105413 /nfs/dbraw/zinc/10/54/13/571105413.db2.gz TZSALOZOWPFONE-UHFFFAOYSA-N 2 2 405.542 4.354 50 0 HIAALP Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000008717247 571105414 /nfs/dbraw/zinc/10/54/14/571105414.db2.gz TZSALOZOWPFONE-UHFFFAOYSA-N 2 2 405.542 4.354 50 0 HIAALP FC(F)(F)c1ccccc1C[NH+]1CCC([NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000004109117 132271266 /nfs/dbraw/zinc/27/12/66/132271266.db2.gz LFGXKMLGEYQBOF-UHFFFAOYSA-N 2 2 403.492 4.492 50 0 HIAALP Cc1nc2ccc(C)cn2c1C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000009467059 132340144 /nfs/dbraw/zinc/34/01/44/132340144.db2.gz MQVJNITUDGZYOH-UHFFFAOYSA-N 2 2 405.933 4.475 50 0 HIAALP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2csc(C(C)=O)c2)C1 ZINC000020543127 524408834 /nfs/dbraw/zinc/40/88/34/524408834.db2.gz FXXKJGNKAPFMBU-LJQANCHMSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2csc(C(C)=O)c2)C1 ZINC000020543127 524408845 /nfs/dbraw/zinc/40/88/45/524408845.db2.gz FXXKJGNKAPFMBU-LJQANCHMSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2csc(C(C)=O)c2)C1 ZINC000020543127 524408855 /nfs/dbraw/zinc/40/88/55/524408855.db2.gz FXXKJGNKAPFMBU-LJQANCHMSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2csc(C(C)=O)c2)C1 ZINC000020543127 524408862 /nfs/dbraw/zinc/40/88/62/524408862.db2.gz FXXKJGNKAPFMBU-LJQANCHMSA-N 2 2 400.588 4.346 50 0 HIAALP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cc(OC)c(OC)c(OC)c1 ZINC000001249883 557251477 /nfs/dbraw/zinc/25/14/77/557251477.db2.gz AGECSJDGZZTQDK-UHFFFAOYSA-N 2 2 412.534 4.016 50 0 HIAALP CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[N@H+](CC)Cc1ccoc1 ZINC000034836763 557467875 /nfs/dbraw/zinc/46/78/75/557467875.db2.gz UEEMCXQWDADRNS-UHFFFAOYSA-N 2 2 421.589 4.110 50 0 HIAALP CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[N@@H+](CC)Cc1ccoc1 ZINC000034836763 557467877 /nfs/dbraw/zinc/46/78/77/557467877.db2.gz UEEMCXQWDADRNS-UHFFFAOYSA-N 2 2 421.589 4.110 50 0 HIAALP CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[N@H+](CC)Cc1ccco1 ZINC000034836711 557467929 /nfs/dbraw/zinc/46/79/29/557467929.db2.gz YNBBBZPZULMCBM-UHFFFAOYSA-N 2 2 421.589 4.110 50 0 HIAALP CCc1nn(-c2cccc(C)c2)c(N2CC[NH+](C)CC2)c1C[N@@H+](CC)Cc1ccco1 ZINC000034836711 557467931 /nfs/dbraw/zinc/46/79/31/557467931.db2.gz YNBBBZPZULMCBM-UHFFFAOYSA-N 2 2 421.589 4.110 50 0 HIAALP CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(Cl)c(Cl)c2)C1=N ZINC000004811961 557600743 /nfs/dbraw/zinc/60/07/43/557600743.db2.gz YIAPSGUJWRWQJF-UHFFFAOYSA-N 2 2 419.356 4.454 50 0 HIAALP CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(=O)c2ccc(Cl)c(Cl)c2)C1=N ZINC000004811961 557600748 /nfs/dbraw/zinc/60/07/48/557600748.db2.gz YIAPSGUJWRWQJF-UHFFFAOYSA-N 2 2 419.356 4.454 50 0 HIAALP Cc1c([C@@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cnn1-c1ccc(F)cc1F ZINC000011821380 558284487 /nfs/dbraw/zinc/28/44/87/558284487.db2.gz WBSNAPFTWCMSEO-MRXNPFEDSA-N 2 2 411.500 4.169 50 0 HIAALP CCCCc1nc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)c[nH]1 ZINC000011935745 558299726 /nfs/dbraw/zinc/29/97/26/558299726.db2.gz RAAKCQMZQHMIID-UHFFFAOYSA-N 2 2 416.585 4.252 50 0 HIAALP CCCCc1nc(C[N@@H+](CCOC)CC2CC[NH+](Cc3ccccc3F)CC2)c[nH]1 ZINC000011935745 558299728 /nfs/dbraw/zinc/29/97/28/558299728.db2.gz RAAKCQMZQHMIID-UHFFFAOYSA-N 2 2 416.585 4.252 50 0 HIAALP CC[NH+](CC)CCn1c2ccccc2n(CCCOc2ccccc2Cl)c1=[NH2+] ZINC000020069493 558330592 /nfs/dbraw/zinc/33/05/92/558330592.db2.gz HKERHAHBEQVXQL-UHFFFAOYSA-N 2 2 400.954 4.387 50 0 HIAALP Cc1ccc2nc(-c3ccc(NC(=O)C[NH2+]CC(C)(C)C[NH+](C)C)cc3)sc2c1 ZINC000002636214 560586616 /nfs/dbraw/zinc/58/66/16/560586616.db2.gz VFBFRPGRAVJZOD-UHFFFAOYSA-N 2 2 410.587 4.388 50 0 HIAALP c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000012301499 568464120 /nfs/dbraw/zinc/46/41/20/568464120.db2.gz AESCVERGFSTHKI-UHFFFAOYSA-N 2 2 402.542 4.040 50 0 HIAALP CC[NH+](CC)CCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491704 568820156 /nfs/dbraw/zinc/82/01/56/568820156.db2.gz DSYXORKMJDSPSG-UHFFFAOYSA-N 2 2 411.981 4.468 50 0 HIAALP Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(F)cc1 ZINC000012604477 568870757 /nfs/dbraw/zinc/87/07/57/568870757.db2.gz ZNXIAFPARHKGBB-JOCHJYFZSA-N 2 2 406.505 4.065 50 0 HIAALP CC(C)[NH+]1CCC([NH+](C)Cc2ccc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000084597482 568951970 /nfs/dbraw/zinc/95/19/70/568951970.db2.gz WHWQMCSFQAGWAO-UHFFFAOYSA-N 4 2 414.682 4.296 50 0 HIAALP CC(C)[NH+]1CCC([NH+](C)Cc2ccc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000084597482 568951972 /nfs/dbraw/zinc/95/19/72/568951972.db2.gz WHWQMCSFQAGWAO-UHFFFAOYSA-N 4 2 414.682 4.296 50 0 HIAALP CCOc1ccc(C(=O)c2c[nH+]c3ccc(C)cc3c2N2CC[NH+](CC)CC2)cc1 ZINC000004315513 132275041 /nfs/dbraw/zinc/27/50/41/132275041.db2.gz WWGNIASKUXOEFI-UHFFFAOYSA-N 2 2 403.526 4.315 50 0 HIAALP COc1ccc(-c2nc(C[NH+]3CCN(c4cc(C)[nH+]c(C)c4)CC3)c(C)o2)c(OC)c1 ZINC000012718170 536514299 /nfs/dbraw/zinc/51/42/99/536514299.db2.gz JEGLOKQKSSQXDR-UHFFFAOYSA-N 2 2 422.529 4.001 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843472 558288288 /nfs/dbraw/zinc/28/82/88/558288288.db2.gz OSLNEOGOAPSNCS-OAQYLSRUSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843472 558288290 /nfs/dbraw/zinc/28/82/90/558288290.db2.gz OSLNEOGOAPSNCS-OAQYLSRUSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843472 558288292 /nfs/dbraw/zinc/28/82/92/558288292.db2.gz OSLNEOGOAPSNCS-OAQYLSRUSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843472 558288295 /nfs/dbraw/zinc/28/82/95/558288295.db2.gz OSLNEOGOAPSNCS-OAQYLSRUSA-N 2 2 412.574 4.099 50 0 HIAALP C[N@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000011878365 558292824 /nfs/dbraw/zinc/29/28/24/558292824.db2.gz DDPORRHCVNNWTD-UHFFFAOYSA-N 3 2 413.581 4.270 50 0 HIAALP C[N@@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC[NH+](Cc2ccco2)CC1 ZINC000011878365 558292827 /nfs/dbraw/zinc/29/28/27/558292827.db2.gz DDPORRHCVNNWTD-UHFFFAOYSA-N 3 2 413.581 4.270 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C)c1O)[C@H](C)[N@H+](C)CC2 ZINC000013410410 558532012 /nfs/dbraw/zinc/53/20/12/558532012.db2.gz PWFLHIQSZMYWPN-CABCVRRESA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C)c1O)[C@H](C)[N@@H+](C)CC2 ZINC000013410410 558532014 /nfs/dbraw/zinc/53/20/14/558532014.db2.gz PWFLHIQSZMYWPN-CABCVRRESA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C)c1O)[C@H](C)[NH+](C)CC2 ZINC000013410410 558532018 /nfs/dbraw/zinc/53/20/18/558532018.db2.gz PWFLHIQSZMYWPN-CABCVRRESA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C)c1O)[C@H](C)[NH+](C)CC2 ZINC000013410410 558532019 /nfs/dbraw/zinc/53/20/19/558532019.db2.gz PWFLHIQSZMYWPN-CABCVRRESA-N 2 2 412.530 4.300 50 0 HIAALP O=c1occ(C[NH+]2CCCCCC2)c(O)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000101374500 560793534 /nfs/dbraw/zinc/79/35/34/560793534.db2.gz GRUPLHSCXBTYGU-UHFFFAOYSA-N 2 2 410.558 4.176 50 0 HIAALP C[N@H+](C[C@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000089375210 569059105 /nfs/dbraw/zinc/05/91/05/569059105.db2.gz BGETTWAMHRDTQJ-SANMLTNESA-N 2 2 415.581 4.266 50 0 HIAALP C[N@@H+](C[C@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000089375210 569059106 /nfs/dbraw/zinc/05/91/06/569059106.db2.gz BGETTWAMHRDTQJ-SANMLTNESA-N 2 2 415.581 4.266 50 0 HIAALP Fc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067665 571134663 /nfs/dbraw/zinc/13/46/63/571134663.db2.gz QFJPLCSOBVFTHL-XMMPIXPASA-N 2 2 423.511 4.034 50 0 HIAALP Fc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067665 571134665 /nfs/dbraw/zinc/13/46/65/571134665.db2.gz QFJPLCSOBVFTHL-XMMPIXPASA-N 2 2 423.511 4.034 50 0 HIAALP Fc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067665 571134667 /nfs/dbraw/zinc/13/46/67/571134667.db2.gz QFJPLCSOBVFTHL-XMMPIXPASA-N 2 2 423.511 4.034 50 0 HIAALP Fc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067665 571134669 /nfs/dbraw/zinc/13/46/69/571134669.db2.gz QFJPLCSOBVFTHL-XMMPIXPASA-N 2 2 423.511 4.034 50 0 HIAALP C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[NH+](C[C@@H]1CC=CCC1)CCO2 ZINC000299797573 854282033 /nfs/dbraw/zinc/28/20/33/854282033.db2.gz OERKDSGDOKQOJH-LJQANCHMSA-N 2 2 406.574 4.470 50 0 HIAALP C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[NH+](C[C@@H]1CC=CCC1)CCO2 ZINC000299797573 854282036 /nfs/dbraw/zinc/28/20/36/854282036.db2.gz OERKDSGDOKQOJH-LJQANCHMSA-N 2 2 406.574 4.470 50 0 HIAALP C[NH+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000299797573 854282039 /nfs/dbraw/zinc/28/20/39/854282039.db2.gz OERKDSGDOKQOJH-LJQANCHMSA-N 2 2 406.574 4.470 50 0 HIAALP C[NH+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000299797573 854282042 /nfs/dbraw/zinc/28/20/42/854282042.db2.gz OERKDSGDOKQOJH-LJQANCHMSA-N 2 2 406.574 4.470 50 0 HIAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1cccc(C)c1 ZINC000040720570 522446985 /nfs/dbraw/zinc/44/69/85/522446985.db2.gz AANBLCBBSWQACR-UHFFFAOYSA-N 2 2 418.965 4.048 50 0 HIAALP CCOc1ccccc1C[N@H+](CCOC)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818244 558281605 /nfs/dbraw/zinc/28/16/05/558281605.db2.gz QKLGVGQILWWWGL-QFIPXVFZSA-N 2 2 422.613 4.413 50 0 HIAALP CCOc1ccccc1C[N@@H+](CCOC)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818244 558281607 /nfs/dbraw/zinc/28/16/07/558281607.db2.gz QKLGVGQILWWWGL-QFIPXVFZSA-N 2 2 422.613 4.413 50 0 HIAALP CCOc1ccccc1C[NH+](CCOC)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818244 558281609 /nfs/dbraw/zinc/28/16/09/558281609.db2.gz QKLGVGQILWWWGL-QFIPXVFZSA-N 2 2 422.613 4.413 50 0 HIAALP CCOc1ccccc1C[NH+](CCOC)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818244 558281610 /nfs/dbraw/zinc/28/16/10/558281610.db2.gz QKLGVGQILWWWGL-QFIPXVFZSA-N 2 2 422.613 4.413 50 0 HIAALP C[C@@H](NC(=O)c1cccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1)c1ccccc1 ZINC000020451414 558365738 /nfs/dbraw/zinc/36/57/38/558365738.db2.gz ASMVYMMPTIHPFE-HXUWFJFHSA-N 2 2 421.585 4.115 50 0 HIAALP Cc1ccccc1C[NH+]1CCC(C[N@@H+](Cc2nccn2C)Cc2cccnc2)CC1 ZINC000012301330 558370911 /nfs/dbraw/zinc/37/09/11/558370911.db2.gz UBOJEIIMZPEIOY-UHFFFAOYSA-N 2 2 403.574 4.038 50 0 HIAALP Cc1ccccc1C[NH+]1CCC(C[N@H+](Cc2nccn2C)Cc2cccnc2)CC1 ZINC000012301330 558370914 /nfs/dbraw/zinc/37/09/14/558370914.db2.gz UBOJEIIMZPEIOY-UHFFFAOYSA-N 2 2 403.574 4.038 50 0 HIAALP Cc1c[nH]c(CC[NH2+]Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)[nH+]1 ZINC000015068101 558710567 /nfs/dbraw/zinc/71/05/67/558710567.db2.gz ZDRUDVZPMYRUNE-UHFFFAOYSA-N 2 2 407.468 4.490 50 0 HIAALP COc1cc(Br)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000022771271 568499499 /nfs/dbraw/zinc/49/94/99/568499499.db2.gz YOIOORCYSGOSIS-UHFFFAOYSA-N 2 2 419.363 4.221 50 0 HIAALP Cc1[nH+]c2cc(NC(=O)CCc3c[nH]c4ccccc34)ccc2n1CCC[NH+](C)C ZINC000095478636 568631958 /nfs/dbraw/zinc/63/19/58/568631958.db2.gz BKQWVCJSMUSINU-UHFFFAOYSA-N 2 2 403.530 4.349 50 0 HIAALP CC[NH+](CC)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2C)ccn1)c1ccccc1Cl ZINC000069351577 571221983 /nfs/dbraw/zinc/22/19/83/571221983.db2.gz GYTJQBWYIQOWPO-OAQYLSRUSA-N 2 2 411.937 4.042 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338624 846686343 /nfs/dbraw/zinc/68/63/43/846686343.db2.gz SVPXEQJNYSYJGU-QHCPKHFHSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338624 846686351 /nfs/dbraw/zinc/68/63/51/846686351.db2.gz SVPXEQJNYSYJGU-QHCPKHFHSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338624 846686360 /nfs/dbraw/zinc/68/63/60/846686360.db2.gz SVPXEQJNYSYJGU-QHCPKHFHSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338624 846686366 /nfs/dbraw/zinc/68/63/66/846686366.db2.gz SVPXEQJNYSYJGU-QHCPKHFHSA-N 2 2 418.585 4.267 50 0 HIAALP COc1cc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCC(C)CC2)cc2c1OCCO2 ZINC000025361790 522462249 /nfs/dbraw/zinc/46/22/49/522462249.db2.gz FTOZAZFPDIGTIZ-GOSISDBHSA-N 2 2 402.560 4.091 50 0 HIAALP Cc1ccc(NC(=O)COc2ccc(Cl)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000040719840 525068720 /nfs/dbraw/zinc/06/87/20/525068720.db2.gz FWZNYUSSMVPGLR-UHFFFAOYSA-N 2 2 412.921 4.042 50 0 HIAALP Cc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)CC2)cc1 ZINC000020102886 558332397 /nfs/dbraw/zinc/33/23/97/558332397.db2.gz AMSNJSJODKOOEF-VMPITWQZSA-N 2 2 417.597 4.065 50 0 HIAALP FC(F)(F)c1cccc(Cc2noc(C[N@@H+]3CCCC[C@@H]3CCn3cc[nH+]c3)n2)c1 ZINC000020449936 558365168 /nfs/dbraw/zinc/36/51/68/558365168.db2.gz XAOXPBRLOLMKSU-GOSISDBHSA-N 2 2 419.451 4.321 50 0 HIAALP FC(F)(F)c1cccc(Cc2noc(C[N@H+]3CCCC[C@@H]3CCn3cc[nH+]c3)n2)c1 ZINC000020449936 558365171 /nfs/dbraw/zinc/36/51/71/558365171.db2.gz XAOXPBRLOLMKSU-GOSISDBHSA-N 2 2 419.451 4.321 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710555 558452096 /nfs/dbraw/zinc/45/20/96/558452096.db2.gz WGHOSQXTGHOJQQ-OAQYLSRUSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710555 558452098 /nfs/dbraw/zinc/45/20/98/558452098.db2.gz WGHOSQXTGHOJQQ-OAQYLSRUSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710555 558452101 /nfs/dbraw/zinc/45/21/01/558452101.db2.gz WGHOSQXTGHOJQQ-OAQYLSRUSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710555 558452105 /nfs/dbraw/zinc/45/21/05/558452105.db2.gz WGHOSQXTGHOJQQ-OAQYLSRUSA-N 2 2 412.574 4.099 50 0 HIAALP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015590090 558745336 /nfs/dbraw/zinc/74/53/36/558745336.db2.gz BIEPNGHBWYBORL-FQEVSTJZSA-N 2 2 417.557 4.419 50 0 HIAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058343572 558920820 /nfs/dbraw/zinc/92/08/20/558920820.db2.gz SVUDNOVACTXHMC-BJKOFHAPSA-N 2 2 402.542 4.000 50 0 HIAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058343572 558920822 /nfs/dbraw/zinc/92/08/22/558920822.db2.gz SVUDNOVACTXHMC-BJKOFHAPSA-N 2 2 402.542 4.000 50 0 HIAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058343575 558920865 /nfs/dbraw/zinc/92/08/65/558920865.db2.gz SVUDNOVACTXHMC-RPWUZVMVSA-N 2 2 402.542 4.000 50 0 HIAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058343575 558920867 /nfs/dbraw/zinc/92/08/67/558920867.db2.gz SVUDNOVACTXHMC-RPWUZVMVSA-N 2 2 402.542 4.000 50 0 HIAALP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095945472 568663549 /nfs/dbraw/zinc/66/35/49/568663549.db2.gz OVCPNPRBEQLVDK-GHTZIAJQSA-N 2 2 402.583 4.028 50 0 HIAALP Clc1ccc(Cn2nc(C[NH2+]CCCn3cc[nH+]c3)c(-c3ccccc3)n2)cc1 ZINC000261492189 568820406 /nfs/dbraw/zinc/82/04/06/568820406.db2.gz UAMFFROCMRDZDF-UHFFFAOYSA-N 2 2 406.921 4.023 50 0 HIAALP CN(C(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000222018519 569039754 /nfs/dbraw/zinc/03/97/54/569039754.db2.gz ZRAOIVLDVHSHPI-WOJBJXKFSA-N 2 2 410.965 4.280 50 0 HIAALP CN(C(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000222018519 569039755 /nfs/dbraw/zinc/03/97/55/569039755.db2.gz ZRAOIVLDVHSHPI-WOJBJXKFSA-N 2 2 410.965 4.280 50 0 HIAALP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000040112300 571170434 /nfs/dbraw/zinc/17/04/34/571170434.db2.gz VZXMHHJYURUXFH-HXUWFJFHSA-N 2 2 402.542 4.093 50 0 HIAALP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000040112300 571170435 /nfs/dbraw/zinc/17/04/35/571170435.db2.gz VZXMHHJYURUXFH-HXUWFJFHSA-N 2 2 402.542 4.093 50 0 HIAALP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Cl)ccc1F)Cc1ccccc1O2 ZINC000257185620 854233633 /nfs/dbraw/zinc/23/36/33/854233633.db2.gz JRJLRVMJQQSDTQ-UHFFFAOYSA-N 2 2 418.940 4.355 50 0 HIAALP COCC[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Cl)ccc1F)Cc1ccccc1O2 ZINC000257185620 854233637 /nfs/dbraw/zinc/23/36/37/854233637.db2.gz JRJLRVMJQQSDTQ-UHFFFAOYSA-N 2 2 418.940 4.355 50 0 HIAALP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(F)cc1Cl)Cc1ccccc1O2 ZINC000257194769 854234863 /nfs/dbraw/zinc/23/48/63/854234863.db2.gz UQJVZVCKJIBPQE-UHFFFAOYSA-N 2 2 418.940 4.355 50 0 HIAALP COCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(F)cc1Cl)Cc1ccccc1O2 ZINC000257194769 854234868 /nfs/dbraw/zinc/23/48/68/854234868.db2.gz UQJVZVCKJIBPQE-UHFFFAOYSA-N 2 2 418.940 4.355 50 0 HIAALP COc1ccc(-c2cn3c4ccccc4n(CC[NH+]4CCCCC4)c3[nH+]2)cc1OC ZINC000000789382 557080682 /nfs/dbraw/zinc/08/06/82/557080682.db2.gz CWSWNOVHCWTWCR-UHFFFAOYSA-N 2 2 404.514 4.459 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(F)c1 ZINC000011873976 558291625 /nfs/dbraw/zinc/29/16/25/558291625.db2.gz BNRIYFSWLSQTQO-RUZDIDTESA-N 2 2 420.532 4.215 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(F)c1 ZINC000011873976 558291629 /nfs/dbraw/zinc/29/16/29/558291629.db2.gz BNRIYFSWLSQTQO-RUZDIDTESA-N 2 2 420.532 4.215 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(F)c1 ZINC000011873976 558291633 /nfs/dbraw/zinc/29/16/33/558291633.db2.gz BNRIYFSWLSQTQO-RUZDIDTESA-N 2 2 420.532 4.215 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(F)c1 ZINC000011873976 558291636 /nfs/dbraw/zinc/29/16/36/558291636.db2.gz BNRIYFSWLSQTQO-RUZDIDTESA-N 2 2 420.532 4.215 50 0 HIAALP CC(C)Cc1ccc(C[N@@H+]2CCC[C@H]([NH2+]Cc3cccn3-c3ncccn3)C2)cc1 ZINC000023374606 558554136 /nfs/dbraw/zinc/55/41/36/558554136.db2.gz MUNGDZDVFIGHKP-QHCPKHFHSA-N 2 2 403.574 4.220 50 0 HIAALP CC(C)Cc1ccc(C[N@H+]2CCC[C@H]([NH2+]Cc3cccn3-c3ncccn3)C2)cc1 ZINC000023374606 558554139 /nfs/dbraw/zinc/55/41/39/558554139.db2.gz MUNGDZDVFIGHKP-QHCPKHFHSA-N 2 2 403.574 4.220 50 0 HIAALP C[NH+]1CCC([NH+]2CCC(Oc3cccc(C(=O)N4CCCCCCC4)c3)CC2)CC1 ZINC000019222569 558852217 /nfs/dbraw/zinc/85/22/17/558852217.db2.gz GEBGQHYMNRCUAK-UHFFFAOYSA-N 2 2 413.606 4.030 50 0 HIAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000058343574 558920927 /nfs/dbraw/zinc/92/09/27/558920927.db2.gz SVUDNOVACTXHMC-DNQXCXABSA-N 2 2 402.542 4.000 50 0 HIAALP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058343574 558920929 /nfs/dbraw/zinc/92/09/29/558920929.db2.gz SVUDNOVACTXHMC-DNQXCXABSA-N 2 2 402.542 4.000 50 0 HIAALP CC[NH+](CC)CCOCC[N@H+](Cc1nc(Cc2ccccc2)no1)Cc1ccccc1 ZINC000097106913 568768148 /nfs/dbraw/zinc/76/81/48/568768148.db2.gz QOIUDLVVZHQRBQ-UHFFFAOYSA-N 2 2 422.573 4.021 50 0 HIAALP CC[NH+](CC)CCOCC[N@@H+](Cc1nc(Cc2ccccc2)no1)Cc1ccccc1 ZINC000097106913 568768149 /nfs/dbraw/zinc/76/81/49/568768149.db2.gz QOIUDLVVZHQRBQ-UHFFFAOYSA-N 2 2 422.573 4.021 50 0 HIAALP Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000008204006 132328734 /nfs/dbraw/zinc/32/87/34/132328734.db2.gz OVEBJCKJKOFLAP-UHFFFAOYSA-N 2 2 408.933 4.266 50 0 HIAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(Cl)c1OCc1ccccc1F ZINC000010314047 557859539 /nfs/dbraw/zinc/85/95/39/557859539.db2.gz GOEIEBCJEAUEDC-UHFFFAOYSA-N 2 2 403.885 4.443 50 0 HIAALP c1ccc(CC[N@@H+]2CCC[C@]3(CC[NH+](Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211746 558347762 /nfs/dbraw/zinc/34/77/62/558347762.db2.gz BHVJAZKNZTXMOM-VWLOTQADSA-N 2 2 402.542 4.267 50 0 HIAALP c1ccc(CC[N@H+]2CCC[C@]3(CC[NH+](Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211746 558347765 /nfs/dbraw/zinc/34/77/65/558347765.db2.gz BHVJAZKNZTXMOM-VWLOTQADSA-N 2 2 402.542 4.267 50 0 HIAALP c1ccc(CC[NH+]2CCC[C@]3(CC[N@H+](Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211746 558347767 /nfs/dbraw/zinc/34/77/67/558347767.db2.gz BHVJAZKNZTXMOM-VWLOTQADSA-N 2 2 402.542 4.267 50 0 HIAALP c1ccc(CC[NH+]2CCC[C@]3(CC[N@@H+](Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211746 558347770 /nfs/dbraw/zinc/34/77/70/558347770.db2.gz BHVJAZKNZTXMOM-VWLOTQADSA-N 2 2 402.542 4.267 50 0 HIAALP COc1ccc(C[NH+]2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000012363300 558387411 /nfs/dbraw/zinc/38/74/11/558387411.db2.gz WIDPDFCJYLWUFS-OYRHEFFESA-N 2 2 424.585 4.348 50 0 HIAALP COc1ccc(C[NH+]2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000012363300 558387414 /nfs/dbraw/zinc/38/74/14/558387414.db2.gz WIDPDFCJYLWUFS-OYRHEFFESA-N 2 2 424.585 4.348 50 0 HIAALP OCC[NH2+]CC[NH2+]Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000023469469 558559190 /nfs/dbraw/zinc/55/91/90/558559190.db2.gz FDYCEIBOHKBACL-UHFFFAOYSA-N 2 2 419.352 4.397 50 0 HIAALP C[C@@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903309 559088743 /nfs/dbraw/zinc/08/87/43/559088743.db2.gz BHBWNYBKKMRJJJ-OFVILXPXSA-N 2 2 423.576 4.099 50 0 HIAALP Cc1ccc(C[NH+]2CCC([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)o1 ZINC000252508161 569291418 /nfs/dbraw/zinc/29/14/18/569291418.db2.gz XETMIDHBGUIGHO-UHFFFAOYSA-N 2 2 407.480 4.393 50 0 HIAALP COc1cc(C[NH2+]CCn2cc[nH+]c2)cc(Br)c1OCc1ccccc1 ZINC000025359705 522456689 /nfs/dbraw/zinc/45/66/89/522456689.db2.gz DZEMKLQHCKYFMU-UHFFFAOYSA-N 2 2 416.319 4.023 50 0 HIAALP CCc1ccccc1NC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000008204695 535948402 /nfs/dbraw/zinc/94/84/02/535948402.db2.gz WZHWKHZNUIKTME-UHFFFAOYSA-N 2 2 408.933 4.211 50 0 HIAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1c(F)cccc1Cl ZINC000010314088 557859403 /nfs/dbraw/zinc/85/94/03/557859403.db2.gz MEGOXHRBQCSKAQ-UHFFFAOYSA-N 2 2 403.885 4.443 50 0 HIAALP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cnn1-c1ccc(F)cc1F ZINC000011668181 558270005 /nfs/dbraw/zinc/27/00/05/558270005.db2.gz FPUZFZQRFMKRNP-INIZCTEOSA-N 2 2 411.500 4.169 50 0 HIAALP CCCCc1[nH]c(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c[nH+]1 ZINC000020138444 558338217 /nfs/dbraw/zinc/33/82/17/558338217.db2.gz GJBIYNRDQTUSEQ-JOCHJYFZSA-N 2 2 416.013 4.192 50 0 HIAALP CCCCc1[nH]cc(CN2CCC[C@@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)[nH+]1 ZINC000020138444 558338219 /nfs/dbraw/zinc/33/82/19/558338219.db2.gz GJBIYNRDQTUSEQ-JOCHJYFZSA-N 2 2 416.013 4.192 50 0 HIAALP c1c(-c2ccccc2)c2c(nc[nH+]c2NCCC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000024102715 558589135 /nfs/dbraw/zinc/58/91/35/558589135.db2.gz ZVGBGEZENNTLNQ-UHFFFAOYSA-N 2 2 413.525 4.222 50 0 HIAALP Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC[NH+]2CCOCC2)cc1 ZINC000024102722 558589240 /nfs/dbraw/zinc/58/92/40/558589240.db2.gz HGEGFGZCJVPOTN-UHFFFAOYSA-N 2 2 413.525 4.140 50 0 HIAALP CC(C)NC(=O)C1CC[NH+](C2CC[NH+](Cc3ccc(-c4ccco4)cc3)CC2)CC1 ZINC000014950532 558681106 /nfs/dbraw/zinc/68/11/06/558681106.db2.gz CHUDZVLPLSNZTA-UHFFFAOYSA-N 2 2 409.574 4.148 50 0 HIAALP OC[C@@]1(CCCc2ccccc2)CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000015066417 558709416 /nfs/dbraw/zinc/70/94/16/558709416.db2.gz YPDPKVCIQWGTHB-SANMLTNESA-N 2 2 407.602 4.143 50 0 HIAALP OC[C@@]1(CCCc2ccccc2)CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000015066417 558709418 /nfs/dbraw/zinc/70/94/18/558709418.db2.gz YPDPKVCIQWGTHB-SANMLTNESA-N 2 2 407.602 4.143 50 0 HIAALP CC[NH+](CC)CCC[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492155 568820425 /nfs/dbraw/zinc/82/04/25/568820425.db2.gz RWFGXSDAQCXYLY-UHFFFAOYSA-N 2 2 411.981 4.468 50 0 HIAALP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC(F)F ZINC000007652291 569299002 /nfs/dbraw/zinc/29/90/02/569299002.db2.gz STLYJAXIQGAKGI-UHFFFAOYSA-N 2 2 406.473 4.059 50 0 HIAALP COc1cc(C[NH2+]CCc2c[nH]c[nH+]2)cc(Br)c1OCc1ccccc1 ZINC000078869794 569420991 /nfs/dbraw/zinc/42/09/91/569420991.db2.gz QCKPCHKTHBWWBN-UHFFFAOYSA-N 2 2 416.319 4.092 50 0 HIAALP COc1cc(C[NH2+]CCc2c[nH+]c[nH]2)cc(Br)c1OCc1ccccc1 ZINC000078869794 569420992 /nfs/dbraw/zinc/42/09/92/569420992.db2.gz QCKPCHKTHBWWBN-UHFFFAOYSA-N 2 2 416.319 4.092 50 0 HIAALP COc1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCC[NH+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209893 845859519 /nfs/dbraw/zinc/85/95/19/845859519.db2.gz RONCEGXNSRQNOI-VWLOTQADSA-N 2 2 408.542 4.220 50 0 HIAALP COc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCC[NH+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209893 845859520 /nfs/dbraw/zinc/85/95/20/845859520.db2.gz RONCEGXNSRQNOI-VWLOTQADSA-N 2 2 408.542 4.220 50 0 HIAALP COc1cc2c(cc1C[NH+]1CC[C@@]3(C1)CCC[N@H+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209893 845859523 /nfs/dbraw/zinc/85/95/23/845859523.db2.gz RONCEGXNSRQNOI-VWLOTQADSA-N 2 2 408.542 4.220 50 0 HIAALP COc1cc2c(cc1C[NH+]1CC[C@@]3(C1)CCC[N@@H+](Cc1cccc(C)c1)C3)OCO2 ZINC000012209893 845859530 /nfs/dbraw/zinc/85/95/30/845859530.db2.gz RONCEGXNSRQNOI-VWLOTQADSA-N 2 2 408.542 4.220 50 0 HIAALP CC[NH+]1CCC([N@@H+]2CC[C@H](Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)C2)CC1 ZINC000575314480 948643058 /nfs/dbraw/zinc/64/30/58/948643058.db2.gz XMJADYVTMMBISC-QHCPKHFHSA-N 2 2 418.541 4.341 50 0 HIAALP CC[NH+]1CCC([N@H+]2CC[C@H](Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)C2)CC1 ZINC000575314480 948643074 /nfs/dbraw/zinc/64/30/74/948643074.db2.gz XMJADYVTMMBISC-QHCPKHFHSA-N 2 2 418.541 4.341 50 0 HIAALP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011819652 558282943 /nfs/dbraw/zinc/28/29/43/558282943.db2.gz REFNZGXFUSIEJN-FQEVSTJZSA-N 2 2 410.949 4.169 50 0 HIAALP Cc1[nH+]c2ccccc2n1CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000011819652 558282944 /nfs/dbraw/zinc/28/29/44/558282944.db2.gz REFNZGXFUSIEJN-FQEVSTJZSA-N 2 2 410.949 4.169 50 0 HIAALP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3CCn3cc[nH+]c3)n2)cc1 ZINC000012316930 558380294 /nfs/dbraw/zinc/38/02/94/558380294.db2.gz YFXDDFAAJCGHKD-QGZVFWFLSA-N 2 2 405.424 4.397 50 0 HIAALP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CCn3cc[nH+]c3)n2)cc1 ZINC000012316930 558380296 /nfs/dbraw/zinc/38/02/96/558380296.db2.gz YFXDDFAAJCGHKD-QGZVFWFLSA-N 2 2 405.424 4.397 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835405 558477766 /nfs/dbraw/zinc/47/77/66/558477766.db2.gz HOYLVKNZWUGEJS-FQEVSTJZSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835405 558477768 /nfs/dbraw/zinc/47/77/68/558477768.db2.gz HOYLVKNZWUGEJS-FQEVSTJZSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835405 558477770 /nfs/dbraw/zinc/47/77/70/558477770.db2.gz HOYLVKNZWUGEJS-FQEVSTJZSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835405 558477772 /nfs/dbraw/zinc/47/77/72/558477772.db2.gz HOYLVKNZWUGEJS-FQEVSTJZSA-N 2 2 400.588 4.346 50 0 HIAALP Cc1nnc([C@@H]2CC3(C[N@@H+]2Cc2cccnc2)CC[NH+](CCc2ccccc2)CC3)o1 ZINC000257188595 854234119 /nfs/dbraw/zinc/23/41/19/854234119.db2.gz FUJXZBUKFVFSSS-QHCPKHFHSA-N 2 2 417.557 4.045 50 0 HIAALP Cc1nnc([C@@H]2CC3(C[N@H+]2Cc2cccnc2)CC[NH+](CCc2ccccc2)CC3)o1 ZINC000257188595 854234126 /nfs/dbraw/zinc/23/41/26/854234126.db2.gz FUJXZBUKFVFSSS-QHCPKHFHSA-N 2 2 417.557 4.045 50 0 HIAALP OC[C@@]1(CCCc2ccccc2)CCC[N@@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012076221 558319904 /nfs/dbraw/zinc/31/99/04/558319904.db2.gz NEZALBHPXJDXRA-SANMLTNESA-N 2 2 407.602 4.143 50 0 HIAALP OC[C@@]1(CCCc2ccccc2)CCC[N@H+](C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000012076221 558319906 /nfs/dbraw/zinc/31/99/06/558319906.db2.gz NEZALBHPXJDXRA-SANMLTNESA-N 2 2 407.602 4.143 50 0 HIAALP Cn1c2c(c3c1CC[N@@H+](C)[C@@H]3c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)[NH+](C)CC2 ZINC000013110723 558515402 /nfs/dbraw/zinc/51/54/02/558515402.db2.gz AWJNVDVMXBWHKB-JWQCQUIFSA-N 2 2 407.508 4.458 50 0 HIAALP Cn1c2c(c3c1CC[N@H+](C)[C@@H]3c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)[NH+](C)CC2 ZINC000013110723 558515404 /nfs/dbraw/zinc/51/54/04/558515404.db2.gz AWJNVDVMXBWHKB-JWQCQUIFSA-N 2 2 407.508 4.458 50 0 HIAALP Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000095446457 568612076 /nfs/dbraw/zinc/61/20/76/568612076.db2.gz UGZJUICQOFVDAB-LEWJYISDSA-N 2 2 407.002 4.449 50 0 HIAALP Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000095446457 568612077 /nfs/dbraw/zinc/61/20/77/568612077.db2.gz UGZJUICQOFVDAB-LEWJYISDSA-N 2 2 407.002 4.449 50 0 HIAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@H](O)c2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000000858790 568713353 /nfs/dbraw/zinc/71/33/53/568713353.db2.gz YTILIDHNOSRDBJ-FQEVSTJZSA-N 2 2 421.372 4.304 50 0 HIAALP CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(C(F)(F)F)cc2)C1=N ZINC000253470665 569381094 /nfs/dbraw/zinc/38/10/94/569381094.db2.gz WWZBPOGINUQJRS-UHFFFAOYSA-N 2 2 418.463 4.166 50 0 HIAALP CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(=O)c2ccc(C(F)(F)F)cc2)C1=N ZINC000253470665 569381095 /nfs/dbraw/zinc/38/10/95/569381095.db2.gz WWZBPOGINUQJRS-UHFFFAOYSA-N 2 2 418.463 4.166 50 0 HIAALP COc1ccc(-n2cc(C[NH2+]CCc3[nH]cc(C)[nH+]3)c(-c3cccc(F)c3)n2)cc1 ZINC000011819648 845836852 /nfs/dbraw/zinc/83/68/52/845836852.db2.gz IXXSNFVUCOOPNQ-UHFFFAOYSA-N 2 2 405.477 4.051 50 0 HIAALP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000012438656 132360080 /nfs/dbraw/zinc/36/00/80/132360080.db2.gz SCZLHKYQXYGNIK-HSZRJFAPSA-N 2 2 420.601 4.039 50 0 HIAALP Cc1ccc(C)c(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000012438656 132360081 /nfs/dbraw/zinc/36/00/81/132360081.db2.gz SCZLHKYQXYGNIK-HSZRJFAPSA-N 2 2 420.601 4.039 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(F)c1 ZINC000011873975 558291672 /nfs/dbraw/zinc/29/16/72/558291672.db2.gz BNRIYFSWLSQTQO-VWLOTQADSA-N 2 2 420.532 4.215 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(F)c1 ZINC000011873975 558291676 /nfs/dbraw/zinc/29/16/76/558291676.db2.gz BNRIYFSWLSQTQO-VWLOTQADSA-N 2 2 420.532 4.215 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(F)c1 ZINC000011873975 558291678 /nfs/dbraw/zinc/29/16/78/558291678.db2.gz BNRIYFSWLSQTQO-VWLOTQADSA-N 2 2 420.532 4.215 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(F)c1 ZINC000011873975 558291682 /nfs/dbraw/zinc/29/16/82/558291682.db2.gz BNRIYFSWLSQTQO-VWLOTQADSA-N 2 2 420.532 4.215 50 0 HIAALP Cc1csc(C[N@@H+](C)Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)n1 ZINC000012051831 558314326 /nfs/dbraw/zinc/31/43/26/558314326.db2.gz GASNRYPJBIHFCV-OAQYLSRUSA-N 2 2 417.619 4.088 50 0 HIAALP Cc1csc(C[N@H+](C)Cc2cccc(OC[C@H](O)C[NH+](C)C3CCCCC3)c2)n1 ZINC000012051831 558314328 /nfs/dbraw/zinc/31/43/28/558314328.db2.gz GASNRYPJBIHFCV-OAQYLSRUSA-N 2 2 417.619 4.088 50 0 HIAALP Cc1csc(C[NH+](C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)n1 ZINC000012051831 558314332 /nfs/dbraw/zinc/31/43/32/558314332.db2.gz GASNRYPJBIHFCV-OAQYLSRUSA-N 2 2 417.619 4.088 50 0 HIAALP Cc1csc(C[NH+](C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000012051831 558314334 /nfs/dbraw/zinc/31/43/34/558314334.db2.gz GASNRYPJBIHFCV-OAQYLSRUSA-N 2 2 417.619 4.088 50 0 HIAALP CN(CC1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012446037 558414101 /nfs/dbraw/zinc/41/41/01/558414101.db2.gz KUPDQQUXBBHHOQ-UHFFFAOYSA-N 2 2 420.532 4.038 50 0 HIAALP Cc1cc(C[NH+]2CCN(c3cc(C)[nH+]c4ccc(OC(F)(F)F)cc43)CC2)no1 ZINC000072286168 558717064 /nfs/dbraw/zinc/71/70/64/558717064.db2.gz JRFLIWHBSWPCIF-UHFFFAOYSA-N 2 2 406.408 4.060 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C)c1O)[C@@H](C)[N@H+](C)CC2 ZINC000035618496 558794600 /nfs/dbraw/zinc/79/46/00/558794600.db2.gz PWFLHIQSZMYWPN-LSDHHAIUSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C)c1O)[C@@H](C)[N@@H+](C)CC2 ZINC000035618496 558794603 /nfs/dbraw/zinc/79/46/03/558794603.db2.gz PWFLHIQSZMYWPN-LSDHHAIUSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C)c1O)[C@@H](C)[NH+](C)CC2 ZINC000035618496 558794604 /nfs/dbraw/zinc/79/46/04/558794604.db2.gz PWFLHIQSZMYWPN-LSDHHAIUSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C)c1O)[C@@H](C)[NH+](C)CC2 ZINC000035618496 558794607 /nfs/dbraw/zinc/79/46/07/558794607.db2.gz PWFLHIQSZMYWPN-LSDHHAIUSA-N 2 2 412.530 4.300 50 0 HIAALP CC[N@@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(COC)o2)C[C@@]1(C)CO ZINC000019113265 558841892 /nfs/dbraw/zinc/84/18/92/558841892.db2.gz UFWOPXKBLKMBLM-WTNAPCKOSA-N 2 2 406.954 4.003 50 0 HIAALP CC[N@H+]1[C@@H](c2ccc(Cl)cc2)[C@@H](C[NH2+]Cc2ccc(COC)o2)C[C@@]1(C)CO ZINC000019113265 558841895 /nfs/dbraw/zinc/84/18/95/558841895.db2.gz UFWOPXKBLKMBLM-WTNAPCKOSA-N 2 2 406.954 4.003 50 0 HIAALP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4sc5ccccc5c4s3)CC2)CC1 ZINC000050800774 559274723 /nfs/dbraw/zinc/27/47/23/559274723.db2.gz CLWMUURHRADECO-UHFFFAOYSA-N 2 2 413.612 4.404 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C)c1O)[C@H](C)[N@H+](C)CC2 ZINC000245240399 568736077 /nfs/dbraw/zinc/73/60/77/568736077.db2.gz PWFLHIQSZMYWPN-GJZGRUSLSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[NH+](C)[C@H]4C)c1O)[C@H](C)[N@@H+](C)CC2 ZINC000245240399 568736079 /nfs/dbraw/zinc/73/60/79/568736079.db2.gz PWFLHIQSZMYWPN-GJZGRUSLSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@H]4C)c1O)[C@H](C)[NH+](C)CC2 ZINC000245240399 568736080 /nfs/dbraw/zinc/73/60/80/568736080.db2.gz PWFLHIQSZMYWPN-GJZGRUSLSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C)c1O)[C@H](C)[NH+](C)CC2 ZINC000245240399 568736082 /nfs/dbraw/zinc/73/60/82/568736082.db2.gz PWFLHIQSZMYWPN-GJZGRUSLSA-N 2 2 412.530 4.300 50 0 HIAALP C[N@H+](C[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421697 569061731 /nfs/dbraw/zinc/06/17/31/569061731.db2.gz BGETTWAMHRDTQJ-AREMUKBSSA-N 2 2 415.581 4.266 50 0 HIAALP C[N@@H+](C[C@@H](NC(=O)Cc1cccc2ccccc21)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421697 569061732 /nfs/dbraw/zinc/06/17/32/569061732.db2.gz BGETTWAMHRDTQJ-AREMUKBSSA-N 2 2 415.581 4.266 50 0 HIAALP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C1)CCCC2 ZINC000170616698 569247548 /nfs/dbraw/zinc/24/75/48/569247548.db2.gz FBPQUYHVPWLHRL-GOSISDBHSA-N 2 2 422.554 4.370 50 0 HIAALP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C1)CCCC2 ZINC000170616698 569247549 /nfs/dbraw/zinc/24/75/49/569247549.db2.gz FBPQUYHVPWLHRL-GOSISDBHSA-N 2 2 422.554 4.370 50 0 HIAALP Cc1ccc(CSc2[nH+]ccc3c2ccn3CC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000033298602 571316080 /nfs/dbraw/zinc/31/60/80/571316080.db2.gz YSENTGRFBATIFE-UHFFFAOYSA-N 2 2 422.598 4.239 50 0 HIAALP COCC[N@@H+](Cc1cccc(C(C)=O)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818793 845836920 /nfs/dbraw/zinc/83/69/20/845836920.db2.gz HCDRWVRXORMTAC-HSZRJFAPSA-N 2 2 420.597 4.217 50 0 HIAALP COCC[N@H+](Cc1cccc(C(C)=O)c1)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818793 845836922 /nfs/dbraw/zinc/83/69/22/845836922.db2.gz HCDRWVRXORMTAC-HSZRJFAPSA-N 2 2 420.597 4.217 50 0 HIAALP COCC[NH+](Cc1cccc(C(C)=O)c1)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818793 845836927 /nfs/dbraw/zinc/83/69/27/845836927.db2.gz HCDRWVRXORMTAC-HSZRJFAPSA-N 2 2 420.597 4.217 50 0 HIAALP COCC[NH+](Cc1cccc(C(C)=O)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818793 845836930 /nfs/dbraw/zinc/83/69/30/845836930.db2.gz HCDRWVRXORMTAC-HSZRJFAPSA-N 2 2 420.597 4.217 50 0 HIAALP COCC[N@@H+](Cc1cccc(C(C)=O)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818792 845837073 /nfs/dbraw/zinc/83/70/73/845837073.db2.gz HCDRWVRXORMTAC-QHCPKHFHSA-N 2 2 420.597 4.217 50 0 HIAALP COCC[N@H+](Cc1cccc(C(C)=O)c1)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818792 845837078 /nfs/dbraw/zinc/83/70/78/845837078.db2.gz HCDRWVRXORMTAC-QHCPKHFHSA-N 2 2 420.597 4.217 50 0 HIAALP COCC[NH+](Cc1cccc(C(C)=O)c1)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818792 845837081 /nfs/dbraw/zinc/83/70/81/845837081.db2.gz HCDRWVRXORMTAC-QHCPKHFHSA-N 2 2 420.597 4.217 50 0 HIAALP COCC[NH+](Cc1cccc(C(C)=O)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818792 845837083 /nfs/dbraw/zinc/83/70/83/845837083.db2.gz HCDRWVRXORMTAC-QHCPKHFHSA-N 2 2 420.597 4.217 50 0 HIAALP O=C(C[NH+]1CCCCCC1)N1CCC(Cc2ccc(COc3cc[nH+]cc3)cc2)CC1 ZINC000575551783 948676524 /nfs/dbraw/zinc/67/65/24/948676524.db2.gz HDBDFMJPSVFEHP-UHFFFAOYSA-N 2 2 421.585 4.318 50 0 HIAALP CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000040719650 519777584 /nfs/dbraw/zinc/77/75/84/519777584.db2.gz MNSFFPGNVDNSFI-UHFFFAOYSA-N 2 2 408.178 4.040 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843471 558288364 /nfs/dbraw/zinc/28/83/64/558288364.db2.gz OSLNEOGOAPSNCS-NRFANRHFSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843471 558288365 /nfs/dbraw/zinc/28/83/65/558288365.db2.gz OSLNEOGOAPSNCS-NRFANRHFSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843471 558288368 /nfs/dbraw/zinc/28/83/68/558288368.db2.gz OSLNEOGOAPSNCS-NRFANRHFSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843471 558288371 /nfs/dbraw/zinc/28/83/71/558288371.db2.gz OSLNEOGOAPSNCS-NRFANRHFSA-N 2 2 412.574 4.099 50 0 HIAALP C[C@H](NC(=O)c1cccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1)c1ccccc1 ZINC000020451416 558365802 /nfs/dbraw/zinc/36/58/02/558365802.db2.gz ASMVYMMPTIHPFE-FQEVSTJZSA-N 2 2 421.585 4.115 50 0 HIAALP c1ccc(-c2[nH]c(-c3ccccc3)c(C[NH+]3CCOCC3)c2C[NH+]2CCOCC2)cc1 ZINC000022521206 558494751 /nfs/dbraw/zinc/49/47/51/558494751.db2.gz LLCQFZLAWPZAEJ-UHFFFAOYSA-N 2 2 417.553 4.013 50 0 HIAALP Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000015068706 558711164 /nfs/dbraw/zinc/71/11/64/558711164.db2.gz CXXDZTOKEFLCEA-QFIPXVFZSA-N 2 2 416.569 4.207 50 0 HIAALP Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000015068706 558711167 /nfs/dbraw/zinc/71/11/67/558711167.db2.gz CXXDZTOKEFLCEA-QFIPXVFZSA-N 2 2 416.569 4.207 50 0 HIAALP CN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000095446446 568612010 /nfs/dbraw/zinc/61/20/10/568612010.db2.gz ZRAOIVLDVHSHPI-PMACEKPBSA-N 2 2 410.965 4.280 50 0 HIAALP CN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000095446446 568612013 /nfs/dbraw/zinc/61/20/13/568612013.db2.gz ZRAOIVLDVHSHPI-PMACEKPBSA-N 2 2 410.965 4.280 50 0 HIAALP O=C1[C@@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)CCCN1c1ccccc1Cl ZINC000095968506 568670694 /nfs/dbraw/zinc/67/06/94/568670694.db2.gz IBKDXQCPXPALGQ-NRFANRHFSA-N 2 2 415.940 4.229 50 0 HIAALP CC[NH+](CC)CCn1c2ccccc2n(C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1=[NH2+] ZINC000000858791 568713486 /nfs/dbraw/zinc/71/34/86/568713486.db2.gz YTILIDHNOSRDBJ-HXUWFJFHSA-N 2 2 421.372 4.304 50 0 HIAALP C[NH+](C)CCC[NH2+]Cc1nn(Cc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 ZINC000261492573 568820560 /nfs/dbraw/zinc/82/05/60/568820560.db2.gz ZINBAQJJXGXYNC-UHFFFAOYSA-N 2 2 418.372 4.342 50 0 HIAALP CC(C)CN(CC[NH+](C)C)C(=O)c1ccc(SCc2cn3ccccc3[nH+]2)cc1 ZINC000084544218 568950945 /nfs/dbraw/zinc/95/09/45/568950945.db2.gz VHNZVEAEOVPZPC-UHFFFAOYSA-N 2 2 410.587 4.286 50 0 HIAALP Cc1ccc(C[N@@H+]2CCCN(C(=O)CCSCc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000040087009 571157593 /nfs/dbraw/zinc/15/75/93/571157593.db2.gz GRJIBRXIYMFUSL-UHFFFAOYSA-N 2 2 422.598 4.001 50 0 HIAALP Cc1ccc(C[N@H+]2CCCN(C(=O)CCSCc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000040087009 571157595 /nfs/dbraw/zinc/15/75/95/571157595.db2.gz GRJIBRXIYMFUSL-UHFFFAOYSA-N 2 2 422.598 4.001 50 0 HIAALP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000040112302 571170600 /nfs/dbraw/zinc/17/06/00/571170600.db2.gz VZXMHHJYURUXFH-FQEVSTJZSA-N 2 2 402.542 4.093 50 0 HIAALP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000040112302 571170602 /nfs/dbraw/zinc/17/06/02/571170602.db2.gz VZXMHHJYURUXFH-FQEVSTJZSA-N 2 2 402.542 4.093 50 0 HIAALP C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[NH+](C[C@H]1CC=CCC1)CCO2 ZINC000299797565 854281860 /nfs/dbraw/zinc/28/18/60/854281860.db2.gz OERKDSGDOKQOJH-IBGZPJMESA-N 2 2 406.574 4.470 50 0 HIAALP C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[NH+](C[C@H]1CC=CCC1)CCO2 ZINC000299797565 854281870 /nfs/dbraw/zinc/28/18/70/854281870.db2.gz OERKDSGDOKQOJH-IBGZPJMESA-N 2 2 406.574 4.470 50 0 HIAALP C[NH+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[N@@H+](C[C@H]1CC=CCC1)CCO2 ZINC000299797565 854281877 /nfs/dbraw/zinc/28/18/77/854281877.db2.gz OERKDSGDOKQOJH-IBGZPJMESA-N 2 2 406.574 4.470 50 0 HIAALP C[NH+](Cc1cc(C2CC2)n[nH]1)Cc1ccc2c(c1)C[N@H+](C[C@H]1CC=CCC1)CCO2 ZINC000299797565 854281880 /nfs/dbraw/zinc/28/18/80/854281880.db2.gz OERKDSGDOKQOJH-IBGZPJMESA-N 2 2 406.574 4.470 50 0 HIAALP COc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703480 558270506 /nfs/dbraw/zinc/27/05/06/558270506.db2.gz XSPKMHIAWFOWPR-JOCHJYFZSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703480 558270510 /nfs/dbraw/zinc/27/05/10/558270510.db2.gz XSPKMHIAWFOWPR-JOCHJYFZSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703480 558270515 /nfs/dbraw/zinc/27/05/15/558270515.db2.gz XSPKMHIAWFOWPR-JOCHJYFZSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703480 558270517 /nfs/dbraw/zinc/27/05/17/558270517.db2.gz XSPKMHIAWFOWPR-JOCHJYFZSA-N 2 2 418.585 4.267 50 0 HIAALP CC[N@@H+](Cc1nc2ccccc2n1C)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020211463 558347419 /nfs/dbraw/zinc/34/74/19/558347419.db2.gz XENOWXUDZOEDRO-OAQYLSRUSA-N 2 2 408.565 4.489 50 0 HIAALP CC[N@H+](Cc1nc2ccccc2n1C)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020211463 558347420 /nfs/dbraw/zinc/34/74/20/558347420.db2.gz XENOWXUDZOEDRO-OAQYLSRUSA-N 2 2 408.565 4.489 50 0 HIAALP CC[NH+](Cc1nc2ccccc2n1C)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020211463 558347422 /nfs/dbraw/zinc/34/74/22/558347422.db2.gz XENOWXUDZOEDRO-OAQYLSRUSA-N 2 2 408.565 4.489 50 0 HIAALP CC[NH+](Cc1nc2ccccc2n1C)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020211463 558347423 /nfs/dbraw/zinc/34/74/23/558347423.db2.gz XENOWXUDZOEDRO-OAQYLSRUSA-N 2 2 408.565 4.489 50 0 HIAALP CN(C)c1ncc(C[N@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301579 558371275 /nfs/dbraw/zinc/37/12/75/558371275.db2.gz KMDCRQINTXNQGX-SFHVURJKSA-N 2 2 407.027 4.249 50 0 HIAALP CN(C)c1ncc(C[N@@H+](C)C[C@@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301579 558371279 /nfs/dbraw/zinc/37/12/79/558371279.db2.gz KMDCRQINTXNQGX-SFHVURJKSA-N 2 2 407.027 4.249 50 0 HIAALP CN(C)c1ncc(C[NH+](C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301579 558371281 /nfs/dbraw/zinc/37/12/81/558371281.db2.gz KMDCRQINTXNQGX-SFHVURJKSA-N 2 2 407.027 4.249 50 0 HIAALP CN(C)c1ncc(C[NH+](C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301579 558371285 /nfs/dbraw/zinc/37/12/85/558371285.db2.gz KMDCRQINTXNQGX-SFHVURJKSA-N 2 2 407.027 4.249 50 0 HIAALP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3CCn3cc[nH+]c3)n2)cc1 ZINC000012316931 558380288 /nfs/dbraw/zinc/38/02/88/558380288.db2.gz YFXDDFAAJCGHKD-KRWDZBQOSA-N 2 2 405.424 4.397 50 0 HIAALP FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3CCn3cc[nH+]c3)n2)cc1 ZINC000012316931 558380289 /nfs/dbraw/zinc/38/02/89/558380289.db2.gz YFXDDFAAJCGHKD-KRWDZBQOSA-N 2 2 405.424 4.397 50 0 HIAALP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1C ZINC000012317446 558380794 /nfs/dbraw/zinc/38/07/94/558380794.db2.gz GADAAJADYMUHKV-HXUWFJFHSA-N 2 2 406.505 4.385 50 0 HIAALP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1C ZINC000012317446 558380796 /nfs/dbraw/zinc/38/07/96/558380796.db2.gz GADAAJADYMUHKV-HXUWFJFHSA-N 2 2 406.505 4.385 50 0 HIAALP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000021702688 558446014 /nfs/dbraw/zinc/44/60/14/558446014.db2.gz HYWBGLHMOCPVLO-UXHICEINSA-N 2 2 409.574 4.149 50 0 HIAALP Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000015068708 558711222 /nfs/dbraw/zinc/71/12/22/558711222.db2.gz CXXDZTOKEFLCEA-JOCHJYFZSA-N 2 2 416.569 4.207 50 0 HIAALP Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000015068708 558711225 /nfs/dbraw/zinc/71/12/25/558711225.db2.gz CXXDZTOKEFLCEA-JOCHJYFZSA-N 2 2 416.569 4.207 50 0 HIAALP C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072407443 558977180 /nfs/dbraw/zinc/97/71/80/558977180.db2.gz JAOZFBRLZIRMPR-RTWAWAEBSA-N 2 2 419.500 4.438 50 0 HIAALP C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072407443 558977184 /nfs/dbraw/zinc/97/71/84/558977184.db2.gz JAOZFBRLZIRMPR-RTWAWAEBSA-N 2 2 419.500 4.438 50 0 HIAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072407443 558977186 /nfs/dbraw/zinc/97/71/86/558977186.db2.gz JAOZFBRLZIRMPR-RTWAWAEBSA-N 2 2 419.500 4.438 50 0 HIAALP C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072407443 558977188 /nfs/dbraw/zinc/97/71/88/558977188.db2.gz JAOZFBRLZIRMPR-RTWAWAEBSA-N 2 2 419.500 4.438 50 0 HIAALP COc1cc(C[NH2+][C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1OCc1c(C)noc1C ZINC000048237364 568433062 /nfs/dbraw/zinc/43/30/62/568433062.db2.gz XANDVHIACACZGL-JOCHJYFZSA-N 2 2 412.534 4.280 50 0 HIAALP COc1cc(C[NH2+][C@@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1OCc1c(C)noc1C ZINC000048237362 568433071 /nfs/dbraw/zinc/43/30/71/568433071.db2.gz XANDVHIACACZGL-QFIPXVFZSA-N 2 2 412.534 4.280 50 0 HIAALP CCc1[nH+]c2ccccc2c(NC(=O)C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1C ZINC000000754666 568471891 /nfs/dbraw/zinc/47/18/91/568471891.db2.gz BJMRTKWNODKMKI-UHFFFAOYSA-N 2 2 421.541 4.236 50 0 biogenic HIAALP CCc1[nH+]c2ccccc2c(NC(=O)C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1C ZINC000000754666 568471893 /nfs/dbraw/zinc/47/18/93/568471893.db2.gz BJMRTKWNODKMKI-UHFFFAOYSA-N 2 2 421.541 4.236 50 0 biogenic HIAALP COCc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917913 /nfs/dbraw/zinc/91/79/13/568917913.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 2 2 402.510 4.062 50 0 HIAALP COCc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917915 /nfs/dbraw/zinc/91/79/15/568917915.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 2 2 402.510 4.062 50 0 HIAALP COCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917917 /nfs/dbraw/zinc/91/79/17/568917917.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 2 2 402.510 4.062 50 0 HIAALP COCc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917919 /nfs/dbraw/zinc/91/79/19/568917919.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 2 2 402.510 4.062 50 0 HIAALP Cc1ccccc1C[N@@H+](Cc1nc(C(=O)NCC[NH+](C)C)co1)[C@H](C)c1ccccc1 ZINC000036073531 569086917 /nfs/dbraw/zinc/08/69/17/569086917.db2.gz IKHMXISKQGONBG-HXUWFJFHSA-N 2 2 420.557 4.038 50 0 HIAALP Cc1ccccc1C[N@H+](Cc1nc(C(=O)NCC[NH+](C)C)co1)[C@H](C)c1ccccc1 ZINC000036073531 569086918 /nfs/dbraw/zinc/08/69/18/569086918.db2.gz IKHMXISKQGONBG-HXUWFJFHSA-N 2 2 420.557 4.038 50 0 HIAALP Fc1ccc(-n2ncc3c2nc[nH+]c3NCc2ccccc2C[NH+]2CCCC2)cc1 ZINC000008944995 571171548 /nfs/dbraw/zinc/17/15/48/571171548.db2.gz WETLXVFMDJBLRX-UHFFFAOYSA-N 2 2 402.477 4.163 50 0 HIAALP Cc1cc2nc(N3CCC([NH2+][C@@H](Cn4cc[nH+]c4)C(C)(C)C)CC3)nc(C)c2cc1C ZINC000014995456 845998111 /nfs/dbraw/zinc/99/81/11/845998111.db2.gz XIZPOCQVVLZTAK-QHCPKHFHSA-N 2 2 420.605 4.425 50 0 HIAALP COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@H+](Cc3c[nH+]c(C)[nH]3)C2)cc1 ZINC000042917346 523139204 /nfs/dbraw/zinc/13/92/04/523139204.db2.gz KFEVVEDGULOEOQ-IBGZPJMESA-N 2 2 404.514 4.244 50 0 HIAALP COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3c[nH+]c(C)[nH]3)C2)cc1 ZINC000042917346 523139214 /nfs/dbraw/zinc/13/92/14/523139214.db2.gz KFEVVEDGULOEOQ-IBGZPJMESA-N 2 2 404.514 4.244 50 0 HIAALP Clc1ccc(COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)cc1Cl ZINC000040719548 526950990 /nfs/dbraw/zinc/95/09/90/526950990.db2.gz DYRKHMJMEYNPQC-UHFFFAOYSA-N 2 2 409.357 4.384 50 0 HIAALP Brc1ccc(OCc2ccccc2)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000010314016 557859391 /nfs/dbraw/zinc/85/93/91/557859391.db2.gz RWZFNDVNTLYNQU-UHFFFAOYSA-N 2 2 400.320 4.405 50 0 HIAALP CC(C)Cc1cc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000011819473 558282605 /nfs/dbraw/zinc/28/26/05/558282605.db2.gz FTMNZZCUTNAZFC-XMMPIXPASA-N 2 2 402.627 4.244 50 0 HIAALP CC(C)Cc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000011819473 558282607 /nfs/dbraw/zinc/28/26/07/558282607.db2.gz FTMNZZCUTNAZFC-XMMPIXPASA-N 2 2 402.627 4.244 50 0 HIAALP CC[N@@H+](Cc1cnc(N(C)C)s1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011932902 558297704 /nfs/dbraw/zinc/29/77/04/558297704.db2.gz DJHBVIPASKYIJR-IBGZPJMESA-N 2 2 404.599 4.125 50 0 HIAALP CC[N@H+](Cc1cnc(N(C)C)s1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011932902 558297708 /nfs/dbraw/zinc/29/77/08/558297708.db2.gz DJHBVIPASKYIJR-IBGZPJMESA-N 2 2 404.599 4.125 50 0 HIAALP CC[NH+](Cc1cnc(N(C)C)s1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011932902 558297711 /nfs/dbraw/zinc/29/77/11/558297711.db2.gz DJHBVIPASKYIJR-IBGZPJMESA-N 2 2 404.599 4.125 50 0 HIAALP CC[NH+](Cc1cnc(N(C)C)s1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011932902 558297713 /nfs/dbraw/zinc/29/77/13/558297713.db2.gz DJHBVIPASKYIJR-IBGZPJMESA-N 2 2 404.599 4.125 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3F)cc2C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000012300782 558370587 /nfs/dbraw/zinc/37/05/87/558370587.db2.gz XCAZXCJQYGRLRN-UHFFFAOYSA-N 2 2 405.477 4.063 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)CCn2cc[nH+]c2)cc1F ZINC000055182613 558875040 /nfs/dbraw/zinc/87/50/40/558875040.db2.gz GEWLMYPXFCPOGO-UHFFFAOYSA-N 2 2 419.504 4.324 50 0 HIAALP COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)CCn2cc[nH+]c2)cc1F ZINC000055182613 558875041 /nfs/dbraw/zinc/87/50/41/558875041.db2.gz GEWLMYPXFCPOGO-UHFFFAOYSA-N 2 2 419.504 4.324 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252572 558877542 /nfs/dbraw/zinc/87/75/42/558877542.db2.gz REJRHQZAWJHBQQ-HXUWFJFHSA-N 2 2 400.538 4.229 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252572 558877545 /nfs/dbraw/zinc/87/75/45/558877545.db2.gz REJRHQZAWJHBQQ-HXUWFJFHSA-N 2 2 400.538 4.229 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252572 558877547 /nfs/dbraw/zinc/87/75/47/558877547.db2.gz REJRHQZAWJHBQQ-HXUWFJFHSA-N 2 2 400.538 4.229 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252572 558877550 /nfs/dbraw/zinc/87/75/50/558877550.db2.gz REJRHQZAWJHBQQ-HXUWFJFHSA-N 2 2 400.538 4.229 50 0 HIAALP Cc1ccc(-c2noc([C@@H](C)[N@H+](C)C3CC[NH+](CCc4ccncc4)CC3)n2)cc1F ZINC000095459785 568619855 /nfs/dbraw/zinc/61/98/55/568619855.db2.gz GZPXTFRVZBIGNH-GOSISDBHSA-N 2 2 423.536 4.279 50 0 HIAALP Cc1ccc(-c2noc([C@@H](C)[N@@H+](C)C3CC[NH+](CCc4ccncc4)CC3)n2)cc1F ZINC000095459785 568619857 /nfs/dbraw/zinc/61/98/57/568619857.db2.gz GZPXTFRVZBIGNH-GOSISDBHSA-N 2 2 423.536 4.279 50 0 HIAALP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000095945470 568663592 /nfs/dbraw/zinc/66/35/92/568663592.db2.gz OVCPNPRBEQLVDK-RXVVDRJESA-N 2 2 402.583 4.028 50 0 HIAALP Cn1c2c(c3c1CC[N@@H+](C)[C@H]3c1ccc(F)cc1)[C@H](c1ccc(F)cc1)[NH+](C)CC2 ZINC000001244293 568908453 /nfs/dbraw/zinc/90/84/53/568908453.db2.gz AWJNVDVMXBWHKB-DQEYMECFSA-N 2 2 407.508 4.458 50 0 HIAALP Cn1c2c(c3c1CC[N@H+](C)[C@H]3c1ccc(F)cc1)[C@H](c1ccc(F)cc1)[NH+](C)CC2 ZINC000001244293 568908455 /nfs/dbraw/zinc/90/84/55/568908455.db2.gz AWJNVDVMXBWHKB-DQEYMECFSA-N 2 2 407.508 4.458 50 0 HIAALP CSc1ncc(C[N@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132430 849975945 /nfs/dbraw/zinc/97/59/45/849975945.db2.gz LGPOYAFFIWSAFG-GOSISDBHSA-N 2 2 405.011 4.238 50 0 HIAALP CSc1ncc(C[N@@H+](C)C[C@H]2CCC[NH+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132430 849975956 /nfs/dbraw/zinc/97/59/56/849975956.db2.gz LGPOYAFFIWSAFG-GOSISDBHSA-N 2 2 405.011 4.238 50 0 HIAALP CSc1ncc(C[NH+](C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132430 849975967 /nfs/dbraw/zinc/97/59/67/849975967.db2.gz LGPOYAFFIWSAFG-GOSISDBHSA-N 2 2 405.011 4.238 50 0 HIAALP CSc1ncc(C[NH+](C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132430 849975977 /nfs/dbraw/zinc/97/59/77/849975977.db2.gz LGPOYAFFIWSAFG-GOSISDBHSA-N 2 2 405.011 4.238 50 0 HIAALP Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cc1C ZINC000012298194 132358205 /nfs/dbraw/zinc/35/82/05/132358205.db2.gz LYTVLXQXRIKCPF-QHCPKHFHSA-N 2 2 420.601 4.039 50 0 HIAALP Cc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cc1C ZINC000012298194 132358206 /nfs/dbraw/zinc/35/82/06/132358206.db2.gz LYTVLXQXRIKCPF-QHCPKHFHSA-N 2 2 420.601 4.039 50 0 HIAALP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000012592407 132364757 /nfs/dbraw/zinc/36/47/57/132364757.db2.gz FFALMJAEKGUGAI-HSZRJFAPSA-N 2 2 420.601 4.039 50 0 HIAALP Cc1cc(C)cc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000012592407 132364758 /nfs/dbraw/zinc/36/47/58/132364758.db2.gz FFALMJAEKGUGAI-HSZRJFAPSA-N 2 2 420.601 4.039 50 0 HIAALP O=C(C[NH+]1CCCCC1)Nc1c2c([nH+]c3ccccc31)N(Cc1ccccc1)CC2 ZINC000002255623 557679763 /nfs/dbraw/zinc/67/97/63/557679763.db2.gz QGIGMGCKKMNIBJ-UHFFFAOYSA-N 2 2 400.526 4.222 50 0 HIAALP CCc1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000012447926 558415233 /nfs/dbraw/zinc/41/52/33/558415233.db2.gz NMUBKESEDOIYCP-UHFFFAOYSA-N 3 2 410.606 4.045 50 0 HIAALP CCc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000012447926 558415234 /nfs/dbraw/zinc/41/52/34/558415234.db2.gz NMUBKESEDOIYCP-UHFFFAOYSA-N 3 2 410.606 4.045 50 0 HIAALP Cn1cc(C[NH+]2CCC([NH+]3CCOCC3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000012708778 558450995 /nfs/dbraw/zinc/45/09/95/558450995.db2.gz IUHJIPKODVBSJB-UHFFFAOYSA-N 2 2 422.617 4.431 50 0 HIAALP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000014094983 558619781 /nfs/dbraw/zinc/61/97/81/558619781.db2.gz LXJXEXLBRKXJTF-UHFFFAOYSA-N 2 2 420.601 4.343 50 0 HIAALP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000014094983 558619783 /nfs/dbraw/zinc/61/97/83/558619783.db2.gz LXJXEXLBRKXJTF-UHFFFAOYSA-N 2 2 420.601 4.343 50 0 HIAALP Cc1cc(N2CC[NH+](Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2)cc(C)[nH+]1 ZINC000019146497 558846781 /nfs/dbraw/zinc/84/67/81/558846781.db2.gz UMXSSYGBKFUVNP-UHFFFAOYSA-N 2 2 417.435 4.089 50 0 HIAALP COc1cc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCCCC2)cc(OC)c1OC ZINC000000809667 568487556 /nfs/dbraw/zinc/48/75/56/568487556.db2.gz ZTERSDYOTIWKLT-UHFFFAOYSA-N 2 2 424.545 4.160 50 0 HIAALP COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)n2)ccc1C ZINC000095462679 568621748 /nfs/dbraw/zinc/62/17/48/568621748.db2.gz FJFPICVKRZYQGR-INIZCTEOSA-N 2 2 403.486 4.399 50 0 HIAALP Cc1cc2c(C)nc(N3CCC([NH2+][C@H](Cn4cc[nH+]c4)C(C)(C)C)CC3)nc2cc1F ZINC000299768045 568873921 /nfs/dbraw/zinc/87/39/21/568873921.db2.gz FHZHQEGZIDHYKP-JOCHJYFZSA-N 2 2 424.568 4.256 50 0 HIAALP Cn1c2c(c3c1CC[N@@H+](C)[C@@H]3c1ccccc1F)[C@@H](c1ccccc1F)[NH+](C)CC2 ZINC000001247489 568908587 /nfs/dbraw/zinc/90/85/87/568908587.db2.gz OPDVBRFXDTXMET-JWQCQUIFSA-N 2 2 407.508 4.458 50 0 HIAALP Cn1c2c(c3c1CC[N@H+](C)[C@@H]3c1ccccc1F)[C@@H](c1ccccc1F)[NH+](C)CC2 ZINC000001247489 568908588 /nfs/dbraw/zinc/90/85/88/568908588.db2.gz OPDVBRFXDTXMET-JWQCQUIFSA-N 2 2 407.508 4.458 50 0 HIAALP COCc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917943 /nfs/dbraw/zinc/91/79/43/568917943.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 2 2 402.510 4.062 50 0 HIAALP COCc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917944 /nfs/dbraw/zinc/91/79/44/568917944.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 2 2 402.510 4.062 50 0 HIAALP COCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917947 /nfs/dbraw/zinc/91/79/47/568917947.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 2 2 402.510 4.062 50 0 HIAALP COCc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917949 /nfs/dbraw/zinc/91/79/49/568917949.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 2 2 402.510 4.062 50 0 HIAALP O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012431041 569401365 /nfs/dbraw/zinc/40/13/65/569401365.db2.gz OBXAQYFZXPBRKV-QFIPXVFZSA-N 2 2 420.553 4.017 50 0 HIAALP O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012431041 569401366 /nfs/dbraw/zinc/40/13/66/569401366.db2.gz OBXAQYFZXPBRKV-QFIPXVFZSA-N 2 2 420.553 4.017 50 0 HIAALP CCCOc1c(Br)cc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000020967903 558425203 /nfs/dbraw/zinc/42/52/03/558425203.db2.gz XSDNEUKMYCKZJQ-UHFFFAOYSA-N 2 2 408.178 4.042 50 0 HIAALP COCC[N@@H+](Cc1cc(F)ccc1F)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014973291 558688267 /nfs/dbraw/zinc/68/82/67/558688267.db2.gz XURXTJKSMHSSFV-IBGZPJMESA-N 2 2 414.540 4.293 50 0 HIAALP COCC[N@H+](Cc1cc(F)ccc1F)C[C@@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000014973291 558688270 /nfs/dbraw/zinc/68/82/70/558688270.db2.gz XURXTJKSMHSSFV-IBGZPJMESA-N 2 2 414.540 4.293 50 0 HIAALP COCC[NH+](Cc1cc(F)ccc1F)C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000014973291 558688271 /nfs/dbraw/zinc/68/82/71/558688271.db2.gz XURXTJKSMHSSFV-IBGZPJMESA-N 2 2 414.540 4.293 50 0 HIAALP COCC[NH+](Cc1cc(F)ccc1F)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014973291 558688273 /nfs/dbraw/zinc/68/82/73/558688273.db2.gz XURXTJKSMHSSFV-IBGZPJMESA-N 2 2 414.540 4.293 50 0 HIAALP Cc1ccc(-c2cccc(C[NH+]3CCC([NH+]4CCC(C(=O)NC(C)C)CC4)CC3)c2)o1 ZINC000014974127 558688601 /nfs/dbraw/zinc/68/86/01/558688601.db2.gz YDEOOVBSHSEMBQ-UHFFFAOYSA-N 2 2 423.601 4.456 50 0 HIAALP Cc1[nH+]ccn1Cc1ccc(NC(=O)Nc2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000036646421 558800816 /nfs/dbraw/zinc/80/08/16/558800816.db2.gz GGUZRIPVWITXPZ-UHFFFAOYSA-N 2 2 400.486 4.437 50 0 HIAALP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000058022992 558895902 /nfs/dbraw/zinc/89/59/02/558895902.db2.gz JDLKDDRRVXMPOW-JOCHJYFZSA-N 2 2 406.530 4.105 50 0 HIAALP c1c(C23CC4CC(CC(C4)C2)C3)[nH+]c2n1c1ccccc1n2CC[NH+]1CCOCC1 ZINC000019595110 558945801 /nfs/dbraw/zinc/94/58/01/558945801.db2.gz COVUSQARJNUAJS-UHFFFAOYSA-N 2 2 404.558 4.089 50 0 HIAALP C[NH+](C)CCC[NH2+]Cc1nn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1 ZINC000261492022 568820468 /nfs/dbraw/zinc/82/04/68/568820468.db2.gz PRFAGVAJXLLOQN-UHFFFAOYSA-N 2 2 418.372 4.342 50 0 HIAALP CN(C(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000222018453 569039750 /nfs/dbraw/zinc/03/97/50/569039750.db2.gz ZRAOIVLDVHSHPI-VQTJNVASSA-N 2 2 410.965 4.280 50 0 HIAALP CN(C(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000222018453 569039751 /nfs/dbraw/zinc/03/97/51/569039751.db2.gz ZRAOIVLDVHSHPI-VQTJNVASSA-N 2 2 410.965 4.280 50 0 HIAALP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000078875824 569421027 /nfs/dbraw/zinc/42/10/27/569421027.db2.gz BJIFLELQBSDAPB-UHFFFAOYSA-N 2 2 424.548 4.250 50 0 HIAALP CCOc1ccc2[nH+]cc(C(=O)c3ccc(C)cc3)c(N3CC[NH+](CC)CC3)c2c1 ZINC000004314054 535444970 /nfs/dbraw/zinc/44/49/70/535444970.db2.gz VZNSTUUPRDRVSP-UHFFFAOYSA-N 2 2 403.526 4.315 50 0 HIAALP COc1ccccc1N1CC[NH+](C2CC[NH+](Cc3ccc(SC)cc3)CC2)CC1 ZINC000004712104 537068438 /nfs/dbraw/zinc/06/84/38/537068438.db2.gz SJZCJEYYOCPIIE-UHFFFAOYSA-N 2 2 411.615 4.204 50 0 HIAALP COc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1OCc1ccc(F)cc1Cl ZINC000010314087 557859542 /nfs/dbraw/zinc/85/95/42/557859542.db2.gz AKRJIVAPXILKEA-UHFFFAOYSA-N 2 2 403.885 4.443 50 0 HIAALP CCCCc1[nH]c(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH+]1 ZINC000011664745 558268225 /nfs/dbraw/zinc/26/82/25/558268225.db2.gz DYMCDHUEPWYHCO-OAQYLSRUSA-N 2 2 424.633 4.080 50 0 HIAALP CCCCc1[nH]c(CN(CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c[nH+]1 ZINC000011664745 558268228 /nfs/dbraw/zinc/26/82/28/558268228.db2.gz DYMCDHUEPWYHCO-OAQYLSRUSA-N 2 2 424.633 4.080 50 0 HIAALP CCCCc1[nH]cc(CN(CCOC)C[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000011664745 558268230 /nfs/dbraw/zinc/26/82/30/558268230.db2.gz DYMCDHUEPWYHCO-OAQYLSRUSA-N 2 2 424.633 4.080 50 0 HIAALP CCCCc1[nH]cc(CN(CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000011664745 558268234 /nfs/dbraw/zinc/26/82/34/558268234.db2.gz DYMCDHUEPWYHCO-OAQYLSRUSA-N 2 2 424.633 4.080 50 0 HIAALP Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c1 ZINC000012449142 558415836 /nfs/dbraw/zinc/41/58/36/558415836.db2.gz HWEKKQQOZKKSEJ-HSZRJFAPSA-N 2 2 423.511 4.177 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C)c1O)[C@@H](C)[N@H+](C)CC2 ZINC000024718378 558608814 /nfs/dbraw/zinc/60/88/14/558608814.db2.gz PWFLHIQSZMYWPN-HUUCEWRRSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[NH+](C)[C@@H]4C)c1O)[C@@H](C)[N@@H+](C)CC2 ZINC000024718378 558608816 /nfs/dbraw/zinc/60/88/16/558608816.db2.gz PWFLHIQSZMYWPN-HUUCEWRRSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@@H+](C)[C@@H]4C)c1O)[C@@H](C)[NH+](C)CC2 ZINC000024718378 558608820 /nfs/dbraw/zinc/60/88/20/558608820.db2.gz PWFLHIQSZMYWPN-HUUCEWRRSA-N 2 2 412.530 4.300 50 0 HIAALP COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C)c1O)[C@@H](C)[NH+](C)CC2 ZINC000024718378 558608823 /nfs/dbraw/zinc/60/88/23/558608823.db2.gz PWFLHIQSZMYWPN-HUUCEWRRSA-N 2 2 412.530 4.300 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950711 558681089 /nfs/dbraw/zinc/68/10/89/558681089.db2.gz RDFAZHNVPJSAGS-HXUWFJFHSA-N 2 2 413.631 4.417 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950711 558681091 /nfs/dbraw/zinc/68/10/91/558681091.db2.gz RDFAZHNVPJSAGS-HXUWFJFHSA-N 2 2 413.631 4.417 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950711 558681095 /nfs/dbraw/zinc/68/10/95/558681095.db2.gz RDFAZHNVPJSAGS-HXUWFJFHSA-N 2 2 413.631 4.417 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950711 558681098 /nfs/dbraw/zinc/68/10/98/558681098.db2.gz RDFAZHNVPJSAGS-HXUWFJFHSA-N 2 2 413.631 4.417 50 0 HIAALP OC[C@]1(CCCc2ccccc2)CCC[N@@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000015066418 558709359 /nfs/dbraw/zinc/70/93/59/558709359.db2.gz YPDPKVCIQWGTHB-AREMUKBSSA-N 2 2 407.602 4.143 50 0 HIAALP OC[C@]1(CCCc2ccccc2)CCC[N@H+](C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000015066418 558709360 /nfs/dbraw/zinc/70/93/60/558709360.db2.gz YPDPKVCIQWGTHB-AREMUKBSSA-N 2 2 407.602 4.143 50 0 HIAALP C[C@H](C[NH+]1CCN(C[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903310 559088751 /nfs/dbraw/zinc/08/87/51/559088751.db2.gz BHBWNYBKKMRJJJ-BWKNWUBXSA-N 2 2 423.576 4.099 50 0 HIAALP Cc1ccc(-c2noc([C@H](C)[N@H+](C)C3CC[NH+](CCc4ccncc4)CC3)n2)cc1F ZINC000095459786 568619779 /nfs/dbraw/zinc/61/97/79/568619779.db2.gz GZPXTFRVZBIGNH-SFHVURJKSA-N 2 2 423.536 4.279 50 0 HIAALP Cc1ccc(-c2noc([C@H](C)[N@@H+](C)C3CC[NH+](CCc4ccncc4)CC3)n2)cc1F ZINC000095459786 568619780 /nfs/dbraw/zinc/61/97/80/568619780.db2.gz GZPXTFRVZBIGNH-SFHVURJKSA-N 2 2 423.536 4.279 50 0 HIAALP Clc1ccccc1Cn1nc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000261492027 568820347 /nfs/dbraw/zinc/82/03/47/568820347.db2.gz QBDSHCZBEMMOBD-UHFFFAOYSA-N 2 2 406.921 4.023 50 0 HIAALP Fc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067667 571134626 /nfs/dbraw/zinc/13/46/26/571134626.db2.gz QFJPLCSOBVFTHL-DEOSSOPVSA-N 2 2 423.511 4.034 50 0 HIAALP Fc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067667 571134629 /nfs/dbraw/zinc/13/46/29/571134629.db2.gz QFJPLCSOBVFTHL-DEOSSOPVSA-N 2 2 423.511 4.034 50 0 HIAALP Fc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067667 571134632 /nfs/dbraw/zinc/13/46/32/571134632.db2.gz QFJPLCSOBVFTHL-DEOSSOPVSA-N 2 2 423.511 4.034 50 0 HIAALP Fc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccn4-c4ncccn4)C3)C2)c1F ZINC000015067667 571134633 /nfs/dbraw/zinc/13/46/33/571134633.db2.gz QFJPLCSOBVFTHL-DEOSSOPVSA-N 2 2 423.511 4.034 50 0 HIAALP Cc1c([C@@H](C)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cnn1-c1ccc(F)cc1F ZINC000011668180 558269972 /nfs/dbraw/zinc/26/99/72/558269972.db2.gz FPUZFZQRFMKRNP-MRXNPFEDSA-N 2 2 411.500 4.169 50 0 HIAALP CCn1cc[nH+]c1CN(C)C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011754209 558273086 /nfs/dbraw/zinc/27/30/86/558273086.db2.gz GLHFNZKFUABOLK-IBGZPJMESA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc[nH+]c1CN(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011754209 558273088 /nfs/dbraw/zinc/27/30/88/558273088.db2.gz GLHFNZKFUABOLK-IBGZPJMESA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc[nH+]c1CN(C)C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011754210 558273145 /nfs/dbraw/zinc/27/31/45/558273145.db2.gz GLHFNZKFUABOLK-LJQANCHMSA-N 2 2 408.512 4.308 50 0 HIAALP CCn1cc[nH+]c1CN(C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011754210 558273148 /nfs/dbraw/zinc/27/31/48/558273148.db2.gz GLHFNZKFUABOLK-LJQANCHMSA-N 2 2 408.512 4.308 50 0 HIAALP C[N@@H+](Cc1cc(=O)c2ccccc2[nH]1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012307551 558376129 /nfs/dbraw/zinc/37/61/29/558376129.db2.gz YOGVUMYLSNLYGP-HXUWFJFHSA-N 2 2 407.533 4.466 50 0 HIAALP C[N@H+](Cc1cc(=O)c2ccccc2[nH]1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012307551 558376130 /nfs/dbraw/zinc/37/61/30/558376130.db2.gz YOGVUMYLSNLYGP-HXUWFJFHSA-N 2 2 407.533 4.466 50 0 HIAALP C[NH+](Cc1cc(=O)c2ccccc2[nH]1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012307551 558376132 /nfs/dbraw/zinc/37/61/32/558376132.db2.gz YOGVUMYLSNLYGP-HXUWFJFHSA-N 2 2 407.533 4.466 50 0 HIAALP C[NH+](Cc1cc(=O)c2ccccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012307551 558376133 /nfs/dbraw/zinc/37/61/33/558376133.db2.gz YOGVUMYLSNLYGP-HXUWFJFHSA-N 2 2 407.533 4.466 50 0 HIAALP CC[N@@H+](Cc1nc2ccccc2[nH]1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012429328 558404138 /nfs/dbraw/zinc/40/41/38/558404138.db2.gz MWXMOILSPYXCIO-OAQYLSRUSA-N 2 2 406.574 4.348 50 0 HIAALP CC[N@H+](Cc1nc2ccccc2[nH]1)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012429328 558404142 /nfs/dbraw/zinc/40/41/42/558404142.db2.gz MWXMOILSPYXCIO-OAQYLSRUSA-N 2 2 406.574 4.348 50 0 HIAALP CC[NH+](Cc1nc2ccccc2[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012429328 558404145 /nfs/dbraw/zinc/40/41/45/558404145.db2.gz MWXMOILSPYXCIO-OAQYLSRUSA-N 2 2 406.574 4.348 50 0 HIAALP CC[NH+](Cc1nc2ccccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012429328 558404148 /nfs/dbraw/zinc/40/41/48/558404148.db2.gz MWXMOILSPYXCIO-OAQYLSRUSA-N 2 2 406.574 4.348 50 0 HIAALP CN(C(=O)c1cccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1)C1CCCCC1 ZINC000023159156 558539884 /nfs/dbraw/zinc/53/98/84/558539884.db2.gz XCFLTOWLROVCIX-UHFFFAOYSA-N 2 2 413.606 4.029 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950707 558681062 /nfs/dbraw/zinc/68/10/62/558681062.db2.gz RDFAZHNVPJSAGS-FQEVSTJZSA-N 2 2 413.631 4.417 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950707 558681065 /nfs/dbraw/zinc/68/10/65/558681065.db2.gz RDFAZHNVPJSAGS-FQEVSTJZSA-N 2 2 413.631 4.417 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950707 558681069 /nfs/dbraw/zinc/68/10/69/558681069.db2.gz RDFAZHNVPJSAGS-FQEVSTJZSA-N 2 2 413.631 4.417 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950707 558681072 /nfs/dbraw/zinc/68/10/72/558681072.db2.gz RDFAZHNVPJSAGS-FQEVSTJZSA-N 2 2 413.631 4.417 50 0 HIAALP COc1ccc(-c2noc(C[NH+]3CCC(c4[nH]c5ccc(F)cc5[nH+]4)CC3)n2)cc1 ZINC000019112989 558841941 /nfs/dbraw/zinc/84/19/41/558841941.db2.gz VJDONHQOLBKVKF-UHFFFAOYSA-N 2 2 407.449 4.140 50 0 HIAALP COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCN(c4cccc(C)[nH+]4)CC3)ccc2c1 ZINC000019146495 558846762 /nfs/dbraw/zinc/84/67/62/558846762.db2.gz HKFQQAUPIJMYGI-UHFFFAOYSA-N 2 2 413.525 4.264 50 0 HIAALP O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000019147242 558846817 /nfs/dbraw/zinc/84/68/17/558846817.db2.gz IRUYZCJNRVABLB-LJQANCHMSA-N 2 2 412.555 4.168 50 0 HIAALP O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000019147242 558846818 /nfs/dbraw/zinc/84/68/18/558846818.db2.gz IRUYZCJNRVABLB-LJQANCHMSA-N 2 2 412.555 4.168 50 0 HIAALP C[N@H+](C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058266317 558915733 /nfs/dbraw/zinc/91/57/33/558915733.db2.gz WCDBPWHDWTUPDL-NRFANRHFSA-N 2 2 419.491 4.203 50 0 HIAALP C[N@@H+](C[C@H](NC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000058266317 558915735 /nfs/dbraw/zinc/91/57/35/558915735.db2.gz WCDBPWHDWTUPDL-NRFANRHFSA-N 2 2 419.491 4.203 50 0 HIAALP C[C@H](C[NH+]1CCN(C[C@H](c2ccc(F)cc2)[NH+]2CCCC2)CC1)C(=O)c1ccccc1 ZINC000095903314 559088790 /nfs/dbraw/zinc/08/87/90/559088790.db2.gz BHBWNYBKKMRJJJ-PXDATVDWSA-N 2 2 423.576 4.099 50 0 HIAALP [NH2+]=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000004817101 559115214 /nfs/dbraw/zinc/11/52/14/559115214.db2.gz DMLJGAWKRFYLFK-HXUWFJFHSA-N 2 2 419.356 4.058 50 0 HIAALP CC[NH+](CC)CCC[NH2+]Cc1nn(Cc2cccc(Cl)c2)nc1-c1ccccc1 ZINC000261492025 568820453 /nfs/dbraw/zinc/82/04/53/568820453.db2.gz PVUWPMTVRKHDKF-UHFFFAOYSA-N 2 2 411.981 4.468 50 0 HIAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@@H](O)c1cccc2ccccc21 ZINC000001196848 568823005 /nfs/dbraw/zinc/82/30/05/568823005.db2.gz KBGIOFMNKUTCLO-RUZDIDTESA-N 2 2 414.553 4.295 50 0 HIAALP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C1)CCCC2 ZINC000170616699 569247608 /nfs/dbraw/zinc/24/76/08/569247608.db2.gz FBPQUYHVPWLHRL-SFHVURJKSA-N 2 2 422.554 4.370 50 0 HIAALP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C1)CCCC2 ZINC000170616699 569247609 /nfs/dbraw/zinc/24/76/09/569247609.db2.gz FBPQUYHVPWLHRL-SFHVURJKSA-N 2 2 422.554 4.370 50 0 HIAALP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011817691 845836443 /nfs/dbraw/zinc/83/64/43/845836443.db2.gz HWHDJOVPVNCBGP-JOCHJYFZSA-N 2 2 406.549 4.398 50 0 HIAALP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011817691 845836448 /nfs/dbraw/zinc/83/64/48/845836448.db2.gz HWHDJOVPVNCBGP-JOCHJYFZSA-N 2 2 406.549 4.398 50 0 HIAALP C[NH+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011817691 845836451 /nfs/dbraw/zinc/83/64/51/845836451.db2.gz HWHDJOVPVNCBGP-JOCHJYFZSA-N 2 2 406.549 4.398 50 0 HIAALP C[NH+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011817691 845836454 /nfs/dbraw/zinc/83/64/54/845836454.db2.gz HWHDJOVPVNCBGP-JOCHJYFZSA-N 2 2 406.549 4.398 50 0 HIAALP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2csc(C(C)=O)c2)C1 ZINC000020543125 524410181 /nfs/dbraw/zinc/41/01/81/524410181.db2.gz FXXKJGNKAPFMBU-IBGZPJMESA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2csc(C(C)=O)c2)C1 ZINC000020543125 524410190 /nfs/dbraw/zinc/41/01/90/524410190.db2.gz FXXKJGNKAPFMBU-IBGZPJMESA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2csc(C(C)=O)c2)C1 ZINC000020543125 524410198 /nfs/dbraw/zinc/41/01/98/524410198.db2.gz FXXKJGNKAPFMBU-IBGZPJMESA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2csc(C(C)=O)c2)C1 ZINC000020543125 524410210 /nfs/dbraw/zinc/41/02/10/524410210.db2.gz FXXKJGNKAPFMBU-IBGZPJMESA-N 2 2 400.588 4.346 50 0 HIAALP Clc1cccc(Cl)c1COc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000040719521 526979405 /nfs/dbraw/zinc/97/94/05/526979405.db2.gz XCSNLVSBGJIHPO-UHFFFAOYSA-N 2 2 409.357 4.384 50 0 HIAALP CC[N@@H+](Cc1cnc(-c2ccccc2C)nc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011817190 558280341 /nfs/dbraw/zinc/28/03/41/558280341.db2.gz IXEOVVADVVUBJY-UHFFFAOYSA-N 3 2 421.633 4.080 50 0 HIAALP CC[N@H+](Cc1cnc(-c2ccccc2C)nc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000011817190 558280346 /nfs/dbraw/zinc/28/03/46/558280346.db2.gz IXEOVVADVVUBJY-UHFFFAOYSA-N 3 2 421.633 4.080 50 0 HIAALP COc1ccc(C[NH+]2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000019889052 558302427 /nfs/dbraw/zinc/30/24/27/558302427.db2.gz WIDPDFCJYLWUFS-NHCUHLMSSA-N 2 2 424.585 4.348 50 0 HIAALP Cc1ccccc1C[N@@H+](Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000020201892 558345983 /nfs/dbraw/zinc/34/59/83/558345983.db2.gz XSPYSOUQHSMSOW-UHFFFAOYSA-N 3 2 406.618 4.198 50 0 HIAALP Cc1ccccc1C[N@H+](Cc1ccncc1)CC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000020201892 558345985 /nfs/dbraw/zinc/34/59/85/558345985.db2.gz XSPYSOUQHSMSOW-UHFFFAOYSA-N 3 2 406.618 4.198 50 0 HIAALP Clc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccccc1 ZINC000028427044 558700489 /nfs/dbraw/zinc/70/04/89/558700489.db2.gz OBNBKISAROQBOP-UHFFFAOYSA-N 2 2 409.357 4.384 50 0 HIAALP O=C(CC1CCCC1)Nc1cccc(N2CCC([NH2+]CCCn3cc[nH+]c3)CC2)c1 ZINC000055211241 558876030 /nfs/dbraw/zinc/87/60/30/558876030.db2.gz HZLBNYWMLVHGFN-UHFFFAOYSA-N 2 2 409.578 4.051 50 0 HIAALP O=C1[C@H]([NH2+]C2CC[NH+](Cc3cccc(F)c3)CC2)CCCN1c1ccccc1Cl ZINC000095968507 568670737 /nfs/dbraw/zinc/67/07/37/568670737.db2.gz IBKDXQCPXPALGQ-OAQYLSRUSA-N 2 2 415.940 4.229 50 0 HIAALP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000012541396 568848505 /nfs/dbraw/zinc/84/85/05/568848505.db2.gz FKXPWZDXOVVOAU-UHFFFAOYSA-N 2 2 413.319 4.014 50 0 HIAALP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000012541396 568848506 /nfs/dbraw/zinc/84/85/06/568848506.db2.gz FKXPWZDXOVVOAU-UHFFFAOYSA-N 2 2 413.319 4.014 50 0 HIAALP O=C(NC1CC1)C1CC[NH+](C2CC[NH+](Cc3ccc(C4CCCC4)s3)CC2)CC1 ZINC000012714796 845885331 /nfs/dbraw/zinc/88/53/31/845885331.db2.gz RUIXCQYKZMEWRQ-UHFFFAOYSA-N 2 2 415.647 4.361 50 0 HIAALP CCOc1ccc2[nH+]cc(C(=O)c3ccc(OC)cc3)c(N3CC[NH+](CC)CC3)c2c1 ZINC000004313806 535445040 /nfs/dbraw/zinc/44/50/40/535445040.db2.gz VZXSAJUGGVLVHT-UHFFFAOYSA-N 2 2 419.525 4.015 50 0 HIAALP CC(C)Cc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000011819472 558282689 /nfs/dbraw/zinc/28/26/89/558282689.db2.gz FTMNZZCUTNAZFC-DEOSSOPVSA-N 2 2 402.627 4.244 50 0 HIAALP CC(C)Cc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000011819472 558282693 /nfs/dbraw/zinc/28/26/93/558282693.db2.gz FTMNZZCUTNAZFC-DEOSSOPVSA-N 2 2 402.627 4.244 50 0 HIAALP Cc1cccc(C[NH+]2CCC([NH+]3CCC(C(=O)NCCC4=CCCCC4)CC3)CC2)n1 ZINC000011873201 558290931 /nfs/dbraw/zinc/29/09/31/558290931.db2.gz ZPEPPOLHVCHURS-UHFFFAOYSA-N 2 2 424.633 4.073 50 0 HIAALP CC[N@@H+](Cc1cnc(N(C)C)s1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011932903 558297672 /nfs/dbraw/zinc/29/76/72/558297672.db2.gz DJHBVIPASKYIJR-LJQANCHMSA-N 2 2 404.599 4.125 50 0 HIAALP CC[N@H+](Cc1cnc(N(C)C)s1)C[C@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000011932903 558297674 /nfs/dbraw/zinc/29/76/74/558297674.db2.gz DJHBVIPASKYIJR-LJQANCHMSA-N 2 2 404.599 4.125 50 0 HIAALP CC[NH+](Cc1cnc(N(C)C)s1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000011932903 558297677 /nfs/dbraw/zinc/29/76/77/558297677.db2.gz DJHBVIPASKYIJR-LJQANCHMSA-N 2 2 404.599 4.125 50 0 HIAALP CC[NH+](Cc1cnc(N(C)C)s1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011932903 558297680 /nfs/dbraw/zinc/29/76/80/558297680.db2.gz DJHBVIPASKYIJR-LJQANCHMSA-N 2 2 404.599 4.125 50 0 HIAALP COc1cccc(C(=O)[C@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000012431633 558406262 /nfs/dbraw/zinc/40/62/62/558406262.db2.gz XADLRCJPKYMMSH-QHCPKHFHSA-N 2 2 406.570 4.297 50 0 HIAALP COc1cccc(C(=O)[C@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000012431633 558406264 /nfs/dbraw/zinc/40/62/64/558406264.db2.gz XADLRCJPKYMMSH-QHCPKHFHSA-N 2 2 406.570 4.297 50 0 HIAALP CCOc1ccc2ccccc2c1C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000072289909 559077783 /nfs/dbraw/zinc/07/77/83/559077783.db2.gz OPYNDJBGSQLVEV-HXUWFJFHSA-N 2 2 403.526 4.356 50 0 HIAALP O=C(NCCC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000006819297 568459555 /nfs/dbraw/zinc/45/95/55/568459555.db2.gz NLUXAPWWWYNHTG-UHFFFAOYSA-N 2 2 413.393 4.455 50 0 HIAALP Cc1[nH+]ccn1CCCC[NH+](C)[C@H]1CCCC[C@@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000095995929 568678838 /nfs/dbraw/zinc/67/88/38/568678838.db2.gz GEIAJPVZECPGIM-ZEQRLZLVSA-N 4 2 414.642 4.132 50 0 HIAALP Cc1[nH+]ccn1CCCC[NH+](C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000095995929 568678839 /nfs/dbraw/zinc/67/88/39/568678839.db2.gz GEIAJPVZECPGIM-ZEQRLZLVSA-N 4 2 414.642 4.132 50 0 HIAALP Cc1[nH+]ccn1CCCCN(C)[C@H]1CCCC[C@@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000095995929 568678844 /nfs/dbraw/zinc/67/88/44/568678844.db2.gz GEIAJPVZECPGIM-ZEQRLZLVSA-N 3 2 414.642 4.132 50 0 HIAALP Cc1[nH+]ccn1CCCCN(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000095995929 568678846 /nfs/dbraw/zinc/67/88/46/568678846.db2.gz GEIAJPVZECPGIM-ZEQRLZLVSA-N 3 2 414.642 4.132 50 0 HIAALP [NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1C[C@H](O)c1cccc2ccccc21 ZINC000001196849 568823087 /nfs/dbraw/zinc/82/30/87/568823087.db2.gz KBGIOFMNKUTCLO-VWLOTQADSA-N 2 2 414.553 4.295 50 0 HIAALP Cc1cc2c(C)nc(N3CCC([NH2+][C@@H](Cn4cc[nH+]c4)C(C)(C)C)CC3)nc2cc1F ZINC000299768048 568873976 /nfs/dbraw/zinc/87/39/76/568873976.db2.gz FHZHQEGZIDHYKP-QFIPXVFZSA-N 2 2 424.568 4.256 50 0 HIAALP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000089960835 569270141 /nfs/dbraw/zinc/27/01/41/569270141.db2.gz ZZYPOMUWCLMTOD-BWAGFHJFSA-N 2 2 417.956 4.281 50 0 HIAALP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000089960835 569270142 /nfs/dbraw/zinc/27/01/42/569270142.db2.gz ZZYPOMUWCLMTOD-BWAGFHJFSA-N 2 2 417.956 4.281 50 0 HIAALP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000089960835 569270143 /nfs/dbraw/zinc/27/01/43/569270143.db2.gz ZZYPOMUWCLMTOD-BWAGFHJFSA-N 2 2 417.956 4.281 50 0 HIAALP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000089960835 569270144 /nfs/dbraw/zinc/27/01/44/569270144.db2.gz ZZYPOMUWCLMTOD-BWAGFHJFSA-N 2 2 417.956 4.281 50 0 HIAALP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011817690 845836164 /nfs/dbraw/zinc/83/61/64/845836164.db2.gz HWHDJOVPVNCBGP-QFIPXVFZSA-N 2 2 406.549 4.398 50 0 HIAALP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000011817690 845836171 /nfs/dbraw/zinc/83/61/71/845836171.db2.gz HWHDJOVPVNCBGP-QFIPXVFZSA-N 2 2 406.549 4.398 50 0 HIAALP C[NH+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011817690 845836172 /nfs/dbraw/zinc/83/61/72/845836172.db2.gz HWHDJOVPVNCBGP-QFIPXVFZSA-N 2 2 406.549 4.398 50 0 HIAALP C[NH+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011817690 845836173 /nfs/dbraw/zinc/83/61/73/845836173.db2.gz HWHDJOVPVNCBGP-QFIPXVFZSA-N 2 2 406.549 4.398 50 0 HIAALP OCC[NH2+]CC[NH2+]Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc21 ZINC000040720148 527554290 /nfs/dbraw/zinc/55/42/90/527554290.db2.gz HKVLXDLJBCGJOD-UHFFFAOYSA-N 2 2 419.352 4.397 50 0 HIAALP CCCCc1[nH]c(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c[nH+]1 ZINC000011664744 558268122 /nfs/dbraw/zinc/26/81/22/558268122.db2.gz DYMCDHUEPWYHCO-NRFANRHFSA-N 2 2 424.633 4.080 50 0 HIAALP CCCCc1[nH]c(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c[nH+]1 ZINC000011664744 558268125 /nfs/dbraw/zinc/26/81/25/558268125.db2.gz DYMCDHUEPWYHCO-NRFANRHFSA-N 2 2 424.633 4.080 50 0 HIAALP CCCCc1[nH]cc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000011664744 558268126 /nfs/dbraw/zinc/26/81/26/558268126.db2.gz DYMCDHUEPWYHCO-NRFANRHFSA-N 2 2 424.633 4.080 50 0 HIAALP CCCCc1[nH]cc(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH+]1 ZINC000011664744 558268129 /nfs/dbraw/zinc/26/81/29/558268129.db2.gz DYMCDHUEPWYHCO-NRFANRHFSA-N 2 2 424.633 4.080 50 0 HIAALP COc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703473 558270542 /nfs/dbraw/zinc/27/05/42/558270542.db2.gz XSPKMHIAWFOWPR-QFIPXVFZSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703473 558270546 /nfs/dbraw/zinc/27/05/46/558270546.db2.gz XSPKMHIAWFOWPR-QFIPXVFZSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703473 558270550 /nfs/dbraw/zinc/27/05/50/558270550.db2.gz XSPKMHIAWFOWPR-QFIPXVFZSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703473 558270554 /nfs/dbraw/zinc/27/05/54/558270554.db2.gz XSPKMHIAWFOWPR-QFIPXVFZSA-N 2 2 418.585 4.267 50 0 HIAALP Cc1c([C@H](C)[NH2+]C2CC[NH+](Cc3cccnc3)CC2)cnn1-c1ccc(F)cc1F ZINC000011821381 558284508 /nfs/dbraw/zinc/28/45/08/558284508.db2.gz WBSNAPFTWCMSEO-INIZCTEOSA-N 2 2 411.500 4.169 50 0 HIAALP CCCCc1[nH]c(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)c[nH+]1 ZINC000020138448 558338236 /nfs/dbraw/zinc/33/82/36/558338236.db2.gz GJBIYNRDQTUSEQ-QFIPXVFZSA-N 2 2 416.013 4.192 50 0 HIAALP CCCCc1[nH]cc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)[nH+]1 ZINC000020138448 558338238 /nfs/dbraw/zinc/33/82/38/558338238.db2.gz GJBIYNRDQTUSEQ-QFIPXVFZSA-N 2 2 416.013 4.192 50 0 HIAALP CCOc1ccc2ccccc2c1C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000072289908 558724333 /nfs/dbraw/zinc/72/43/33/558724333.db2.gz OPYNDJBGSQLVEV-FQEVSTJZSA-N 2 2 403.526 4.356 50 0 HIAALP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000058022993 558896107 /nfs/dbraw/zinc/89/61/07/558896107.db2.gz JDLKDDRRVXMPOW-QFIPXVFZSA-N 2 2 406.530 4.105 50 0 HIAALP CN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000095446445 568612088 /nfs/dbraw/zinc/61/20/88/568612088.db2.gz ZRAOIVLDVHSHPI-UXHICEINSA-N 2 2 410.965 4.280 50 0 HIAALP CN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000095446445 568612089 /nfs/dbraw/zinc/61/20/89/568612089.db2.gz ZRAOIVLDVHSHPI-UXHICEINSA-N 2 2 410.965 4.280 50 0 HIAALP OC1(c2cccc(Cl)c2)CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000096009161 568683466 /nfs/dbraw/zinc/68/34/66/568683466.db2.gz GDFRYXDTOPBUPP-UHFFFAOYSA-N 2 2 414.977 4.092 50 0 HIAALP CC(C)(C)c1ccc(S(=O)(=O)CC[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cc1 ZINC000096008649 568683488 /nfs/dbraw/zinc/68/34/88/568683488.db2.gz YLXBMHXGIJFWGV-UHFFFAOYSA-N 2 2 417.619 4.147 50 0 HIAALP Clc1cccc(Cn2nc(C[NH2+]CCCn3cc[nH+]c3)c(-c3ccccc3)n2)c1 ZINC000261491667 568820128 /nfs/dbraw/zinc/82/01/28/568820128.db2.gz BTBUZEUHOVCZJD-UHFFFAOYSA-N 2 2 406.921 4.023 50 0 HIAALP Fc1cccc(Cl)c1Cn1nc(C[NH2+]CCCn2cc[nH+]c2)c(-c2ccccc2)n1 ZINC000261491968 568820176 /nfs/dbraw/zinc/82/01/76/568820176.db2.gz NBWHSVRZPFSJTP-UHFFFAOYSA-N 2 2 424.911 4.162 50 0 HIAALP C[C@H](c1ccc(F)cc1)[NH+](C)CCS(=O)(=O)CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000065209172 569195288 /nfs/dbraw/zinc/19/52/88/569195288.db2.gz LFNIWHVUJMGAHI-QZTJIDSGSA-N 2 2 424.557 4.065 50 0 HIAALP C[C@H](c1ccc(F)cc1)[NH+](C)CCS(=O)(=O)CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000065209172 569195289 /nfs/dbraw/zinc/19/52/89/569195289.db2.gz LFNIWHVUJMGAHI-QZTJIDSGSA-N 2 2 424.557 4.065 50 0 HIAALP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478025 569288664 /nfs/dbraw/zinc/28/86/64/569288664.db2.gz ZZYPOMUWCLMTOD-QIJUGHKUSA-N 2 2 417.956 4.281 50 0 HIAALP CC[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478025 569288668 /nfs/dbraw/zinc/28/86/68/569288668.db2.gz ZZYPOMUWCLMTOD-QIJUGHKUSA-N 2 2 417.956 4.281 50 0 HIAALP CC[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478025 569288670 /nfs/dbraw/zinc/28/86/70/569288670.db2.gz ZZYPOMUWCLMTOD-QIJUGHKUSA-N 2 2 417.956 4.281 50 0 HIAALP CCOc1ccccc1C[N@H+](CCOC)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818245 558281594 /nfs/dbraw/zinc/28/15/94/558281594.db2.gz QKLGVGQILWWWGL-JOCHJYFZSA-N 2 2 422.613 4.413 50 0 HIAALP CCOc1ccccc1C[N@@H+](CCOC)C[C@H]1CCC[NH+](C2Cc3ccccc3C2)C1 ZINC000011818245 558281595 /nfs/dbraw/zinc/28/15/95/558281595.db2.gz QKLGVGQILWWWGL-JOCHJYFZSA-N 2 2 422.613 4.413 50 0 HIAALP CCOc1ccccc1C[NH+](CCOC)C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011818245 558281596 /nfs/dbraw/zinc/28/15/96/558281596.db2.gz QKLGVGQILWWWGL-JOCHJYFZSA-N 2 2 422.613 4.413 50 0 HIAALP CCOc1ccccc1C[NH+](CCOC)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818245 558281597 /nfs/dbraw/zinc/28/15/97/558281597.db2.gz QKLGVGQILWWWGL-JOCHJYFZSA-N 2 2 422.613 4.413 50 0 HIAALP FC(F)(F)c1cccc(Cc2noc(C[N@@H+]3CCCC[C@H]3CCn3cc[nH+]c3)n2)c1 ZINC000020449939 558365156 /nfs/dbraw/zinc/36/51/56/558365156.db2.gz XAOXPBRLOLMKSU-SFHVURJKSA-N 2 2 419.451 4.321 50 0 HIAALP FC(F)(F)c1cccc(Cc2noc(C[N@H+]3CCCC[C@H]3CCn3cc[nH+]c3)n2)c1 ZINC000020449939 558365158 /nfs/dbraw/zinc/36/51/58/558365158.db2.gz XAOXPBRLOLMKSU-SFHVURJKSA-N 2 2 419.451 4.321 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835407 558478137 /nfs/dbraw/zinc/47/81/37/558478137.db2.gz HOYLVKNZWUGEJS-HXUWFJFHSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835407 558478140 /nfs/dbraw/zinc/47/81/40/558478140.db2.gz HOYLVKNZWUGEJS-HXUWFJFHSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835407 558478143 /nfs/dbraw/zinc/47/81/43/558478143.db2.gz HOYLVKNZWUGEJS-HXUWFJFHSA-N 2 2 400.588 4.346 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835407 558478145 /nfs/dbraw/zinc/47/81/45/558478145.db2.gz HOYLVKNZWUGEJS-HXUWFJFHSA-N 2 2 400.588 4.346 50 0 HIAALP Cc1c[nH]c(CNC(=O)c2cc(Cl)ccc2OC2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000023310702 558548648 /nfs/dbraw/zinc/54/86/48/558548648.db2.gz IOARUSYZIIGJDI-UHFFFAOYSA-N 2 2 416.953 4.087 50 0 HIAALP CCn1cc[nH+]c1CSc1nc2ccccc2c(=O)n1CC[NH+](C(C)C)C(C)C ZINC000058245890 558914677 /nfs/dbraw/zinc/91/46/77/558914677.db2.gz ISOOIXAHUUEFIX-UHFFFAOYSA-N 2 2 413.591 4.024 50 0 HIAALP C[N@H+](Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000048324590 568438458 /nfs/dbraw/zinc/43/84/58/568438458.db2.gz BMJLKTSMWNUUPA-UHFFFAOYSA-N 2 2 421.589 4.196 50 0 HIAALP C[N@@H+](Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccncc2)CC1)C1CCCCC1 ZINC000048324590 568438459 /nfs/dbraw/zinc/43/84/59/568438459.db2.gz BMJLKTSMWNUUPA-UHFFFAOYSA-N 2 2 421.589 4.196 50 0 HIAALP Cc1[nH+]ccn1CCCC[NH+](C)[C@@H]1CCCC[C@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000252511382 569291788 /nfs/dbraw/zinc/29/17/88/569291788.db2.gz GEIAJPVZECPGIM-DNQXCXABSA-N 4 2 414.642 4.132 50 0 HIAALP Cc1[nH+]ccn1CCCC[NH+](C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000252511382 569291790 /nfs/dbraw/zinc/29/17/90/569291790.db2.gz GEIAJPVZECPGIM-DNQXCXABSA-N 4 2 414.642 4.132 50 0 HIAALP Cc1[nH+]ccn1CCCCN(C)[C@@H]1CCCC[C@H]1[N@H+](C)CCCCn1cc[nH+]c1C ZINC000252511382 569291794 /nfs/dbraw/zinc/29/17/94/569291794.db2.gz GEIAJPVZECPGIM-DNQXCXABSA-N 3 2 414.642 4.132 50 0 HIAALP Cc1[nH+]ccn1CCCCN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000252511382 569291795 /nfs/dbraw/zinc/29/17/95/569291795.db2.gz GEIAJPVZECPGIM-DNQXCXABSA-N 3 2 414.642 4.132 50 0 HIAALP COc1cccc(N2CC[NH+](C3CC[NH+](Cc4cc5ccccc5o4)CC3)CC2)c1 ZINC000244933203 571210461 /nfs/dbraw/zinc/21/04/61/571210461.db2.gz CHDNJZIQNCELLU-UHFFFAOYSA-N 2 2 405.542 4.228 50 0 HIAALP Cc1cc2nc(N3CCC([NH2+][C@H](Cn4cc[nH+]c4)C(C)(C)C)CC3)nc(C)c2cc1C ZINC000014995458 845998067 /nfs/dbraw/zinc/99/80/67/845998067.db2.gz XIZPOCQVVLZTAK-HSZRJFAPSA-N 2 2 420.605 4.425 50 0 HIAALP c1cn2c(n1)[C@H](C1CC[NH+](Cc3cccnc3)CC1)[N@H+](CCc1ccccc1)CCC2 ZINC000257193360 854235097 /nfs/dbraw/zinc/23/50/97/854235097.db2.gz YDKNAJPPOXWEEM-VWLOTQADSA-N 2 2 415.585 4.180 50 0 HIAALP c1cn2c(n1)[C@H](C1CC[NH+](Cc3cccnc3)CC1)[N@@H+](CCc1ccccc1)CCC2 ZINC000257193360 854235101 /nfs/dbraw/zinc/23/51/01/854235101.db2.gz YDKNAJPPOXWEEM-VWLOTQADSA-N 2 2 415.585 4.180 50 0 HIAALP CCc1ccc(C(=O)c2c[nH+]c3ccc(OC)cc3c2N2CC[NH+](CC)CC2)cc1 ZINC000006006647 132308881 /nfs/dbraw/zinc/30/88/81/132308881.db2.gz MTFUOYZHOWFULN-UHFFFAOYSA-N 2 2 403.526 4.179 50 0 HIAALP COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCC([NH+]4CCSCC4)CC3)ccc2c1 ZINC000011663390 558266972 /nfs/dbraw/zinc/26/69/72/558266972.db2.gz XQAPQLPCHGJMOO-UHFFFAOYSA-N 2 2 422.598 4.252 50 0 HIAALP CC[N@@H+](Cc1nc2ccccc2n1C)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000020109611 558334789 /nfs/dbraw/zinc/33/47/89/558334789.db2.gz MOPGLZPKCNHXAF-QFIPXVFZSA-N 2 2 420.601 4.359 50 0 HIAALP CC[N@H+](Cc1nc2ccccc2n1C)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000020109611 558334794 /nfs/dbraw/zinc/33/47/94/558334794.db2.gz MOPGLZPKCNHXAF-QFIPXVFZSA-N 2 2 420.601 4.359 50 0 HIAALP CC[NH+](Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000020109611 558334797 /nfs/dbraw/zinc/33/47/97/558334797.db2.gz MOPGLZPKCNHXAF-QFIPXVFZSA-N 2 2 420.601 4.359 50 0 HIAALP CC[NH+](Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000020109611 558334800 /nfs/dbraw/zinc/33/48/00/558334800.db2.gz MOPGLZPKCNHXAF-QFIPXVFZSA-N 2 2 420.601 4.359 50 0 HIAALP CC[N@@H+](Cc1nc2ccccc2n1C)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020211460 558347506 /nfs/dbraw/zinc/34/75/06/558347506.db2.gz XENOWXUDZOEDRO-NRFANRHFSA-N 2 2 408.565 4.489 50 0 HIAALP CC[N@H+](Cc1nc2ccccc2n1C)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000020211460 558347507 /nfs/dbraw/zinc/34/75/07/558347507.db2.gz XENOWXUDZOEDRO-NRFANRHFSA-N 2 2 408.565 4.489 50 0 HIAALP CC[NH+](Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000020211460 558347508 /nfs/dbraw/zinc/34/75/08/558347508.db2.gz XENOWXUDZOEDRO-NRFANRHFSA-N 2 2 408.565 4.489 50 0 HIAALP CC[NH+](Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020211460 558347509 /nfs/dbraw/zinc/34/75/09/558347509.db2.gz XENOWXUDZOEDRO-NRFANRHFSA-N 2 2 408.565 4.489 50 0 HIAALP CC[N@@H+](Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012429327 558404254 /nfs/dbraw/zinc/40/42/54/558404254.db2.gz MWXMOILSPYXCIO-NRFANRHFSA-N 2 2 406.574 4.348 50 0 HIAALP CC[N@H+](Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000012429327 558404258 /nfs/dbraw/zinc/40/42/58/558404258.db2.gz MWXMOILSPYXCIO-NRFANRHFSA-N 2 2 406.574 4.348 50 0 HIAALP CC[NH+](Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000012429327 558404261 /nfs/dbraw/zinc/40/42/61/558404261.db2.gz MWXMOILSPYXCIO-NRFANRHFSA-N 2 2 406.574 4.348 50 0 HIAALP CC[NH+](Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012429327 558404264 /nfs/dbraw/zinc/40/42/64/558404264.db2.gz MWXMOILSPYXCIO-NRFANRHFSA-N 2 2 406.574 4.348 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+](C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710551 558452169 /nfs/dbraw/zinc/45/21/69/558452169.db2.gz WGHOSQXTGHOJQQ-NRFANRHFSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+](C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710551 558452173 /nfs/dbraw/zinc/45/21/73/558452173.db2.gz WGHOSQXTGHOJQQ-NRFANRHFSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@H+](C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710551 558452176 /nfs/dbraw/zinc/45/21/76/558452176.db2.gz WGHOSQXTGHOJQQ-NRFANRHFSA-N 2 2 412.574 4.099 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+](C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710551 558452179 /nfs/dbraw/zinc/45/21/79/558452179.db2.gz WGHOSQXTGHOJQQ-NRFANRHFSA-N 2 2 412.574 4.099 50 0 HIAALP O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000019147245 558846859 /nfs/dbraw/zinc/84/68/59/558846859.db2.gz IRUYZCJNRVABLB-IBGZPJMESA-N 2 2 412.555 4.168 50 0 HIAALP O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCCC3)cs2)C1 ZINC000019147245 558846861 /nfs/dbraw/zinc/84/68/61/558846861.db2.gz IRUYZCJNRVABLB-IBGZPJMESA-N 2 2 412.555 4.168 50 0 HIAALP C[N@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000055168421 558874989 /nfs/dbraw/zinc/87/49/89/558874989.db2.gz INURIVGLZHAHSP-UHFFFAOYSA-N 3 2 424.608 4.072 50 0 HIAALP C[N@@H+](CC1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000055168421 558874991 /nfs/dbraw/zinc/87/49/91/558874991.db2.gz INURIVGLZHAHSP-UHFFFAOYSA-N 3 2 424.608 4.072 50 0 HIAALP [NH2+]=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000004817100 559115240 /nfs/dbraw/zinc/11/52/40/559115240.db2.gz DMLJGAWKRFYLFK-FQEVSTJZSA-N 2 2 419.356 4.058 50 0 HIAALP Cc1ccc(Cl)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000095446460 568612028 /nfs/dbraw/zinc/61/20/28/568612028.db2.gz UGZJUICQOFVDAB-RTWAWAEBSA-N 2 2 407.002 4.449 50 0 HIAALP Cc1ccc(Cl)cc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000095446460 568612030 /nfs/dbraw/zinc/61/20/30/568612030.db2.gz UGZJUICQOFVDAB-RTWAWAEBSA-N 2 2 407.002 4.449 50 0 HIAALP COc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)n2)ccc1C ZINC000095462680 568621742 /nfs/dbraw/zinc/62/17/42/568621742.db2.gz FJFPICVKRZYQGR-MRXNPFEDSA-N 2 2 403.486 4.399 50 0 HIAALP N=C1N(CC[NH+]2CCCC2)c2ccccc2[N@@H+]1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000858798 568713367 /nfs/dbraw/zinc/71/33/67/568713367.db2.gz UOHZNIMAYVBTQV-UHFFFAOYSA-N 2 2 417.340 4.208 50 0 HIAALP N=C1N(CC[NH+]2CCCC2)c2ccccc2[N@H+]1CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000000858798 568713368 /nfs/dbraw/zinc/71/33/68/568713368.db2.gz UOHZNIMAYVBTQV-UHFFFAOYSA-N 2 2 417.340 4.208 50 0 HIAALP CC[N@@H+](Cc1cnc(SC)nc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000055199195 849985957 /nfs/dbraw/zinc/98/59/57/849985957.db2.gz UVPAGHIBXDSTGC-IBGZPJMESA-N 2 2 402.583 4.114 50 0 HIAALP CC[N@H+](Cc1cnc(SC)nc1)C[C@@H]1CCC[NH+](CCc2cccc(F)c2)C1 ZINC000055199195 849985962 /nfs/dbraw/zinc/98/59/62/849985962.db2.gz UVPAGHIBXDSTGC-IBGZPJMESA-N 2 2 402.583 4.114 50 0 HIAALP CC[NH+](Cc1cnc(SC)nc1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000055199195 849985968 /nfs/dbraw/zinc/98/59/68/849985968.db2.gz UVPAGHIBXDSTGC-IBGZPJMESA-N 2 2 402.583 4.114 50 0 HIAALP CC[NH+](Cc1cnc(SC)nc1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000055199195 849985972 /nfs/dbraw/zinc/98/59/72/849985972.db2.gz UVPAGHIBXDSTGC-IBGZPJMESA-N 2 2 402.583 4.114 50 0 HIAALP Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cc1C ZINC000012298195 132358178 /nfs/dbraw/zinc/35/81/78/132358178.db2.gz LYTVLXQXRIKCPF-HSZRJFAPSA-N 2 2 420.601 4.039 50 0 HIAALP Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)cc1C ZINC000012298195 132358179 /nfs/dbraw/zinc/35/81/79/132358179.db2.gz LYTVLXQXRIKCPF-HSZRJFAPSA-N 2 2 420.601 4.039 50 0 HIAALP COc1ccc([C@@H](C[NH2+]Cc2ccc(OC)c(Br)c2)[NH+]2CCCC2)cc1 ZINC000025357956 525186807 /nfs/dbraw/zinc/18/68/07/525186807.db2.gz OJNFZHHASJBBPG-HXUWFJFHSA-N 2 2 419.363 4.393 50 0 HIAALP CCc1ccc(C[N@@H+](Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000011821978 558285150 /nfs/dbraw/zinc/28/51/50/558285150.db2.gz NIPWLPPSJSNAHO-UHFFFAOYSA-N 3 2 420.645 4.452 50 0 HIAALP CCc1ccc(C[N@H+](Cc2ccncc2)CC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000011821978 558285153 /nfs/dbraw/zinc/28/51/53/558285153.db2.gz NIPWLPPSJSNAHO-UHFFFAOYSA-N 3 2 420.645 4.452 50 0 HIAALP C[N@@H+](Cc1cc(=O)c2ccccc2[nH]1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012307550 558376237 /nfs/dbraw/zinc/37/62/37/558376237.db2.gz YOGVUMYLSNLYGP-FQEVSTJZSA-N 2 2 407.533 4.466 50 0 HIAALP C[N@H+](Cc1cc(=O)c2ccccc2[nH]1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1 ZINC000012307550 558376240 /nfs/dbraw/zinc/37/62/40/558376240.db2.gz YOGVUMYLSNLYGP-FQEVSTJZSA-N 2 2 407.533 4.466 50 0 HIAALP C[NH+](Cc1cc(=O)c2ccccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012307550 558376243 /nfs/dbraw/zinc/37/62/43/558376243.db2.gz YOGVUMYLSNLYGP-FQEVSTJZSA-N 2 2 407.533 4.466 50 0 HIAALP C[NH+](Cc1cc(=O)c2ccccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012307550 558376245 /nfs/dbraw/zinc/37/62/45/558376245.db2.gz YOGVUMYLSNLYGP-FQEVSTJZSA-N 2 2 407.533 4.466 50 0 HIAALP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000021702684 558445954 /nfs/dbraw/zinc/44/59/54/558445954.db2.gz HYWBGLHMOCPVLO-VQTJNVASSA-N 2 2 409.574 4.149 50 0 HIAALP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000015590088 558745368 /nfs/dbraw/zinc/74/53/68/558745368.db2.gz BIEPNGHBWYBORL-HXUWFJFHSA-N 2 2 417.557 4.419 50 0 HIAALP C[N@H+](C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421074 569061576 /nfs/dbraw/zinc/06/15/76/569061576.db2.gz WGRQJPWMBBJKPT-AREMUKBSSA-N 2 2 415.581 4.266 50 0 HIAALP C[N@@H+](C[C@@H](NC(=O)Cc1ccc2ccccc2c1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421074 569061577 /nfs/dbraw/zinc/06/15/77/569061577.db2.gz WGRQJPWMBBJKPT-AREMUKBSSA-N 2 2 415.581 4.266 50 0 HIAALP O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012431040 569401261 /nfs/dbraw/zinc/40/12/61/569401261.db2.gz OBXAQYFZXPBRKV-JOCHJYFZSA-N 2 2 420.553 4.017 50 0 HIAALP O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012431040 569401263 /nfs/dbraw/zinc/40/12/63/569401263.db2.gz OBXAQYFZXPBRKV-JOCHJYFZSA-N 2 2 420.553 4.017 50 0 HIAALP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+](C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338626 846686895 /nfs/dbraw/zinc/68/68/95/846686895.db2.gz SVPXEQJNYSYJGU-HSZRJFAPSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+](C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338626 846686905 /nfs/dbraw/zinc/68/69/05/846686905.db2.gz SVPXEQJNYSYJGU-HSZRJFAPSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@H+](C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338626 846686910 /nfs/dbraw/zinc/68/69/10/846686910.db2.gz SVPXEQJNYSYJGU-HSZRJFAPSA-N 2 2 418.585 4.267 50 0 HIAALP COc1ccc(CC[NH+]2CCC[C@H](C[N@@H+](C)Cc3cnn(-c4ccccc4)c3)C2)cc1 ZINC000023338626 846686916 /nfs/dbraw/zinc/68/69/16/846686916.db2.gz SVPXEQJNYSYJGU-HSZRJFAPSA-N 2 2 418.585 4.267 50 0 HIAALP COCC[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(Cl)c(F)c1)Cc1ccccc1O2 ZINC000257183095 854234170 /nfs/dbraw/zinc/23/41/70/854234170.db2.gz HEFVHDZXRNXEOK-UHFFFAOYSA-N 2 2 418.940 4.355 50 0 HIAALP COCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(Cl)c(F)c1)Cc1ccccc1O2 ZINC000257183095 854234177 /nfs/dbraw/zinc/23/41/77/854234177.db2.gz HEFVHDZXRNXEOK-UHFFFAOYSA-N 2 2 418.940 4.355 50 0 HIAALP CC[N@@H+](Cc1nc2ccccc2n1C)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000020109612 558334741 /nfs/dbraw/zinc/33/47/41/558334741.db2.gz MOPGLZPKCNHXAF-JOCHJYFZSA-N 2 2 420.601 4.359 50 0 HIAALP CC[N@H+](Cc1nc2ccccc2n1C)C[C@H]1CCC[NH+](CCc2cccc(OC)c2)C1 ZINC000020109612 558334744 /nfs/dbraw/zinc/33/47/44/558334744.db2.gz MOPGLZPKCNHXAF-JOCHJYFZSA-N 2 2 420.601 4.359 50 0 HIAALP CC[NH+](Cc1nc2ccccc2n1C)C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1 ZINC000020109612 558334746 /nfs/dbraw/zinc/33/47/46/558334746.db2.gz MOPGLZPKCNHXAF-JOCHJYFZSA-N 2 2 420.601 4.359 50 0 HIAALP CC[NH+](Cc1nc2ccccc2n1C)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000020109612 558334749 /nfs/dbraw/zinc/33/47/49/558334749.db2.gz MOPGLZPKCNHXAF-JOCHJYFZSA-N 2 2 420.601 4.359 50 0 HIAALP Cc1ccccc1-c1cccc(C[NH+]2CC[C@@H]([N@H+](C)CCc3ccccn3)[C@H](O)C2)c1 ZINC000020136558 558337727 /nfs/dbraw/zinc/33/77/27/558337727.db2.gz ZZTRFSYIESYOPR-KAYWLYCHSA-N 2 2 415.581 4.167 50 0 HIAALP Cc1ccccc1-c1cccc(C[NH+]2CC[C@@H]([N@@H+](C)CCc3ccccn3)[C@H](O)C2)c1 ZINC000020136558 558337729 /nfs/dbraw/zinc/33/77/29/558337729.db2.gz ZZTRFSYIESYOPR-KAYWLYCHSA-N 2 2 415.581 4.167 50 0 HIAALP Cc1ccccc1-c1cccc(C[N@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)c1 ZINC000020136558 558337731 /nfs/dbraw/zinc/33/77/31/558337731.db2.gz ZZTRFSYIESYOPR-KAYWLYCHSA-N 2 2 415.581 4.167 50 0 HIAALP Cc1ccccc1-c1cccc(C[N@@H+]2CC[C@@H]([NH+](C)CCc3ccccn3)[C@H](O)C2)c1 ZINC000020136558 558337733 /nfs/dbraw/zinc/33/77/33/558337733.db2.gz ZZTRFSYIESYOPR-KAYWLYCHSA-N 2 2 415.581 4.167 50 0 HIAALP Clc1ccc(COc2ccc(C[NH2+]CCC[NH+]3CCOCC3)cc2)c(Cl)c1 ZINC000022074030 558462269 /nfs/dbraw/zinc/46/22/69/558462269.db2.gz ZXWFUGMKJKZVIQ-UHFFFAOYSA-N 2 2 409.357 4.384 50 0 HIAALP C[C@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000097165685 558998561 /nfs/dbraw/zinc/99/85/61/558998561.db2.gz AAFXHRCQFMFBQR-KRWDZBQOSA-N 2 2 423.536 4.257 50 0 HIAALP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478024 559277275 /nfs/dbraw/zinc/27/72/75/559277275.db2.gz ZZYPOMUWCLMTOD-NYVOZVTQSA-N 2 2 417.956 4.281 50 0 HIAALP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478024 559277278 /nfs/dbraw/zinc/27/72/78/559277278.db2.gz ZZYPOMUWCLMTOD-NYVOZVTQSA-N 2 2 417.956 4.281 50 0 HIAALP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478024 559277282 /nfs/dbraw/zinc/27/72/82/559277282.db2.gz ZZYPOMUWCLMTOD-NYVOZVTQSA-N 2 2 417.956 4.281 50 0 HIAALP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478023 569288706 /nfs/dbraw/zinc/28/87/06/569288706.db2.gz ZZYPOMUWCLMTOD-COPCDDAFSA-N 2 2 417.956 4.281 50 0 HIAALP CC[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478023 569288709 /nfs/dbraw/zinc/28/87/09/569288709.db2.gz ZZYPOMUWCLMTOD-COPCDDAFSA-N 2 2 417.956 4.281 50 0 HIAALP CC[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000252478023 569288711 /nfs/dbraw/zinc/28/87/11/569288711.db2.gz ZZYPOMUWCLMTOD-COPCDDAFSA-N 2 2 417.956 4.281 50 0 HIAALP COc1ccccc1N1CC[NH+](C2CC[NH+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000252483094 569289208 /nfs/dbraw/zinc/28/92/08/569289208.db2.gz DUWJDKNQIFBGSR-UHFFFAOYSA-N 2 2 405.542 4.228 50 0 HIAALP COc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183144 849984484 /nfs/dbraw/zinc/98/44/84/849984484.db2.gz NTYQWRIBWUEJMS-FQEVSTJZSA-N 2 2 400.485 4.334 50 0 HIAALP COc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183144 849984493 /nfs/dbraw/zinc/98/44/93/849984493.db2.gz NTYQWRIBWUEJMS-FQEVSTJZSA-N 2 2 400.485 4.334 50 0 HIAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183144 849984506 /nfs/dbraw/zinc/98/45/06/849984506.db2.gz NTYQWRIBWUEJMS-FQEVSTJZSA-N 2 2 400.485 4.334 50 0 HIAALP COc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183144 849984517 /nfs/dbraw/zinc/98/45/17/849984517.db2.gz NTYQWRIBWUEJMS-FQEVSTJZSA-N 2 2 400.485 4.334 50 0 HIAALP Cc1nnc([C@H]2CC3(C[N@@H+]2Cc2cccnc2)CC[NH+](CCc2ccccc2)CC3)o1 ZINC000257188593 854233717 /nfs/dbraw/zinc/23/37/17/854233717.db2.gz FUJXZBUKFVFSSS-HSZRJFAPSA-N 2 2 417.557 4.045 50 0 HIAALP Cc1nnc([C@H]2CC3(C[N@H+]2Cc2cccnc2)CC[NH+](CCc2ccccc2)CC3)o1 ZINC000257188593 854233726 /nfs/dbraw/zinc/23/37/26/854233726.db2.gz FUJXZBUKFVFSSS-HSZRJFAPSA-N 2 2 417.557 4.045 50 0 HIAALP COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccccc1C ZINC000040720578 522447286 /nfs/dbraw/zinc/44/72/86/522447286.db2.gz SLMGTMGPESKPPV-UHFFFAOYSA-N 2 2 418.965 4.048 50 0 HIAALP CCCCc1[nH]c(C[NH+]2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)c[nH+]1 ZINC000011820262 558283708 /nfs/dbraw/zinc/28/37/08/558283708.db2.gz VSJUAFBJEKRLFF-UHFFFAOYSA-N 2 2 400.542 4.200 50 0 HIAALP Cn1c2c(c3c1CC[N@@H+](C)[C@H]3c1ccccc1F)[C@H](c1ccccc1F)[NH+](C)CC2 ZINC000020029585 558323523 /nfs/dbraw/zinc/32/35/23/558323523.db2.gz OPDVBRFXDTXMET-DQEYMECFSA-N 2 2 407.508 4.458 50 0 HIAALP Cn1c2c(c3c1CC[N@H+](C)[C@H]3c1ccccc1F)[C@H](c1ccccc1F)[NH+](C)CC2 ZINC000020029585 558323525 /nfs/dbraw/zinc/32/35/25/558323525.db2.gz OPDVBRFXDTXMET-DQEYMECFSA-N 2 2 407.508 4.458 50 0 HIAALP COc1cccc(C(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000012431632 558406247 /nfs/dbraw/zinc/40/62/47/558406247.db2.gz XADLRCJPKYMMSH-HSZRJFAPSA-N 2 2 406.570 4.297 50 0 HIAALP COc1cccc(C(=O)[C@@H]2CCC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000012431632 558406249 /nfs/dbraw/zinc/40/62/49/558406249.db2.gz XADLRCJPKYMMSH-HSZRJFAPSA-N 2 2 406.570 4.297 50 0 HIAALP CN(CC1CC[NH+](CCc2cccc(F)c2)CC1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000012439624 558411008 /nfs/dbraw/zinc/41/10/08/558411008.db2.gz OBJGSAJOZZMMJY-UHFFFAOYSA-N 2 2 420.532 4.038 50 0 HIAALP CCCN1CCc2[nH+]c[nH]c2C12CC[NH+](Cc1ccc([C@@H]3CCCO3)s1)CC2 ZINC000096138603 559095597 /nfs/dbraw/zinc/09/55/97/559095597.db2.gz HYRBCSJNZZGKJW-IBGZPJMESA-N 2 2 400.592 4.082 50 0 HIAALP CC[NH+](CC)Cc1nc(C2([NH2+]Cc3ccc(OC(F)(F)F)cc3)CCCC2)no1 ZINC000078823063 569420853 /nfs/dbraw/zinc/42/08/53/569420853.db2.gz PXMPLMDYALAFHX-UHFFFAOYSA-N 2 2 412.456 4.369 50 0 HIAALP CC[NH+]1CCC([N@@H+]2CC[C@@H](Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)C2)CC1 ZINC000575314473 948642733 /nfs/dbraw/zinc/64/27/33/948642733.db2.gz XMJADYVTMMBISC-HSZRJFAPSA-N 2 2 418.541 4.341 50 0 HIAALP CC[NH+]1CCC([N@H+]2CC[C@@H](Oc3ccc(-c4noc(-c5ccccc5)n4)cc3)C2)CC1 ZINC000575314473 948642742 /nfs/dbraw/zinc/64/27/42/948642742.db2.gz XMJADYVTMMBISC-HSZRJFAPSA-N 2 2 418.541 4.341 50 0 HIAALP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000012438654 132360094 /nfs/dbraw/zinc/36/00/94/132360094.db2.gz SCZLHKYQXYGNIK-QHCPKHFHSA-N 2 2 420.601 4.039 50 0 HIAALP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)c1 ZINC000012438654 132360095 /nfs/dbraw/zinc/36/00/95/132360095.db2.gz SCZLHKYQXYGNIK-QHCPKHFHSA-N 2 2 420.601 4.039 50 0 HIAALP COc1cc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCC(C)CC2)cc2c1OCCO2 ZINC000025361793 522459893 /nfs/dbraw/zinc/45/98/93/522459893.db2.gz FTOZAZFPDIGTIZ-SFHVURJKSA-N 2 2 402.560 4.091 50 0 HIAALP COc1ccc([C@H](C[NH2+]Cc2ccc(OC)c(Br)c2)[NH+]2CCCC2)cc1 ZINC000025357961 525361883 /nfs/dbraw/zinc/36/18/83/525361883.db2.gz OJNFZHHASJBBPG-FQEVSTJZSA-N 2 2 419.363 4.393 50 0 HIAALP O=C1CC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1Cl ZINC000019732826 558260123 /nfs/dbraw/zinc/26/01/23/558260123.db2.gz SUORGCSXQYQWOL-UHFFFAOYSA-N 2 2 411.977 4.039 50 0 HIAALP O=C1CC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)CCN1Cc1ccccc1Cl ZINC000019732826 558260126 /nfs/dbraw/zinc/26/01/26/558260126.db2.gz SUORGCSXQYQWOL-UHFFFAOYSA-N 2 2 411.977 4.039 50 0 HIAALP C[C@@H](c1ccc(F)cc1)[NH+](C)CCS(=O)(=O)CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000058004601 558894202 /nfs/dbraw/zinc/89/42/02/558894202.db2.gz LFNIWHVUJMGAHI-ROUUACIJSA-N 2 2 424.557 4.065 50 0 HIAALP C[C@@H](c1ccc(F)cc1)[NH+](C)CCS(=O)(=O)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000058004601 558894203 /nfs/dbraw/zinc/89/42/03/558894203.db2.gz LFNIWHVUJMGAHI-ROUUACIJSA-N 2 2 424.557 4.065 50 0 HIAALP Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000095446459 568611929 /nfs/dbraw/zinc/61/19/29/568611929.db2.gz UGZJUICQOFVDAB-NHCUHLMSSA-N 2 2 407.002 4.449 50 0 HIAALP Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000095446459 568611932 /nfs/dbraw/zinc/61/19/32/568611932.db2.gz UGZJUICQOFVDAB-NHCUHLMSSA-N 2 2 407.002 4.449 50 0 HIAALP Cc1ccc(Cl)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000095446458 568612042 /nfs/dbraw/zinc/61/20/42/568612042.db2.gz UGZJUICQOFVDAB-SFTDATJTSA-N 2 2 407.002 4.449 50 0 HIAALP Cc1ccc(Cl)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000095446458 568612043 /nfs/dbraw/zinc/61/20/43/568612043.db2.gz UGZJUICQOFVDAB-SFTDATJTSA-N 2 2 407.002 4.449 50 0 HIAALP CC(C)CC(=O)N(CC[NH+](C)C)Cc1[nH+]ccn1Cc1ccc(Cl)cc1Cl ZINC000006689963 569089289 /nfs/dbraw/zinc/08/92/89/569089289.db2.gz ZEMMOXACIVZCSE-UHFFFAOYSA-N 2 2 411.377 4.175 50 0 HIAALP CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC[NH+](C)C)cc1 ZINC000006870514 569160421 /nfs/dbraw/zinc/16/04/21/569160421.db2.gz VCCATZZHZGZXSG-UHFFFAOYSA-N 2 2 401.514 4.460 50 0 HIAALP