smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@H]1CNc1ncnc2sc(C(=O)N(C)C3CCCCC3)c(C)c21 ZINC000012190539 845858969 /nfs/dbraw/zinc/85/89/69/845858969.db2.gz ROYZANFQXVTZLG-KRWDZBQOSA-N 1 1 415.607 4.301 50 0 HIAAMO COc1ccc(CN2CC[N@H+]([C@H](C)CCc3c[nH]c4ccccc34)CCC2=O)cc1 ZINC000014958291 845994787 /nfs/dbraw/zinc/99/47/87/845994787.db2.gz VYQDVNHTOFEZJD-LJQANCHMSA-N 1 1 405.542 4.232 50 0 HIAAMO CC(=O)Nc1cccc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(CC(C)C)cc3)C2)c1 ZINC000014977785 845995499 /nfs/dbraw/zinc/99/54/99/845995499.db2.gz DDUFXKPENGCSBI-DEOSSOPVSA-N 1 1 407.558 4.238 50 0 HIAAMO COc1ccc(-n2ccnc2CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000019742105 846372108 /nfs/dbraw/zinc/37/21/08/846372108.db2.gz RGMXJUISZKGWQC-QHCPKHFHSA-N 1 1 404.558 4.020 50 0 HIAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020209767 846382476 /nfs/dbraw/zinc/38/24/76/846382476.db2.gz RWXAEZBLGHJEHD-QHCPKHFHSA-N 1 1 402.542 4.408 50 0 HIAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000022914611 846636648 /nfs/dbraw/zinc/63/66/48/846636648.db2.gz UEUAQPQXVCDSRI-HXUWFJFHSA-N 1 1 411.933 4.328 50 0 HIAAMO O=c1c(C[NH+]2CCC(O)(c3ccc(Br)cc3)CC2)coc2ccccc12 ZINC000023282709 846679971 /nfs/dbraw/zinc/67/99/71/846679971.db2.gz GMBKOIDNVFGPBQ-UHFFFAOYSA-N 1 1 414.299 4.039 50 0 HIAAMO Cn1c(=O)c(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc2ccc(Cl)cc21 ZINC000023339524 846686662 /nfs/dbraw/zinc/68/66/62/846686662.db2.gz XGXQFUADDZVRJJ-VMPITWQZSA-N 1 1 407.945 4.023 50 0 HIAAMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](Cc3cc4ccccc4o3)C1)CC2 ZINC000023375222 846691618 /nfs/dbraw/zinc/69/16/18/846691618.db2.gz GPJFAWXGBQOZKL-OAQYLSRUSA-N 1 1 406.526 4.473 50 0 HIAAMO CC(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3cnc(N4CCOCC4)s3)C2)cc1 ZINC000055371434 850008310 /nfs/dbraw/zinc/00/83/10/850008310.db2.gz ROKBMCVPKUXHNP-HXUWFJFHSA-N 1 1 400.592 4.180 50 0 HIAAMO CCOc1cc(/C=C\C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1OC ZINC000096585379 852551541 /nfs/dbraw/zinc/55/15/41/852551541.db2.gz RUGOOWPJVXVQAJ-VJIACCKLSA-N 1 1 414.933 4.151 50 0 HIAAMO CCOc1c(Cl)cc(/C=C\C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000096925967 852558227 /nfs/dbraw/zinc/55/82/27/852558227.db2.gz DNQDYHNUXXOVKZ-JPMGXVIASA-N 1 1 414.933 4.276 50 0 HIAAMO CCOc1c(Cl)cc(/C=C\C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1OC ZINC000096925967 852558233 /nfs/dbraw/zinc/55/82/33/852558233.db2.gz DNQDYHNUXXOVKZ-JPMGXVIASA-N 1 1 414.933 4.276 50 0 HIAAMO O=C(/C=C\c1cc(Cl)cc(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000098003992 852649864 /nfs/dbraw/zinc/64/98/64/852649864.db2.gz MIUIKJQTHBUCBM-WAYWQWQTSA-N 1 1 405.325 4.155 50 0 HIAAMO COc1cccc(-c2cc(C(=O)NC[C@H]3C[N@H+](C(C)C)CC34CCCCC4)[nH]n2)c1 ZINC000409419678 855483343 /nfs/dbraw/zinc/48/33/43/855483343.db2.gz DAOGUXFGYPIJQK-IBGZPJMESA-N 1 1 410.562 4.106 50 0 HIAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012517105 132361467 /nfs/dbraw/zinc/36/14/67/132361467.db2.gz NATIOVVHDMNEDO-OAHLLOKOSA-N 1 1 422.356 4.289 50 0 HIAAMO C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012517105 132361468 /nfs/dbraw/zinc/36/14/68/132361468.db2.gz NATIOVVHDMNEDO-OAHLLOKOSA-N 1 1 422.356 4.289 50 0 HIAAMO O=C(NCc1ccco1)c1cccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000034684579 132795349 /nfs/dbraw/zinc/79/53/49/132795349.db2.gz XKSKVGYTIBXWRS-UHFFFAOYSA-N 1 1 409.917 4.185 50 0 HIAAMO COc1cccc(N2CC[NH+](Cc3cccc(C(=O)Nc4ccc(F)cc4)c3)CC2)c1 ZINC000034684817 132795657 /nfs/dbraw/zinc/79/56/57/132795657.db2.gz ZUSLPBYCZCKVJU-UHFFFAOYSA-N 1 1 419.500 4.409 50 0 HIAAMO COc1cc(OC)cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000032848487 522846140 /nfs/dbraw/zinc/84/61/40/522846140.db2.gz RXXXVXKZFNDHGX-UHFFFAOYSA-N 1 1 422.447 4.071 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3cnc(C)[nH]3)C2)cc1 ZINC000042917348 523139639 /nfs/dbraw/zinc/13/96/39/523139639.db2.gz KFEVVEDGULOEOQ-LJQANCHMSA-N 1 1 404.514 4.244 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+](Cc3c[nH]c(C)n3)C2)cc1 ZINC000042917348 523139647 /nfs/dbraw/zinc/13/96/47/523139647.db2.gz KFEVVEDGULOEOQ-LJQANCHMSA-N 1 1 404.514 4.244 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3c[nH]c(C)n3)C2)cc1 ZINC000042917348 523139654 /nfs/dbraw/zinc/13/96/54/523139654.db2.gz KFEVVEDGULOEOQ-LJQANCHMSA-N 1 1 404.514 4.244 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cccn3-c3nccs3)C2)cc1 ZINC000020540518 523949051 /nfs/dbraw/zinc/94/90/51/523949051.db2.gz OYSYPWFNKAZTSN-NRFANRHFSA-N 1 1 424.614 4.329 50 0 HIAAMO COc1ccc(Cc2nc3ccc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)cc3o2)cc1 ZINC000040451184 524165929 /nfs/dbraw/zinc/16/59/29/524165929.db2.gz BDPLFYGSBOIPDS-KRWDZBQOSA-N 1 1 407.514 4.031 50 0 HIAAMO COc1ccc(Cl)cc1NC(=O)CSc1nc(C[NH+](C)C)nc2ccccc21 ZINC000032865930 524227564 /nfs/dbraw/zinc/22/75/64/524227564.db2.gz UJBIJZMWAILPLB-UHFFFAOYSA-N 1 1 416.934 4.084 50 0 HIAAMO COc1cccc(CCC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1OC ZINC000032930070 525880807 /nfs/dbraw/zinc/88/08/07/525880807.db2.gz LMXAWDSXFQBVNY-LJQANCHMSA-N 1 1 410.558 4.185 50 0 HIAAMO CSc1ccc(Cl)c(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000032818677 526012398 /nfs/dbraw/zinc/01/23/98/526012398.db2.gz OVTRDPWFOIPCMU-OAQYLSRUSA-N 1 1 418.006 4.171 50 0 HIAAMO CSc1ccc(Cl)c(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000032818677 526012407 /nfs/dbraw/zinc/01/24/07/526012407.db2.gz OVTRDPWFOIPCMU-OAQYLSRUSA-N 1 1 418.006 4.171 50 0 HIAAMO CSc1ccc(Cl)c(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000032818677 526012418 /nfs/dbraw/zinc/01/24/18/526012418.db2.gz OVTRDPWFOIPCMU-OAQYLSRUSA-N 1 1 418.006 4.171 50 0 HIAAMO Cc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1NC(=O)c1ccccc1 ZINC000032827381 526164705 /nfs/dbraw/zinc/16/47/05/526164705.db2.gz UKNXYGONGXFGRE-UHFFFAOYSA-N 1 1 413.521 4.035 50 0 HIAAMO O[C@H](COCc1ccc2c(c1)OCO2)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000032843157 526284883 /nfs/dbraw/zinc/28/48/83/526284883.db2.gz BQWNDSDANVLCTC-CYFREDJKSA-N 1 1 423.534 4.002 50 0 HIAAMO [NH3+]C[C@H]1CCCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072448242 527232843 /nfs/dbraw/zinc/23/28/43/527232843.db2.gz BZAQCYFGZVLSFU-OAHLLOKOSA-N 1 1 409.917 4.455 50 0 HIAAMO C[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000002884175 536423095 /nfs/dbraw/zinc/42/30/95/536423095.db2.gz WWLQJHIMZIMPGI-UHFFFAOYSA-N 1 1 415.965 4.407 50 0 HIAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](C)CC3)n2Cc2ccc(C(F)(F)F)cc2)s1 ZINC000034678449 557366660 /nfs/dbraw/zinc/36/66/60/557366660.db2.gz INNWNEKCRSGGRN-UHFFFAOYSA-N 1 1 421.488 4.466 50 0 HIAAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)Cc4cccs4)cn3)CC2)cc1 ZINC000034681831 557383636 /nfs/dbraw/zinc/38/36/36/557383636.db2.gz CSVNBZZSOXAKMF-UHFFFAOYSA-N 1 1 420.582 4.345 50 0 HIAAMO COCC(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034682657 557384290 /nfs/dbraw/zinc/38/42/90/557384290.db2.gz DHCXTBMTOVWQIW-UHFFFAOYSA-N 1 1 424.438 4.489 50 0 HIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nc2ccccc2c2nc(-c3cccnc3)nn21 ZINC000006805446 557722736 /nfs/dbraw/zinc/72/27/36/557722736.db2.gz WGVWNEJGMBORIM-CALCHBBNSA-N 1 1 401.518 4.014 50 0 HIAAMO CC(C)[N@@H+]1CCc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 ZINC000022699030 557793827 /nfs/dbraw/zinc/79/38/27/557793827.db2.gz SEUSVLMGYHOSPL-UHFFFAOYSA-N 1 1 400.331 4.234 50 0 HIAAMO CC(C)[N@H+]1CCc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1 ZINC000022699030 557793829 /nfs/dbraw/zinc/79/38/29/557793829.db2.gz SEUSVLMGYHOSPL-UHFFFAOYSA-N 1 1 400.331 4.234 50 0 HIAAMO COc1cc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2c2cccnc2)cc(OC)c1OC ZINC000011818849 558282105 /nfs/dbraw/zinc/28/21/05/558282105.db2.gz PCXIFDHTXODMFO-IBGZPJMESA-N 1 1 408.502 4.225 50 0 HIAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000011838316 558285324 /nfs/dbraw/zinc/28/53/24/558285324.db2.gz YCMAOSOKMQWYKJ-GOSISDBHSA-N 1 1 407.432 4.171 50 0 HIAAMO CN(Cc1cccn1-c1ncccn1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011842534 558287622 /nfs/dbraw/zinc/28/76/22/558287622.db2.gz DQEAZIKXOQCWBC-NRFANRHFSA-N 1 1 423.992 4.307 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000011878498 558292787 /nfs/dbraw/zinc/29/27/87/558292787.db2.gz DAWWVVGXEOQCEZ-IBGZPJMESA-N 1 1 420.509 4.298 50 0 HIAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCC(C)CC3)no2)cc1 ZINC000011905252 558295750 /nfs/dbraw/zinc/29/57/50/558295750.db2.gz YWSXTWGFWGMOKI-FQEVSTJZSA-N 1 1 409.486 4.146 50 0 HIAAMO O=C(c1cc2ccccc2oc1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019863573 558298605 /nfs/dbraw/zinc/29/86/05/558298605.db2.gz UEEQQETZHMVCNX-UHFFFAOYSA-N 1 1 424.500 4.340 50 0 HIAAMO COc1ccc(C[NH+]2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000019889050 558302375 /nfs/dbraw/zinc/30/23/75/558302375.db2.gz WIDPDFCJYLWUFS-SFTDATJTSA-N 1 1 424.585 4.348 50 0 HIAAMO O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019901734 558305022 /nfs/dbraw/zinc/30/50/22/558305022.db2.gz OPJGODMLQJKCLH-KRWDZBQOSA-N 1 1 415.748 4.209 50 0 HIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)c(C)c1 ZINC000012031519 558311431 /nfs/dbraw/zinc/31/14/31/558311431.db2.gz VWTAOTZESIWWSQ-QGZVFWFLSA-N 1 1 414.575 4.146 50 0 HIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)c(C)c1 ZINC000012031519 558311432 /nfs/dbraw/zinc/31/14/32/558311432.db2.gz VWTAOTZESIWWSQ-QGZVFWFLSA-N 1 1 414.575 4.146 50 0 HIAAMO O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](Cc1nccs1)CC2 ZINC000012038742 558312391 /nfs/dbraw/zinc/31/23/91/558312391.db2.gz OBNYUDHLVINVTM-FQEVSTJZSA-N 1 1 409.599 4.373 50 0 HIAAMO OC[C@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000012049145 558313640 /nfs/dbraw/zinc/31/36/40/558313640.db2.gz IXXKHDSUAUKKHZ-QHCPKHFHSA-N 1 1 413.924 4.482 50 0 HIAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000020117759 558336801 /nfs/dbraw/zinc/33/68/01/558336801.db2.gz IKYKMHDZODQJHT-FABAWLPWSA-N 1 1 405.586 4.385 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1ccc(F)cc1 ZINC000012150217 558338883 /nfs/dbraw/zinc/33/88/83/558338883.db2.gz HTEWKFHSCMSQRK-GOSISDBHSA-N 1 1 414.521 4.265 50 0 HIAAMO COc1ccc(CN2C(=O)CC[C@@H]3C[N@H+](C/C=C/c4ccccc4OC)CC[C@@H]32)cc1 ZINC000012201993 558351695 /nfs/dbraw/zinc/35/16/95/558351695.db2.gz OIQJYLUISQXFIK-KQAUKTGJSA-N 1 1 420.553 4.230 50 0 HIAAMO Cc1ccc2nc(-c3cccc(Br)c3)cc(C(=O)N3CC[NH+](C)CC3)c2c1 ZINC000020407698 558360540 /nfs/dbraw/zinc/36/05/40/558360540.db2.gz AGBVVQLGWCECMZ-UHFFFAOYSA-N 1 1 424.342 4.360 50 0 HIAAMO S=C(Nc1cc(Cl)ccc1Cl)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000020412854 558360919 /nfs/dbraw/zinc/36/09/19/558360919.db2.gz ZQWCBSKHDAKYNQ-HNNXBMFYSA-N 1 1 402.391 4.267 50 0 HIAAMO O=C(Nc1cccc(Cl)c1)N(CCC[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000020437671 558363205 /nfs/dbraw/zinc/36/32/05/558363205.db2.gz MGBAYSHSBKYJAA-UHFFFAOYSA-N 1 1 405.901 4.236 50 0 HIAAMO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccc(C(F)(F)F)cc3)[N@@H+]3CCC[C@@]123 ZINC000012307403 558376180 /nfs/dbraw/zinc/37/61/80/558376180.db2.gz IKVSUOLXSCXSHS-ZJOUEHCJSA-N 1 1 401.432 4.038 50 0 HIAAMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1C ZINC000012317447 558380874 /nfs/dbraw/zinc/38/08/74/558380874.db2.gz GADAAJADYMUHKV-FQEVSTJZSA-N 1 1 406.505 4.385 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)c(C)o2)cc1 ZINC000012430150 558404996 /nfs/dbraw/zinc/40/49/96/558404996.db2.gz IYZRURNWCDRIKC-NRFANRHFSA-N 1 1 421.497 4.013 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)c(C)o2)cc1 ZINC000012430150 558404998 /nfs/dbraw/zinc/40/49/98/558404998.db2.gz IYZRURNWCDRIKC-NRFANRHFSA-N 1 1 421.497 4.013 50 0 HIAAMO Cc1oc(-c2cc(F)ccc2F)nc1CN1CC[NH+](CCOc2ccccc2)CC1 ZINC000020784863 558413503 /nfs/dbraw/zinc/41/35/03/558413503.db2.gz WXIVIALTZJWWTN-UHFFFAOYSA-N 1 1 413.468 4.125 50 0 HIAAMO OCC[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)CC[N@H+]1Cc1cccs1 ZINC000020877760 558419387 /nfs/dbraw/zinc/41/93/87/558419387.db2.gz XDUWKTSBZXLRDI-HXUWFJFHSA-N 1 1 400.588 4.138 50 0 HIAAMO CC(C)c1csc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000012467978 558420947 /nfs/dbraw/zinc/42/09/47/558420947.db2.gz PYLJVLRWYCLGSL-KRWDZBQOSA-N 1 1 409.559 4.303 50 0 HIAAMO CC(C)c1csc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000012467978 558420949 /nfs/dbraw/zinc/42/09/49/558420949.db2.gz PYLJVLRWYCLGSL-KRWDZBQOSA-N 1 1 409.559 4.303 50 0 HIAAMO O=C(c1cc(-c2ccccn2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021005246 558428599 /nfs/dbraw/zinc/42/85/99/558428599.db2.gz CLCWROXQWBSDLG-UHFFFAOYSA-N 1 1 408.505 4.255 50 0 HIAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000012580903 558432311 /nfs/dbraw/zinc/43/23/11/558432311.db2.gz LYIOHHDANUQNQT-LJQANCHMSA-N 1 1 414.596 4.233 50 0 HIAAMO COc1cc(Cl)cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@H+]24)c1OC ZINC000012581316 558432721 /nfs/dbraw/zinc/43/27/21/558432721.db2.gz LIJGOYGBGCMICU-SDYXESRWSA-N 1 1 404.938 4.038 50 0 HIAAMO COc1cc(Cl)cc([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)c1OC ZINC000012581316 558432723 /nfs/dbraw/zinc/43/27/23/558432723.db2.gz LIJGOYGBGCMICU-SDYXESRWSA-N 1 1 404.938 4.038 50 0 HIAAMO CN(C(=O)c1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012583891 558433317 /nfs/dbraw/zinc/43/33/17/558433317.db2.gz VKGLAEALONKRBP-XMMPIXPASA-N 1 1 402.542 4.042 50 0 HIAAMO CCOC(=O)[C@@]1(CCc2ccccc2)CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012711732 558452956 /nfs/dbraw/zinc/45/29/56/558452956.db2.gz DMEYKEZVQBHHIS-RUZDIDTESA-N 1 1 418.541 4.045 50 0 HIAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000012778527 558462717 /nfs/dbraw/zinc/46/27/17/558462717.db2.gz MZMIFXONTHBQMO-QFIPXVFZSA-N 1 1 414.509 4.473 50 0 HIAAMO COc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OCc1csc(C)n1 ZINC000023763441 558575237 /nfs/dbraw/zinc/57/52/37/558575237.db2.gz RAPWNPNTJFIMNZ-UHFFFAOYSA-N 1 1 403.592 4.438 50 0 HIAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)c1 ZINC000024674708 558607260 /nfs/dbraw/zinc/60/72/60/558607260.db2.gz ZBWFCFLHTKHUKH-LJQANCHMSA-N 1 1 407.558 4.408 50 0 HIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000024842324 558617064 /nfs/dbraw/zinc/61/70/64/558617064.db2.gz SXSGUMGTLGPSQC-SFHVURJKSA-N 1 1 416.319 4.480 50 0 HIAAMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2)CCO1 ZINC000025060073 558629485 /nfs/dbraw/zinc/62/94/85/558629485.db2.gz NOVVCKYIUJTKPH-CQSZACIVSA-N 1 1 423.376 4.004 50 0 HIAAMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2)CCO1 ZINC000025060073 558629488 /nfs/dbraw/zinc/62/94/88/558629488.db2.gz NOVVCKYIUJTKPH-CQSZACIVSA-N 1 1 423.376 4.004 50 0 HIAAMO COCc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)sc2cccc(F)c21 ZINC000014190138 558632416 /nfs/dbraw/zinc/63/24/16/558632416.db2.gz UYNBLNZADNMZGU-INIZCTEOSA-N 1 1 402.491 4.347 50 0 HIAAMO CC(C)[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000025139573 558632407 /nfs/dbraw/zinc/63/24/07/558632407.db2.gz MJVQQNRBRLZDBG-JOCHJYFZSA-N 1 1 415.965 4.369 50 0 HIAAMO Cc1ccc(Sc2ccc(NC(=S)NCCC[NH+]3CCOCC3)cc2)cc1C ZINC000025392309 558640052 /nfs/dbraw/zinc/64/00/52/558640052.db2.gz VYABYPXVMOEFRE-UHFFFAOYSA-N 1 1 415.628 4.463 50 0 HIAAMO C[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680419 558647604 /nfs/dbraw/zinc/64/76/04/558647604.db2.gz LWMNSMXOTVCFRC-FQEVSTJZSA-N 1 1 404.554 4.351 50 0 HIAAMO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([N@@H+](C)CCC13CC4CC(CC(C4)C1)C3)C2 ZINC000014535436 558658089 /nfs/dbraw/zinc/65/80/89/558658089.db2.gz AJPJYRPIUWZPAP-MOVGKWKRSA-N 1 1 424.633 4.052 50 0 HIAAMO Cc1cc(C[N@@H+](C)Cc2ccc(OCCN(C)C(=O)c3ccc(C)cc3)cc2)on1 ZINC000014885236 558677421 /nfs/dbraw/zinc/67/74/21/558677421.db2.gz LCRPEMKOPZAZQT-UHFFFAOYSA-N 1 1 407.514 4.074 50 0 HIAAMO Cc1cc(C[N@H+](C)Cc2ccc(OCCN(C)C(=O)c3ccc(C)cc3)cc2)on1 ZINC000014885236 558677423 /nfs/dbraw/zinc/67/74/23/558677423.db2.gz LCRPEMKOPZAZQT-UHFFFAOYSA-N 1 1 407.514 4.074 50 0 HIAAMO Fc1cccc(CN2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1 ZINC000014887038 558677602 /nfs/dbraw/zinc/67/76/02/558677602.db2.gz KBUPEMBXGWSAFS-IBGZPJMESA-N 1 1 400.567 4.183 50 0 HIAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)C2)c1 ZINC000014954504 558682057 /nfs/dbraw/zinc/68/20/57/558682057.db2.gz CPVXCXKQDBIDAZ-OAQYLSRUSA-N 1 1 421.541 4.098 50 0 HIAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015065516 558708430 /nfs/dbraw/zinc/70/84/30/558708430.db2.gz CNUABROAFJAPBN-GOSISDBHSA-N 1 1 411.933 4.273 50 0 HIAAMO Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCC(C(=O)NCc4ccccc4)CC3)o2)c1 ZINC000029188716 558711459 /nfs/dbraw/zinc/71/14/59/558711459.db2.gz WQDZKQBEFORWMY-GOSISDBHSA-N 1 1 404.514 4.134 50 0 HIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1)c1cc2ccccc2[nH]1 ZINC000015075974 558716321 /nfs/dbraw/zinc/71/63/21/558716321.db2.gz WSAYSCABLJXUPG-MRXNPFEDSA-N 1 1 404.539 4.420 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(OC)c1 ZINC000015075739 558716333 /nfs/dbraw/zinc/71/63/33/558716333.db2.gz IXDCXCFLXMGKBJ-JOCHJYFZSA-N 1 1 424.585 4.445 50 0 HIAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2ccccc2Cl)ccc1OCC(N)=O ZINC000033087216 558760694 /nfs/dbraw/zinc/76/06/94/558760694.db2.gz RDWXHMKITLLLOX-LJQANCHMSA-N 1 1 402.922 4.330 50 0 HIAAMO C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000034871995 558786220 /nfs/dbraw/zinc/78/62/20/558786220.db2.gz VMOKLPZUULCAMG-JLMWRMLUSA-N 1 1 416.949 4.129 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccccc2Br)cc1 ZINC000016339214 558786887 /nfs/dbraw/zinc/78/68/87/558786887.db2.gz MCXVTHOYPHZJPW-FQEVSTJZSA-N 1 1 417.347 4.253 50 0 HIAAMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000016422345 558790277 /nfs/dbraw/zinc/79/02/77/558790277.db2.gz RBKOQUUYZJEQIS-MRXNPFEDSA-N 1 1 420.479 4.202 50 0 HIAAMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000016422345 558790280 /nfs/dbraw/zinc/79/02/80/558790280.db2.gz RBKOQUUYZJEQIS-MRXNPFEDSA-N 1 1 420.479 4.202 50 0 HIAAMO C[NH+]1CCN([C@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2cccs2)CC1 ZINC000032983774 558804712 /nfs/dbraw/zinc/80/47/12/558804712.db2.gz ZDVSJBHTIVUMIU-HSZRJFAPSA-N 1 1 419.594 4.063 50 0 HIAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2sc(N(C)C)nc2Cl)CC1 ZINC000019227912 558852980 /nfs/dbraw/zinc/85/29/80/558852980.db2.gz NCKIXWCWSDFFHP-UHFFFAOYSA-N 1 1 421.994 4.251 50 0 HIAAMO CCOc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088934 558871856 /nfs/dbraw/zinc/87/18/56/558871856.db2.gz VSRGWTIECIMDKK-JOCHJYFZSA-N 1 1 412.574 4.186 50 0 HIAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccc(C(C)=O)c4)C3)C2)c1OC ZINC000055099906 558872245 /nfs/dbraw/zinc/87/22/45/558872245.db2.gz CLJRQVBTJWFKTC-SANMLTNESA-N 1 1 422.569 4.395 50 0 HIAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000055168867 558875085 /nfs/dbraw/zinc/87/50/85/558875085.db2.gz WKPFWSLKLZLJCM-KRWDZBQOSA-N 1 1 403.979 4.137 50 0 HIAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3csc(C(C)C)n3)C2)CC1 ZINC000055271253 558878063 /nfs/dbraw/zinc/87/80/63/558878063.db2.gz XMUYRXKCIBQDTA-IBGZPJMESA-N 1 1 412.603 4.002 50 0 HIAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]C[C@@H]1COc2ccccc2O1)c1ccccc1 ZINC000057945313 558891726 /nfs/dbraw/zinc/89/17/26/558891726.db2.gz IOZSVHJNWUYIRU-DVECYGJZSA-N 1 1 418.493 4.195 50 0 HIAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000071422368 558897946 /nfs/dbraw/zinc/89/79/46/558897946.db2.gz BIJUAOSIXVSYIQ-MOPGFXCFSA-N 1 1 403.482 4.295 50 0 HIAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000071422368 558897948 /nfs/dbraw/zinc/89/79/48/558897948.db2.gz BIJUAOSIXVSYIQ-MOPGFXCFSA-N 1 1 403.482 4.295 50 0 HIAAMO Fc1ccc(-c2csc3ncnc(N4CC[NH+](Cc5ccncc5)CC4)c23)cc1 ZINC000058171361 558908091 /nfs/dbraw/zinc/90/80/91/558908091.db2.gz ZUYGLMXRFOXZNI-UHFFFAOYSA-N 1 1 405.502 4.215 50 0 HIAAMO CN1CCC([N@H+](C)C[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000058266318 558915836 /nfs/dbraw/zinc/91/58/36/558915836.db2.gz WCDBPWHDWTUPDL-OAQYLSRUSA-N 1 1 419.491 4.203 50 0 HIAAMO CN1CCC([N@@H+](C)C[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)CC1 ZINC000058266318 558915840 /nfs/dbraw/zinc/91/58/40/558915840.db2.gz WCDBPWHDWTUPDL-OAQYLSRUSA-N 1 1 419.491 4.203 50 0 HIAAMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cc2cc3c(cc2nc1-c1ccc(Cl)cc1)CCC3 ZINC000072410424 558977520 /nfs/dbraw/zinc/97/75/20/558977520.db2.gz MYTTYEWUPUSUMX-QFIPXVFZSA-N 1 1 405.929 4.494 50 0 HIAAMO Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576168 558979564 /nfs/dbraw/zinc/97/95/64/558979564.db2.gz PNZHAWYWOLWYAC-SFTDATJTSA-N 1 1 405.542 4.111 50 0 HIAAMO CCn1cc(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c(C)n1 ZINC000072453914 558982952 /nfs/dbraw/zinc/98/29/52/558982952.db2.gz HRNRNDNEGXNYGE-UHFFFAOYSA-N 1 1 407.484 4.260 50 0 HIAAMO OC[C@@H]1CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072474213 558983521 /nfs/dbraw/zinc/98/35/21/558983521.db2.gz UXWKNKHSFQMOHY-OAHLLOKOSA-N 1 1 410.901 4.488 50 0 HIAAMO Cc1ncsc1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000077383569 559003143 /nfs/dbraw/zinc/00/31/43/559003143.db2.gz JNBGRSQWPUNPSY-QFIPXVFZSA-N 1 1 401.551 4.038 50 0 HIAAMO Cc1noc(C)c1CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000024013672 559187599 /nfs/dbraw/zinc/18/75/99/559187599.db2.gz AHFKLDOOQKNELH-UHFFFAOYSA-N 1 1 403.526 4.158 50 0 HIAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCC[N@@H+]4CCc5ccccc5C4)sc3c2c1 ZINC000004939554 559212754 /nfs/dbraw/zinc/21/27/54/559212754.db2.gz PWEOZCBEVAXSOH-UHFFFAOYSA-N 1 1 418.518 4.104 50 0 HIAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCC[N@H+]4CCc5ccccc5C4)sc3c2c1 ZINC000004939554 559212755 /nfs/dbraw/zinc/21/27/55/559212755.db2.gz PWEOZCBEVAXSOH-UHFFFAOYSA-N 1 1 418.518 4.104 50 0 HIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248154676 559265713 /nfs/dbraw/zinc/26/57/13/559265713.db2.gz HTQWRLSEVGPVIZ-UGKGYDQZSA-N 1 1 418.578 4.234 50 0 HIAAMO Cc1ccccc1N1C(=O)C[C@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000101490457 560795945 /nfs/dbraw/zinc/79/59/45/560795945.db2.gz NWNLIPAMPNISPJ-IBGZPJMESA-N 1 1 405.523 4.116 50 0 HIAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 ZINC000107497321 560896507 /nfs/dbraw/zinc/89/65/07/560896507.db2.gz VBHYESBBZOKLMW-ZTFGCOKTSA-N 1 1 402.926 4.316 50 0 HIAAMO Fc1cccc(-c2noc([C@@H]3CCCN([C@@H]4CC[N@@H+](CCc5ccccc5)C4)C3)n2)c1 ZINC000108171255 560898352 /nfs/dbraw/zinc/89/83/52/560898352.db2.gz JWRJTAHOCNAGTF-FYYLOGMGSA-N 1 1 420.532 4.372 50 0 HIAAMO Fc1cccc(-c2noc([C@@H]3CCC[N@@H+]([C@@H]4CCN(CCc5ccccc5)C4)C3)n2)c1 ZINC000108171255 560898353 /nfs/dbraw/zinc/89/83/53/560898353.db2.gz JWRJTAHOCNAGTF-FYYLOGMGSA-N 1 1 420.532 4.372 50 0 HIAAMO Fc1cccc(-c2noc([C@@H]3CCC[N@H+]([C@@H]4CCN(CCc5ccccc5)C4)C3)n2)c1 ZINC000108171255 560898354 /nfs/dbraw/zinc/89/83/54/560898354.db2.gz JWRJTAHOCNAGTF-FYYLOGMGSA-N 1 1 420.532 4.372 50 0 HIAAMO CCCc1nn2c(nc(C[N@H+](Cc3ccc(OCC)cc3)CC(C)C)cc2=O)s1 ZINC000046032487 568424785 /nfs/dbraw/zinc/42/47/85/568424785.db2.gz NSBFCOVBFVQEEM-UHFFFAOYSA-N 1 1 414.575 4.160 50 0 HIAAMO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c(C)c1 ZINC000049403393 568448404 /nfs/dbraw/zinc/44/84/04/568448404.db2.gz UOLLQNNNVXWLII-UHFFFAOYSA-N 1 1 408.477 4.311 50 0 HIAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccccc1Cl ZINC000022620005 568495626 /nfs/dbraw/zinc/49/56/26/568495626.db2.gz COWYVWRHYFBLDB-GOSISDBHSA-N 1 1 414.855 4.452 50 0 HIAAMO CSc1ccccc1NC(=O)C[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000095408408 568606367 /nfs/dbraw/zinc/60/63/67/568606367.db2.gz ZDYZILVCRXFEFK-UHFFFAOYSA-N 1 1 407.580 4.115 50 0 HIAAMO CCOc1cc(CN2CCC[N@H+](C(C)C)CC2)cc(Br)c1OC(F)F ZINC000095453825 568615935 /nfs/dbraw/zinc/61/59/35/568615935.db2.gz GKHZIAOIIOTYKL-UHFFFAOYSA-N 1 1 421.326 4.365 50 0 HIAAMO CC(C)[N@H+](Cc1ccc(NC(=O)CSc2nncs2)cc1)C[C@H]1CCCCO1 ZINC000095461569 568620811 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O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000057296742 568826168 /nfs/dbraw/zinc/82/61/68/568826168.db2.gz MRGKIKSISIEZKA-HSZRJFAPSA-N 1 1 423.513 4.332 50 0 HIAAMO O=c1[nH]ncc(N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)c1Cl ZINC000029527631 568827511 /nfs/dbraw/zinc/82/75/11/568827511.db2.gz DDEPCULLGAMTSS-UHFFFAOYSA-N 1 1 421.353 4.127 50 0 HIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000003245200 568848108 /nfs/dbraw/zinc/84/81/08/568848108.db2.gz SQXMKUNZAVZSTN-AWEZNQCLSA-N 1 1 404.507 4.401 50 0 HIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000003245200 568848109 /nfs/dbraw/zinc/84/81/09/568848109.db2.gz SQXMKUNZAVZSTN-AWEZNQCLSA-N 1 1 404.507 4.401 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003063902 568853300 /nfs/dbraw/zinc/85/33/00/568853300.db2.gz QDBQYHHHPMSIHH-WPGBELRESA-N 1 1 421.566 4.376 50 0 HIAAMO CCC[NH+]1CCN(C(=O)c2[nH]c3cc(OC)ccc3c2Sc2ccccc2)CC1 ZINC000058130816 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CCSc1ncc(C[N@@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011818671 569363667 /nfs/dbraw/zinc/36/36/67/569363667.db2.gz DMMSQXQYGREHOE-QFIPXVFZSA-N 1 1 418.557 4.355 50 0 HIAAMO CCSc1ncc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011818671 569363669 /nfs/dbraw/zinc/36/36/69/569363669.db2.gz DMMSQXQYGREHOE-QFIPXVFZSA-N 1 1 418.557 4.355 50 0 HIAAMO CC(C)c1sc(-n2cccc2)nc1C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253412713 569366733 /nfs/dbraw/zinc/36/67/33/569366733.db2.gz RUAWMKCZIHIMQT-ZWKOTPCHSA-N 1 1 400.592 4.394 50 0 HIAAMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000079073942 569427030 /nfs/dbraw/zinc/42/70/30/569427030.db2.gz GZCGRJAKVZIYOK-JOCHJYFZSA-N 1 1 415.622 4.210 50 0 HIAAMO FC(F)(F)Oc1ccccc1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000040088656 571159012 /nfs/dbraw/zinc/15/90/12/571159012.db2.gz AYHZLOGZMIMIGM-UHFFFAOYSA-N 1 1 417.431 4.260 50 0 HIAAMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C1 ZINC000040107134 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C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2cccnc2)CC1 ZINC000012242415 845861762 /nfs/dbraw/zinc/86/17/62/845861762.db2.gz XNXWJALHWZCPIS-NQIIRXRSSA-N 1 1 403.530 4.046 50 0 HIAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2cccnc2)CC1 ZINC000012242416 845861841 /nfs/dbraw/zinc/86/18/41/845861841.db2.gz XNXWJALHWZCPIS-RXVVDRJESA-N 1 1 403.530 4.046 50 0 HIAAMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c2ccccc2n1 ZINC000012314116 845867172 /nfs/dbraw/zinc/86/71/72/845867172.db2.gz MAQPWSDINPGCLT-HXUWFJFHSA-N 1 1 403.526 4.023 50 0 HIAAMO Cc1nc2sccn2c1C[N@H+]1CCC[C@H](CCC(=O)NCc2ccccc2F)C1 ZINC000012430300 845870327 /nfs/dbraw/zinc/87/03/27/845870327.db2.gz FZXUDWMLIJHVPM-QGZVFWFLSA-N 1 1 414.550 4.152 50 0 HIAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000012712376 845884875 /nfs/dbraw/zinc/88/48/75/845884875.db2.gz VHRYEAHPBUNYCB-GOSISDBHSA-N 1 1 402.454 4.334 50 0 HIAAMO 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ZINC000015071977 846005347 /nfs/dbraw/zinc/00/53/47/846005347.db2.gz PJBNZRGKFRIPQJ-OAQYLSRUSA-N 1 1 403.526 4.168 50 0 HIAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2nc3ccccc3n2CC)CC1 ZINC000015076521 846006778 /nfs/dbraw/zinc/00/67/78/846006778.db2.gz CILSAJRWDHKEMH-UHFFFAOYSA-N 1 1 405.542 4.444 50 0 HIAAMO O=C(Nc1ccc2c(c1)C[N@H+](CCCn1cccn1)CC2)C1(c2ccccc2)CC1 ZINC000019760004 846372150 /nfs/dbraw/zinc/37/21/50/846372150.db2.gz ZCJHKZYZKKVHOD-UHFFFAOYSA-N 1 1 400.526 4.002 50 0 HIAAMO COc1ccc(-n2ccnc2CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000019742103 846372895 /nfs/dbraw/zinc/37/28/95/846372895.db2.gz RGMXJUISZKGWQC-HSZRJFAPSA-N 1 1 404.558 4.020 50 0 HIAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000020203259 846382959 /nfs/dbraw/zinc/38/29/59/846382959.db2.gz AQHGNHYAFSNFED-DOHLAZSCSA-N 1 1 409.549 4.134 50 0 HIAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000020203259 846382974 /nfs/dbraw/zinc/38/29/74/846382974.db2.gz AQHGNHYAFSNFED-DOHLAZSCSA-N 1 1 409.549 4.134 50 0 HIAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+]2CCC[C@@H](c3nncn3C)C2)o1 ZINC000020513384 846385598 /nfs/dbraw/zinc/38/55/98/846385598.db2.gz QPZYGUAJJFGBKI-QGZVFWFLSA-N 1 1 420.492 4.088 50 0 HIAAMO COc1ccc(CN2CC[NH+](Cc3ccc(SC)cc3)CC2)cc1Br ZINC000022130506 846534993 /nfs/dbraw/zinc/53/49/93/846534993.db2.gz OQLOXPIXPIWIPS-UHFFFAOYSA-N 1 1 421.404 4.497 50 0 HIAAMO CSc1ncc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000055132428 849975339 /nfs/dbraw/zinc/97/53/39/849975339.db2.gz LGPOYAFFIWSAFG-SFHVURJKSA-N 1 1 405.011 4.238 50 0 HIAAMO Cc1ccccc1-c1nn(CN2CC[NH+](C/C=C\c3ccccc3)CC2)c(=S)o1 ZINC000096658657 852554251 /nfs/dbraw/zinc/55/42/51/852554251.db2.gz STKDBGDRZWVADA-XFFZJAGNSA-N 1 1 406.555 4.470 50 0 HIAAMO C[C@@H](Cc1ccsc1)NC(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104297055 852670609 /nfs/dbraw/zinc/67/06/09/852670609.db2.gz IWXYILNIKHLHEK-FDDCHVKYSA-N 1 1 406.551 4.431 50 0 HIAAMO C[C@@H](Cc1ccsc1)NC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104297055 852670613 /nfs/dbraw/zinc/67/06/13/852670613.db2.gz IWXYILNIKHLHEK-FDDCHVKYSA-N 1 1 406.551 4.431 50 0 HIAAMO CC1CCN(C(=O)c2ccccc2OC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000169765036 853658447 /nfs/dbraw/zinc/65/84/47/853658447.db2.gz UGHDSZJEWHCFCU-JOCHJYFZSA-N 1 1 407.558 4.245 50 0 HIAAMO O=C(c1ccoc1)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776685 853663850 /nfs/dbraw/zinc/66/38/50/853663850.db2.gz YTDYEWZTTNFQTM-JOCHJYFZSA-N 1 1 412.505 4.237 50 0 HIAAMO C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000252672158 854204751 /nfs/dbraw/zinc/20/47/51/854204751.db2.gz PJRMFQGLSRNIKD-RDGATRHJSA-N 1 1 405.586 4.024 50 0 HIAAMO C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000252672158 854204759 /nfs/dbraw/zinc/20/47/59/854204759.db2.gz PJRMFQGLSRNIKD-RDGATRHJSA-N 1 1 405.586 4.024 50 0 HIAAMO Cc1nnc([C@H]2CC3(C[N@@H+]2Cc2ccccc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257181444 854232365 /nfs/dbraw/zinc/23/23/65/854232365.db2.gz FOILSDWZOJOAMQ-JOCHJYFZSA-N 1 1 416.525 4.248 50 0 HIAAMO Cc1nnc([C@H]2CC3(C[N@H+]2Cc2ccccc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257181444 854232371 /nfs/dbraw/zinc/23/23/71/854232371.db2.gz FOILSDWZOJOAMQ-JOCHJYFZSA-N 1 1 416.525 4.248 50 0 HIAAMO COc1cccc(OC)c1C[NH+]1CCC(F)(c2nc(Cc3ccccc3)no2)CC1 ZINC000257181055 854232428 /nfs/dbraw/zinc/23/24/28/854232428.db2.gz FDCSSMAZJKCIFQ-UHFFFAOYSA-N 1 1 411.477 4.138 50 0 HIAAMO CCc1nc(C)c(CN2CCOc3ccc(C[N@@H+]4CCc5sccc5C4)cc3C2)[nH]1 ZINC000299773106 854280824 /nfs/dbraw/zinc/28/08/24/854280824.db2.gz DEXVVDLZGLYYSE-UHFFFAOYSA-N 1 1 422.598 4.295 50 0 HIAAMO CCc1nc(C)c(CN2CCOc3ccc(C[N@H+]4CCc5sccc5C4)cc3C2)[nH]1 ZINC000299773106 854280832 /nfs/dbraw/zinc/28/08/32/854280832.db2.gz DEXVVDLZGLYYSE-UHFFFAOYSA-N 1 1 422.598 4.295 50 0 HIAAMO Cn1cccc1C[N@H+]1CC[C@H](Oc2ccccc2-c2nc(-c3ccccc3)no2)C1 ZINC000575314387 948642616 /nfs/dbraw/zinc/64/26/16/948642616.db2.gz 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CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000012029108 558310634 /nfs/dbraw/zinc/31/06/34/558310634.db2.gz MUHPIYCLCRTNJM-QHCPKHFHSA-N 1 1 401.503 4.040 50 0 HIAAMO OC[C@]1(Cc2ccc(F)cc2)CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000012049383 558313578 /nfs/dbraw/zinc/31/35/78/558313578.db2.gz CESVNUOWKPJCMA-SANMLTNESA-N 1 1 410.577 4.150 50 0 HIAAMO CCC(C)(C)[C@H]1CCc2sc3ncnc(NCCC[NH+]4CCOCC4)c3c2C1 ZINC000020134983 558337440 /nfs/dbraw/zinc/33/74/40/558337440.db2.gz JSCQAXXPCGAVOL-INIZCTEOSA-N 1 1 402.608 4.367 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C2CCN(C)CC2)c(F)c1 ZINC000020206542 558346847 /nfs/dbraw/zinc/34/68/47/558346847.db2.gz LFNBPRDTKLMFSE-UHFFFAOYSA-N 1 1 408.521 4.213 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C2CC[NH+](C)CC2)c(F)c1 ZINC000020206542 558346848 /nfs/dbraw/zinc/34/68/48/558346848.db2.gz LFNBPRDTKLMFSE-UHFFFAOYSA-N 1 1 408.521 4.213 50 0 HIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012196559 558349788 /nfs/dbraw/zinc/34/97/88/558349788.db2.gz JCAYFPQDTGTLFQ-XMMPIXPASA-N 1 1 409.505 4.042 50 0 HIAAMO FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449301 558364645 /nfs/dbraw/zinc/36/46/45/558364645.db2.gz AYORWNBJHCSFHE-OAQYLSRUSA-N 1 1 403.492 4.492 50 0 HIAAMO FC(F)(F)c1ccccc1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449301 558364647 /nfs/dbraw/zinc/36/46/47/558364647.db2.gz AYORWNBJHCSFHE-OAQYLSRUSA-N 1 1 403.492 4.492 50 0 HIAAMO Cn1cc(C[N@@H+](C)CCCN2CCOCC2)c(-c2ccc(Oc3ccccc3)cc2)n1 ZINC000020449753 558364793 /nfs/dbraw/zinc/36/47/93/558364793.db2.gz ZVYQQGAICCFFCL-UHFFFAOYSA-N 1 1 420.557 4.034 50 0 HIAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3cccc(C(C)=O)c3)C2)cc1OC ZINC000020452665 558366804 /nfs/dbraw/zinc/36/68/04/558366804.db2.gz MEQOYFMAOGYJMQ-HSZRJFAPSA-N 1 1 410.558 4.045 50 0 HIAAMO CCS(=O)(=O)c1ncc(C[N@H+](C)C2CCCCC2)n1CCCc1ccccc1 ZINC000012316903 558380223 /nfs/dbraw/zinc/38/02/23/558380223.db2.gz RYPYKVCJMOCJPK-UHFFFAOYSA-N 1 1 403.592 4.074 50 0 HIAAMO CCS(=O)(=O)c1ncc(C[N@@H+](C)C2CCCCC2)n1CCCc1ccccc1 ZINC000012316903 558380226 /nfs/dbraw/zinc/38/02/26/558380226.db2.gz RYPYKVCJMOCJPK-UHFFFAOYSA-N 1 1 403.592 4.074 50 0 HIAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000012387370 558396058 /nfs/dbraw/zinc/39/60/58/558396058.db2.gz IHTKCDIXTXILJD-UHFFFAOYSA-N 1 1 413.514 4.015 50 0 HIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000012437536 558409325 /nfs/dbraw/zinc/40/93/25/558409325.db2.gz SZUBPVXREJAAFS-LJQANCHMSA-N 1 1 400.563 4.500 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000012459538 558418819 /nfs/dbraw/zinc/41/88/19/558418819.db2.gz HKRVDOCVVKDHCI-FQEVSTJZSA-N 1 1 410.558 4.321 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc2ccccc2cn1 ZINC000012472562 558422372 /nfs/dbraw/zinc/42/23/72/558422372.db2.gz VPJKJGUDHNQASZ-FQEVSTJZSA-N 1 1 405.517 4.401 50 0 HIAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012587809 558434688 /nfs/dbraw/zinc/43/46/88/558434688.db2.gz QHOHUAXLELBICQ-LJQANCHMSA-N 1 1 405.517 4.401 50 0 HIAAMO O=C(NC[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3Cl)c2)C1)c1cccs1 ZINC000012595365 558437435 /nfs/dbraw/zinc/43/74/35/558437435.db2.gz WJVCRWDGXYHXFQ-MRXNPFEDSA-N 1 1 414.962 4.229 50 0 HIAAMO COc1ccc(-c2noc(CN(C)CC3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000012597422 558438376 /nfs/dbraw/zinc/43/83/76/558438376.db2.gz BWNOVXXUHGDEFN-UHFFFAOYSA-N 1 1 406.530 4.089 50 0 HIAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1OC ZINC000012704967 558449571 /nfs/dbraw/zinc/44/95/71/558449571.db2.gz LLYQJPXQJBVJER-OAQYLSRUSA-N 1 1 400.563 4.060 50 0 HIAAMO CCCn1ncc(CN(CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1C ZINC000012706935 558450283 /nfs/dbraw/zinc/45/02/83/558450283.db2.gz RKUVYMPYKSXAIG-QHCPKHFHSA-N 1 1 412.622 4.387 50 0 HIAAMO CCCn1ncc(C[N@H+](CC)C[C@@H]2CCCN(CCc3cccc(OC)c3)C2)c1C ZINC000012706935 558450300 /nfs/dbraw/zinc/45/03/00/558450300.db2.gz RKUVYMPYKSXAIG-QHCPKHFHSA-N 1 1 412.622 4.387 50 0 HIAAMO CCCn1ncc(C[N@@H+](CC)C[C@@H]2CCCN(CCc3cccc(OC)c3)C2)c1C ZINC000012706935 558450301 /nfs/dbraw/zinc/45/03/01/558450301.db2.gz RKUVYMPYKSXAIG-QHCPKHFHSA-N 1 1 412.622 4.387 50 0 HIAAMO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2c(C)nn(C)c2Cl)CC1 ZINC000012709810 558451869 /nfs/dbraw/zinc/45/18/69/558451869.db2.gz ICAZPKSKJNDXNY-UHFFFAOYSA-N 1 1 424.372 4.423 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2Cc2cnn(C)c2C)cc1 ZINC000012711030 558452401 /nfs/dbraw/zinc/45/24/01/558452401.db2.gz RVQRSYIILLNFAU-QHCPKHFHSA-N 1 1 404.514 4.007 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@H+]2Cc2cnn(C)c2C)cc1 ZINC000012711030 558452405 /nfs/dbraw/zinc/45/24/05/558452405.db2.gz RVQRSYIILLNFAU-QHCPKHFHSA-N 1 1 404.514 4.007 50 0 HIAAMO CCn1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746453 558458354 /nfs/dbraw/zinc/45/83/54/558458354.db2.gz HVKOIJIACVOFBB-LJQANCHMSA-N 1 1 408.512 4.308 50 0 HIAAMO C[NH+]1CCN([C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)CC1 ZINC000022038028 558459599 /nfs/dbraw/zinc/45/95/99/558459599.db2.gz XCSWKLJTMOYQHP-SFHVURJKSA-N 1 1 411.855 4.286 50 0 HIAAMO C[NH+](C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000012786679 558463234 /nfs/dbraw/zinc/46/32/34/558463234.db2.gz ZNSMNADWXBYTRF-NRFANRHFSA-N 1 1 400.482 4.165 50 0 HIAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc2oc3ccccc3c2c1)[NH+](C)C ZINC000012789452 558464508 /nfs/dbraw/zinc/46/45/08/558464508.db2.gz GQYDCURTNSIBKR-OAQYLSRUSA-N 1 1 418.493 4.393 50 0 HIAAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000013056920 558508700 /nfs/dbraw/zinc/50/87/00/558508700.db2.gz SMIZBQPLYUBWFN-CQSZACIVSA-N 1 1 408.329 4.119 50 0 HIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000013069462 558510939 /nfs/dbraw/zinc/51/09/39/558510939.db2.gz LFCMDTGUBDFYED-KSZLIROESA-N 1 1 409.530 4.252 50 0 HIAAMO CC(=O)c1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022930455 558524286 /nfs/dbraw/zinc/52/42/86/558524286.db2.gz IGLULGWFHZPLQP-KRWDZBQOSA-N 1 1 421.566 4.249 50 0 HIAAMO C[NH+](C)CCNCc1ccc(-c2ccc(Br)cc2Br)o1 ZINC000022937210 558527392 /nfs/dbraw/zinc/52/73/92/558527392.db2.gz PRXBRQJHRKIYJD-UHFFFAOYSA-N 1 1 402.130 4.123 50 0 HIAAMO C[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1Br ZINC000023198294 558542180 /nfs/dbraw/zinc/54/21/80/558542180.db2.gz IXQVETGJOPAKOO-UHFFFAOYSA-N 1 1 424.726 4.002 50 0 HIAAMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC(=O)Nc1ccccc1Br ZINC000023198294 558542183 /nfs/dbraw/zinc/54/21/83/558542183.db2.gz IXQVETGJOPAKOO-UHFFFAOYSA-N 1 1 424.726 4.002 50 0 HIAAMO Cc1cc2oc(=O)cc(CN3CC[NH+](Cc4ccc5c(c4)CCO5)CC3)c2cc1Cl ZINC000023303253 558548367 /nfs/dbraw/zinc/54/83/67/558548367.db2.gz CRJXXZOLTCYNKE-UHFFFAOYSA-N 1 1 424.928 4.008 50 0 HIAAMO O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000013641678 558555714 /nfs/dbraw/zinc/55/57/14/558555714.db2.gz RZMWZGIFTOTZFF-KRWDZBQOSA-N 1 1 414.465 4.070 50 0 HIAAMO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023883249 558580274 /nfs/dbraw/zinc/58/02/74/558580274.db2.gz VREFHKJCCHAXIQ-XXBNENTESA-N 1 1 405.523 4.463 50 0 HIAAMO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023883249 558580278 /nfs/dbraw/zinc/58/02/78/558580278.db2.gz VREFHKJCCHAXIQ-XXBNENTESA-N 1 1 405.523 4.463 50 0 HIAAMO c1coc(-c2noc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1 ZINC000024831407 558614932 /nfs/dbraw/zinc/61/49/32/558614932.db2.gz VHXNVDQVCFFRDI-UHFFFAOYSA-N 1 1 400.482 4.237 50 0 HIAAMO Cc1cc(F)ccc1NC(=O)CC[C@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000014948375 558680362 /nfs/dbraw/zinc/68/03/62/558680362.db2.gz OURBPVDLSMVQQP-LJQANCHMSA-N 1 1 414.521 4.136 50 0 HIAAMO CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014951560 558681304 /nfs/dbraw/zinc/68/13/04/558681304.db2.gz PAMDDSIINGTGJC-DEOSSOPVSA-N 1 1 415.537 4.204 50 0 HIAAMO COc1ccc(CN2CC[N@H+]([C@@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000014994214 558695502 /nfs/dbraw/zinc/69/55/02/558695502.db2.gz NSEVHBIETVSHAG-KRWDZBQOSA-N 1 1 420.475 4.380 50 0 HIAAMO Cc1ccccc1CN1CC[C@H]([N@@H+](C)Cc2nc(-c3ccccc3)no2)CCC1=O ZINC000014997411 558696585 /nfs/dbraw/zinc/69/65/85/558696585.db2.gz GVKPNTXJUXLEKB-OAQYLSRUSA-N 1 1 404.514 4.058 50 0 HIAAMO O=C(CN1CC[NH+](CCOc2ccc3ccccc3c2)CC1)Nc1ccccc1Cl ZINC000029173144 558711293 /nfs/dbraw/zinc/71/12/93/558711293.db2.gz MCGHJDDVFYRRNP-UHFFFAOYSA-N 1 1 423.944 4.128 50 0 HIAAMO C[C@@H](c1ccncn1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015069717 558711803 /nfs/dbraw/zinc/71/18/03/558711803.db2.gz ROZWYSFPNUWCES-KRWDZBQOSA-N 1 1 413.481 4.251 50 0 HIAAMO C[C@@H](c1ccncn1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015069717 558711805 /nfs/dbraw/zinc/71/18/05/558711805.db2.gz ROZWYSFPNUWCES-KRWDZBQOSA-N 1 1 413.481 4.251 50 0 HIAAMO O=C(c1ccc(F)c(F)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000015075226 558715744 /nfs/dbraw/zinc/71/57/44/558715744.db2.gz PNQGHDGBWUFNMF-QFIPXVFZSA-N 1 1 406.423 4.371 50 0 HIAAMO O=C(c1ccc(F)c(F)c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000015075226 558715746 /nfs/dbraw/zinc/71/57/46/558715746.db2.gz PNQGHDGBWUFNMF-QFIPXVFZSA-N 1 1 406.423 4.371 50 0 HIAAMO COc1cc(CN(C)C(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)ccc1OCc1ccccc1 ZINC000029725481 558719113 /nfs/dbraw/zinc/71/91/13/558719113.db2.gz ZTQIWKUZELCGLF-LJQANCHMSA-N 1 1 422.569 4.496 50 0 HIAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC ZINC000004555331 558724273 /nfs/dbraw/zinc/72/42/73/558724273.db2.gz GPJKVCMAIPRVPT-IBGZPJMESA-N 1 1 401.532 4.351 50 0 HIAAMO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000072304022 558756728 /nfs/dbraw/zinc/75/67/28/558756728.db2.gz AGTRLWRJMASONC-GOTSBHOMSA-N 1 1 410.558 4.148 50 0 HIAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000015860436 558758230 /nfs/dbraw/zinc/75/82/30/558758230.db2.gz SBAOGBRSHKMNLF-IBGZPJMESA-N 1 1 408.498 4.214 50 0 HIAAMO O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NCCC[NH+]1CCOCC1 ZINC000022145845 558779232 /nfs/dbraw/zinc/77/92/32/558779232.db2.gz LJDYOPWZHLTYBB-QPJJXVBHSA-N 1 1 409.313 4.105 50 0 HIAAMO O=S(=O)(NC[C@@H]([NH2+]Cc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000004745126 558780621 /nfs/dbraw/zinc/78/06/21/558780621.db2.gz QIPVENBGVDEQBP-OAQYLSRUSA-N 1 1 400.931 4.149 50 0 HIAAMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000016344420 558787089 /nfs/dbraw/zinc/78/70/89/558787089.db2.gz BNTWZEUKPFMCKN-QFIPXVFZSA-N 1 1 408.542 4.422 50 0 HIAAMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000016344420 558787090 /nfs/dbraw/zinc/78/70/90/558787090.db2.gz BNTWZEUKPFMCKN-QFIPXVFZSA-N 1 1 408.542 4.422 50 0 HIAAMO COc1ccc(C[N@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1Br ZINC000016430374 558791168 /nfs/dbraw/zinc/79/11/68/558791168.db2.gz KVNQVNCEDLWLOF-UHFFFAOYSA-N 1 1 400.320 4.335 50 0 HIAAMO COc1ccc(C[N@@H+](C)Cc2cnn(Cc3ccccc3)c2)cc1Br ZINC000016430374 558791171 /nfs/dbraw/zinc/79/11/71/558791171.db2.gz KVNQVNCEDLWLOF-UHFFFAOYSA-N 1 1 400.320 4.335 50 0 HIAAMO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000017082890 558815173 /nfs/dbraw/zinc/81/51/73/558815173.db2.gz SEYBEKYVDQHVJC-OKILXGFUSA-N 1 1 404.507 4.257 50 0 HIAAMO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000017082890 558815175 /nfs/dbraw/zinc/81/51/75/558815175.db2.gz SEYBEKYVDQHVJC-OKILXGFUSA-N 1 1 404.507 4.257 50 0 HIAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cc1C ZINC000018271098 558835261 /nfs/dbraw/zinc/83/52/61/558835261.db2.gz FLHDNJGEUVKNGX-UHFFFAOYSA-N 1 1 415.946 4.016 50 0 HIAAMO COc1cc(OC)c(OC)cc1CN(C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019300526 558866456 /nfs/dbraw/zinc/86/64/56/558866456.db2.gz QQHFJQFUKURFTK-QFIPXVFZSA-N 1 1 412.574 4.241 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100156 558872632 /nfs/dbraw/zinc/87/26/32/558872632.db2.gz WYBXFRSISJFJKN-OAQYLSRUSA-N 1 1 400.538 4.229 50 0 HIAAMO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055182668 558875010 /nfs/dbraw/zinc/87/50/10/558875010.db2.gz WGTOKSTYOXVGFL-DEOSSOPVSA-N 1 1 423.601 4.430 50 0 HIAAMO CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055182668 558875012 /nfs/dbraw/zinc/87/50/12/558875012.db2.gz WGTOKSTYOXVGFL-DEOSSOPVSA-N 1 1 423.601 4.430 50 0 HIAAMO CC[N@H+](Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21)Cc1ccncc1 ZINC000055359383 558880196 /nfs/dbraw/zinc/88/01/96/558880196.db2.gz KFKLTJUDZFAYCN-UHFFFAOYSA-N 1 1 405.546 4.076 50 0 HIAAMO CC[N@@H+](Cc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn21)Cc1ccncc1 ZINC000055359383 558880197 /nfs/dbraw/zinc/88/01/97/558880197.db2.gz KFKLTJUDZFAYCN-UHFFFAOYSA-N 1 1 405.546 4.076 50 0 HIAAMO CCCO[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000055383201 558880550 /nfs/dbraw/zinc/88/05/50/558880550.db2.gz PFNMXYHJLQBVLN-GOSISDBHSA-N 1 1 418.607 4.193 50 0 HIAAMO CCCO[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000055383201 558880553 /nfs/dbraw/zinc/88/05/53/558880553.db2.gz PFNMXYHJLQBVLN-GOSISDBHSA-N 1 1 418.607 4.193 50 0 HIAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccnc1 ZINC000055529193 558881825 /nfs/dbraw/zinc/88/18/25/558881825.db2.gz QDGVNDMDEAOEBM-UHFFFAOYSA-N 1 1 406.917 4.310 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@](O)(c1ccco1)C(F)(F)F ZINC000057997271 558893782 /nfs/dbraw/zinc/89/37/82/558893782.db2.gz SXMWZEAPKSSKDA-IIBYNOLFSA-N 1 1 424.463 4.110 50 0 HIAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000004689286 558899368 /nfs/dbraw/zinc/89/93/68/558899368.db2.gz RYKZIJDNXVDKHS-RHSMWYFYSA-N 1 1 422.451 4.047 50 0 HIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000058173598 558908825 /nfs/dbraw/zinc/90/88/25/558908825.db2.gz BPZCQEMEDMDPMS-NRFANRHFSA-N 1 1 423.929 4.300 50 0 HIAAMO C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000019540224 558914182 /nfs/dbraw/zinc/91/41/82/558914182.db2.gz RWAVDHJCDQVHSP-FQEVSTJZSA-N 1 1 419.594 4.160 50 0 HIAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000058307509 558918440 /nfs/dbraw/zinc/91/84/40/558918440.db2.gz QFAXLRDUNDYSPR-UHFFFAOYSA-N 1 1 405.502 4.487 50 0 HIAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000019637755 558947389 /nfs/dbraw/zinc/94/73/89/558947389.db2.gz WKHLIIHWSNWVII-QFIPXVFZSA-N 1 1 404.533 4.161 50 0 HIAAMO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072410548 558977805 /nfs/dbraw/zinc/97/78/05/558977805.db2.gz VPAJFZNNUAZGJU-FQEVSTJZSA-N 1 1 405.498 4.495 50 0 HIAAMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072410548 558977807 /nfs/dbraw/zinc/97/78/07/558977807.db2.gz VPAJFZNNUAZGJU-FQEVSTJZSA-N 1 1 405.498 4.495 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)[C@H]2CCN(C)C2)cc1OC ZINC000072428229 558979104 /nfs/dbraw/zinc/97/91/04/558979104.db2.gz BVUIFIDEHJZEQR-NRFANRHFSA-N 1 1 405.542 4.363 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@H]2CC[N@H+](C)C2)cc1OC ZINC000072428229 558979105 /nfs/dbraw/zinc/97/91/05/558979105.db2.gz BVUIFIDEHJZEQR-NRFANRHFSA-N 1 1 405.542 4.363 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000072428229 558979107 /nfs/dbraw/zinc/97/91/07/558979107.db2.gz BVUIFIDEHJZEQR-NRFANRHFSA-N 1 1 405.542 4.363 50 0 HIAAMO C[C@@H]1CN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC[N@H+]1C ZINC000072453565 558982870 /nfs/dbraw/zinc/98/28/70/558982870.db2.gz ISKUQQUIRCNTKA-OAHLLOKOSA-N 1 1 409.917 4.420 50 0 HIAAMO C[C@@H]1C[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CCN1C ZINC000072453565 558982877 /nfs/dbraw/zinc/98/28/77/558982877.db2.gz ISKUQQUIRCNTKA-OAHLLOKOSA-N 1 1 409.917 4.420 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@@H]2CCO)cc1F ZINC000072463114 558983175 /nfs/dbraw/zinc/98/31/75/558983175.db2.gz FLPQFXLIZIMIOW-HXUWFJFHSA-N 1 1 409.505 4.342 50 0 HIAAMO Cc1c(Cl)cccc1NC(=S)N[C@H](C)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031358 558985471 /nfs/dbraw/zinc/98/54/71/558985471.db2.gz XZTFFADPXVZPGM-DYESRHJHSA-N 1 1 417.022 4.312 50 0 HIAAMO C[C@@H](c1cccnc1)N(C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067920433 558994692 /nfs/dbraw/zinc/99/46/92/558994692.db2.gz YMJUMDIAQOAUGL-IBGZPJMESA-N 1 1 418.541 4.358 50 0 HIAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(COCC(F)(F)F)cc1)c1ccccc1Cl ZINC000022620003 559017831 /nfs/dbraw/zinc/01/78/31/559017831.db2.gz COWYVWRHYFBLDB-SFHVURJKSA-N 1 1 414.855 4.452 50 0 HIAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000011343376 559057508 /nfs/dbraw/zinc/05/75/08/559057508.db2.gz LVQGJEPHMUDWSP-INIZCTEOSA-N 1 1 418.522 4.201 50 0 HIAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000011343376 559057510 /nfs/dbraw/zinc/05/75/10/559057510.db2.gz LVQGJEPHMUDWSP-INIZCTEOSA-N 1 1 418.522 4.201 50 0 HIAAMO Cc1cc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)on1 ZINC000095502634 559082647 /nfs/dbraw/zinc/08/26/47/559082647.db2.gz HBHAXFXWADODLQ-NRFANRHFSA-N 1 1 401.526 4.015 50 0 HIAAMO Cc1cc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)on1 ZINC000095502634 559082648 /nfs/dbraw/zinc/08/26/48/559082648.db2.gz HBHAXFXWADODLQ-NRFANRHFSA-N 1 1 401.526 4.015 50 0 HIAAMO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957632 559087434 /nfs/dbraw/zinc/08/74/34/559087434.db2.gz KVBFPHMJXQRWSE-LIRRHRJNSA-N 1 1 417.412 4.294 50 0 HIAAMO Cc1cc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3O)CC2)c(C(C)C)cc1Cl ZINC000023387043 559173792 /nfs/dbraw/zinc/17/37/92/559173792.db2.gz GYXYDQOARQXPHT-SFHVURJKSA-N 1 1 418.965 4.039 50 0 HIAAMO CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000004872928 559194718 /nfs/dbraw/zinc/19/47/18/559194718.db2.gz PQZWZSQBGGMYCO-RYTOZCKSSA-N 1 1 407.643 4.114 50 0 HIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000004901499 559199872 /nfs/dbraw/zinc/19/98/72/559199872.db2.gz DMCSEYANCVHVBW-INIZCTEOSA-N 1 1 418.006 4.460 50 0 HIAAMO CCn1c2ccccc2c2sc(C(=O)NCC[N@@H+](C)C3CCCCC3)cc2c1=O ZINC000004939257 559211701 /nfs/dbraw/zinc/21/17/01/559211701.db2.gz BMPDETMRWDPIGN-UHFFFAOYSA-N 1 1 411.571 4.230 50 0 HIAAMO CCCC[N@@H+](CC)CCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1 ZINC000005022594 559230564 /nfs/dbraw/zinc/23/05/64/559230564.db2.gz WMLOTKXEGKCROL-UHFFFAOYSA-N 1 1 402.539 4.293 50 0 HIAAMO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2ccccc2)C[C@@H](O)COCC(C)C)C1 ZINC000104982751 560858768 /nfs/dbraw/zinc/85/87/68/560858768.db2.gz YRCHGKSTGZSKFU-DHIUTWEWSA-N 1 1 410.558 4.024 50 0 HIAAMO COc1cc(CNCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000047778198 568431327 /nfs/dbraw/zinc/43/13/27/568431327.db2.gz XLBCONRHQVJWON-KDURUIRLSA-N 1 1 412.574 4.480 50 0 HIAAMO COc1cc(CNCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000047778198 568431328 /nfs/dbraw/zinc/43/13/28/568431328.db2.gz XLBCONRHQVJWON-KDURUIRLSA-N 1 1 412.574 4.480 50 0 HIAAMO C[N@@H+](Cc1ccccc1NC(=O)CCS(=O)(=O)C1CCCC1)C1CCCCC1 ZINC000048157393 568432222 /nfs/dbraw/zinc/43/22/22/568432222.db2.gz XXPRJNBANADZHT-UHFFFAOYSA-N 1 1 406.592 4.137 50 0 HIAAMO COc1ccc(C[N@H+](Cc2nnnn2-c2ccccc2)[C@H](C)Cc2cccs2)cc1 ZINC000024892949 568478710 /nfs/dbraw/zinc/47/87/10/568478710.db2.gz RVXNVPFPFKCLLG-GOSISDBHSA-N 1 1 419.554 4.366 50 0 HIAAMO COc1ccc(C[N@@H+](Cc2nnnn2-c2ccccc2)[C@H](C)Cc2cccs2)cc1 ZINC000024892949 568478712 /nfs/dbraw/zinc/47/87/12/568478712.db2.gz RVXNVPFPFKCLLG-GOSISDBHSA-N 1 1 419.554 4.366 50 0 HIAAMO CC[N@@H+]1CCc2c(c(CN(CC3CC3)C(=O)C(C)(C)C)nn2-c2cccc(F)c2)C1 ZINC000037623433 568547292 /nfs/dbraw/zinc/54/72/92/568547292.db2.gz AMZDHDIGXSJVTI-UHFFFAOYSA-N 1 1 412.553 4.174 50 0 HIAAMO CC[N@H+]1CCc2c(c(CN(CC3CC3)C(=O)C(C)(C)C)nn2-c2cccc(F)c2)C1 ZINC000037623433 568547293 /nfs/dbraw/zinc/54/72/93/568547293.db2.gz AMZDHDIGXSJVTI-UHFFFAOYSA-N 1 1 412.553 4.174 50 0 HIAAMO COc1c2c(cc3c1[C@@H](n1ccc4cc(Br)ccc41)[N@H+](C)CC3)OCO2 ZINC000020112772 568588749 /nfs/dbraw/zinc/58/87/49/568588749.db2.gz GVVZFYQLOHTBCZ-HXUWFJFHSA-N 1 1 415.287 4.176 50 0 HIAAMO COc1c2c(cc3c1[C@@H](n1ccc4cc(Br)ccc41)[N@@H+](C)CC3)OCO2 ZINC000020112772 568588750 /nfs/dbraw/zinc/58/87/50/568588750.db2.gz GVVZFYQLOHTBCZ-HXUWFJFHSA-N 1 1 415.287 4.176 50 0 HIAAMO COc1ccccc1[C@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440692 568607586 /nfs/dbraw/zinc/60/75/86/568607586.db2.gz BCMGMJMTPLQBPI-AOYPEHQESA-N 1 1 403.522 4.047 50 0 HIAAMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(I)c(C)n2)cc1F ZINC000095455271 568616760 /nfs/dbraw/zinc/61/67/60/568616760.db2.gz MNGRIFGDCRFGJU-UHFFFAOYSA-N 1 1 422.245 4.240 50 0 HIAAMO O=C(c1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)N1CCCC[C@@H]1CCO ZINC000095457155 568618023 /nfs/dbraw/zinc/61/80/23/568618023.db2.gz OHEWWTSYTUCAFM-LOSJGSFVSA-N 1 1 421.585 4.140 50 0 HIAAMO CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020612433 568637531 /nfs/dbraw/zinc/63/75/31/568637531.db2.gz 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409.599 4.321 50 0 HIAAMO COc1cccc(C(=O)NC[C@@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)c1OC ZINC000022766013 525818874 /nfs/dbraw/zinc/81/88/74/525818874.db2.gz MBBJBQAWKQWZIX-NRFANRHFSA-N 1 1 422.550 4.295 50 0 HIAAMO COc1cccc(C(=O)NC[C@@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)c1OC ZINC000022766013 525818882 /nfs/dbraw/zinc/81/88/82/525818882.db2.gz MBBJBQAWKQWZIX-NRFANRHFSA-N 1 1 422.550 4.295 50 0 HIAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccn2)N2CC[NH+](C)CC2)c1C ZINC000020193521 526885051 /nfs/dbraw/zinc/88/50/51/526885051.db2.gz VHNZUBUMZUGJKU-JOCHJYFZSA-N 1 1 420.582 4.349 50 0 HIAAMO Cc1nc(CSCC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cs1 ZINC000032931183 526913153 /nfs/dbraw/zinc/91/31/53/526913153.db2.gz WLCMZRQJLLRIEN-INIZCTEOSA-N 1 1 403.617 4.233 50 0 HIAAMO Cc1nc2ccc(C(=O)N3CC[NH+](Cc4csc5ccccc45)CC3)cc2nc1C ZINC000032842536 527134416 /nfs/dbraw/zinc/13/44/16/527134416.db2.gz JFFNHEXOGJSDKM-UHFFFAOYSA-N 1 1 416.550 4.419 50 0 HIAAMO CC[C@H](C)CC(=O)N1CC[NH+](Cc2ccc(-c3noc(C4CCCC4)n3)cc2)CC1 ZINC000022627032 557108770 /nfs/dbraw/zinc/10/87/70/557108770.db2.gz LTKXEUXYQRONNL-SFHVURJKSA-N 1 1 410.562 4.475 50 0 HIAAMO c1coc(-c2noc(C[NH+]3CCC4(C[C@@H]4c4nnc(-c5ccccc5)o4)CC3)n2)c1 ZINC000071889690 557298018 /nfs/dbraw/zinc/29/80/18/557298018.db2.gz ISVNRRFWISDOCT-MRXNPFEDSA-N 1 1 403.442 4.149 50 0 HIAAMO CC[N@H+]1CCc2ccc(OCC(=O)NCc3ccccc3)cc2[C@H]1c1ccccc1 ZINC000034667412 557361064 /nfs/dbraw/zinc/36/10/64/557361064.db2.gz LILDPIDCFWXUFF-AREMUKBSSA-N 1 1 400.522 4.349 50 0 HIAAMO O=C(NCc1ccccc1F)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000034668393 557362051 /nfs/dbraw/zinc/36/20/51/557362051.db2.gz ACXQYFOKXJMRFW-UHFFFAOYSA-N 1 1 421.491 4.217 50 0 HIAAMO Cc1cccc(N(C2CC[NH+](Cc3ccco3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000034680508 557382210 /nfs/dbraw/zinc/38/22/10/557382210.db2.gz UUJDKWMOJRTVEM-UHFFFAOYSA-N 1 1 410.539 4.448 50 0 HIAAMO CC(C)(C)NC(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)nc1 ZINC000034682083 557383954 /nfs/dbraw/zinc/38/39/54/557383954.db2.gz NFMDCJKRBZEFDR-UHFFFAOYSA-N 1 1 415.969 4.367 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc(I)c1O ZINC000004988976 557621848 /nfs/dbraw/zinc/62/18/48/557621848.db2.gz JZAASMHKFMEDIL-HIFRSBDPSA-N 1 1 401.288 4.160 50 0 HIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000005274702 557643149 /nfs/dbraw/zinc/64/31/49/557643149.db2.gz XIXPDNXVGNKHLQ-FQEVSTJZSA-N 1 1 419.506 4.384 50 0 HIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 ZINC000005274702 557643151 /nfs/dbraw/zinc/64/31/51/557643151.db2.gz XIXPDNXVGNKHLQ-FQEVSTJZSA-N 1 1 419.506 4.384 50 0 HIAAMO COc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000005671286 557667962 /nfs/dbraw/zinc/66/79/62/557667962.db2.gz KVCGGWDMMHNQQC-BJKOFHAPSA-N 1 1 408.461 4.499 50 0 HIAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)c1 ZINC000002707345 557744297 /nfs/dbraw/zinc/74/42/97/557744297.db2.gz MZMHOOYTRLOARK-RPWUZVMVSA-N 1 1 408.461 4.499 50 0 HIAAMO OCCOCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 ZINC000002715007 557750018 /nfs/dbraw/zinc/75/00/18/557750018.db2.gz YBGGBYPTRDASNJ-UHFFFAOYSA-N 1 1 408.889 4.162 50 0 HIAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000011664848 558268511 /nfs/dbraw/zinc/26/85/11/558268511.db2.gz JBYGPFKDNUBPII-IBGZPJMESA-N 1 1 416.997 4.288 50 0 HIAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)n[nH]1 ZINC000011664848 558268514 /nfs/dbraw/zinc/26/85/14/558268514.db2.gz JBYGPFKDNUBPII-IBGZPJMESA-N 1 1 416.997 4.288 50 0 HIAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)n[nH]1 ZINC000011664848 558268517 /nfs/dbraw/zinc/26/85/17/558268517.db2.gz JBYGPFKDNUBPII-IBGZPJMESA-N 1 1 416.997 4.288 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@H](CO)C2)cc1F ZINC000011705678 558270766 /nfs/dbraw/zinc/27/07/66/558270766.db2.gz UBMVCJHPPFJHIB-SFHVURJKSA-N 1 1 409.505 4.200 50 0 HIAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000011753484 558272191 /nfs/dbraw/zinc/27/21/91/558272191.db2.gz QJVDEYDRUXNNGO-QGZVFWFLSA-N 1 1 424.570 4.009 50 0 HIAAMO COc1cc(OC)cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019758955 558275483 /nfs/dbraw/zinc/27/54/83/558275483.db2.gz IVQBLEYKUDUOIN-UHFFFAOYSA-N 1 1 416.521 4.251 50 0 HIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000011813173 558278039 /nfs/dbraw/zinc/27/80/39/558278039.db2.gz OPGNGCLNQNMVIO-NRFANRHFSA-N 1 1 424.541 4.364 50 0 HIAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccccn4)CC3)C2)c1 ZINC000011844484 558289335 /nfs/dbraw/zinc/28/93/35/558289335.db2.gz MLVJVBPVGNBVNB-JOCHJYFZSA-N 1 1 421.585 4.428 50 0 HIAAMO CCOc1cc(C[NH+]2CCN(Cc3ccc(Br)cc3)CC2)ccc1OC ZINC000019831782 558291781 /nfs/dbraw/zinc/29/17/81/558291781.db2.gz QKGGQVPGCWYANJ-UHFFFAOYSA-N 1 1 419.363 4.174 50 0 HIAAMO O=C(C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000019840109 558293734 /nfs/dbraw/zinc/29/37/34/558293734.db2.gz VNZGTQKVWXNTMJ-JOCHJYFZSA-N 1 1 419.569 4.338 50 0 HIAAMO Cc1cccn2c(C[N@H+]3CC[C@H](c4ccccc4F)C3)c(C(=O)N3CCCCC3)nc12 ZINC000019840039 558293758 /nfs/dbraw/zinc/29/37/58/558293758.db2.gz YUAZWQGMDHLMJJ-IBGZPJMESA-N 1 1 420.532 4.397 50 0 HIAAMO CC(C)=CC[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011910852 558296677 /nfs/dbraw/zinc/29/66/77/558296677.db2.gz LVHPXAHTECTCIK-QFIPXVFZSA-N 1 1 423.605 4.236 50 0 HIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccc(C)s1 ZINC000012090663 558324016 /nfs/dbraw/zinc/32/40/16/558324016.db2.gz UTWGJIZTKRZUBK-FQEVSTJZSA-N 1 1 400.588 4.482 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1 ZINC000012112216 558326665 /nfs/dbraw/zinc/32/66/65/558326665.db2.gz ZYDMYQAFPVQPPO-SFHVURJKSA-N 1 1 416.949 4.451 50 0 HIAAMO O=C(c1noc2c1CCCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020137745 558338008 /nfs/dbraw/zinc/33/80/08/558338008.db2.gz XFFSLLKMZDCGHU-UHFFFAOYSA-N 1 1 401.510 4.101 50 0 HIAAMO O=C(NCCCOc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1)[C@H]1CCCO1 ZINC000012149830 558338509 /nfs/dbraw/zinc/33/85/09/558338509.db2.gz HFDJGLBSFMFEEA-RUZDIDTESA-N 1 1 420.553 4.040 50 0 HIAAMO c1ccc(CC[N@H+]2CCC[C@@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211743 558347799 /nfs/dbraw/zinc/34/77/99/558347799.db2.gz BHVJAZKNZTXMOM-RUZDIDTESA-N 1 1 402.542 4.267 50 0 HIAAMO CCn1ccnc1C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000012195362 558349416 /nfs/dbraw/zinc/34/94/16/558349416.db2.gz OZMATVJWVIWYFT-FQEVSTJZSA-N 1 1 418.541 4.429 50 0 HIAAMO CCn1ccnc1C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000012195362 558349418 /nfs/dbraw/zinc/34/94/18/558349418.db2.gz OZMATVJWVIWYFT-FQEVSTJZSA-N 1 1 418.541 4.429 50 0 HIAAMO CN(C)c1ncc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012301581 558371132 /nfs/dbraw/zinc/37/11/32/558371132.db2.gz KMDCRQINTXNQGX-GOSISDBHSA-N 1 1 407.027 4.249 50 0 HIAAMO Cc1cc(C)c(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)c(-n2cccn2)c1 ZINC000012443635 558413011 /nfs/dbraw/zinc/41/30/11/558413011.db2.gz BDEVBPUITMMABV-HXUWFJFHSA-N 1 1 420.532 4.270 50 0 HIAAMO CN(Cc1ccco1)Cc1cc2cc3c(cc2n(CC[NH+]2CCCCC2)c1=O)CCC3 ZINC000012457124 558417517 /nfs/dbraw/zinc/41/75/17/558417517.db2.gz KKRDAENCJLAMCC-UHFFFAOYSA-N 1 1 419.569 4.201 50 0 HIAAMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874772 558418788 /nfs/dbraw/zinc/41/87/88/558418788.db2.gz WKDZWRLZDBRSSW-UHFFFAOYSA-N 1 1 421.379 4.386 50 0 HIAAMO OCC[C@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1CC1CCCCC1 ZINC000020907551 558421326 /nfs/dbraw/zinc/42/13/26/558421326.db2.gz WUJRPENQKYFDGH-QFIPXVFZSA-N 1 1 404.982 4.065 50 0 HIAAMO CCN1C[C@H](C[N@@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1=O ZINC000012469472 558421521 /nfs/dbraw/zinc/42/15/21/558421521.db2.gz DSYZWFLJFPZTBF-NRFANRHFSA-N 1 1 416.569 4.456 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)CCc1ccc(F)c(F)c1 ZINC000012570572 558428826 /nfs/dbraw/zinc/42/88/26/558428826.db2.gz WFKAXZLBRWQXDU-IBGZPJMESA-N 1 1 418.503 4.450 50 0 HIAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012595274 558437459 /nfs/dbraw/zinc/43/74/59/558437459.db2.gz UZDDLQFOEXOJAP-VWLOTQADSA-N 1 1 424.541 4.259 50 0 HIAAMO CCOc1cccc(CN(CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012711603 558452650 /nfs/dbraw/zinc/45/26/50/558452650.db2.gz WEVGBHZELZUWHP-HSZRJFAPSA-N 1 1 422.613 4.413 50 0 HIAAMO CCOC(=O)[C@]1(CCc2ccccc2)CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012711736 558452996 /nfs/dbraw/zinc/45/29/96/558452996.db2.gz DMEYKEZVQBHHIS-VWLOTQADSA-N 1 1 418.541 4.045 50 0 HIAAMO CCn1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)cn1 ZINC000012746444 558458377 /nfs/dbraw/zinc/45/83/77/558458377.db2.gz HVKOIJIACVOFBB-IBGZPJMESA-N 1 1 408.512 4.308 50 0 HIAAMO Oc1ccc(C[NH+]2CCN(Cc3ccc(Br)s3)CC2)c2cccnc12 ZINC000022809151 558514053 /nfs/dbraw/zinc/51/40/53/558514053.db2.gz IGQDXULFXLMQOU-UHFFFAOYSA-N 1 1 418.360 4.082 50 0 HIAAMO C[NH+]1CCN(CN2C(=O)/C(=C\c3ccc(Cl)cc3)c3ccc(Cl)cc32)CC1 ZINC000022934504 558525808 /nfs/dbraw/zinc/52/58/08/558525808.db2.gz CSWBXHDSIWEATF-UNOMPAQXSA-N 1 1 402.325 4.086 50 0 HIAAMO C[C@]1(c2cccc3ccccc32)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023908192 558581102 /nfs/dbraw/zinc/58/11/02/558581102.db2.gz DYMXVEUMUPVQSA-AUSIDOKSSA-N 1 1 405.523 4.463 50 0 HIAAMO C[C@]1(c2cccc3ccccc32)NC(=O)N(C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023908192 558581104 /nfs/dbraw/zinc/58/11/04/558581104.db2.gz DYMXVEUMUPVQSA-AUSIDOKSSA-N 1 1 405.523 4.463 50 0 HIAAMO C[NH+](C)[C@H](CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1cccc(F)c1 ZINC000024758890 558610766 /nfs/dbraw/zinc/61/07/66/558610766.db2.gz SRKDTCFQBHMNJZ-JOCHJYFZSA-N 1 1 408.448 4.229 50 0 HIAAMO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc(OCC)c1OCC ZINC000014188283 558631901 /nfs/dbraw/zinc/63/19/01/558631901.db2.gz NWDOCYQMPRTGRM-FQEVSTJZSA-N 1 1 412.530 4.012 50 0 HIAAMO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(OCC)c1OCC ZINC000014188283 558631902 /nfs/dbraw/zinc/63/19/02/558631902.db2.gz NWDOCYQMPRTGRM-FQEVSTJZSA-N 1 1 412.530 4.012 50 0 HIAAMO CC(C)CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014534500 558657582 /nfs/dbraw/zinc/65/75/82/558657582.db2.gz BEFLACXYBFMEAF-WIOPSUGQSA-N 1 1 420.597 4.465 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000014954868 558682035 /nfs/dbraw/zinc/68/20/35/558682035.db2.gz CMXPLLKRJSRDNL-IBGZPJMESA-N 1 1 422.548 4.461 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000014954868 558682047 /nfs/dbraw/zinc/68/20/47/558682047.db2.gz CMXPLLKRJSRDNL-IBGZPJMESA-N 1 1 422.548 4.461 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000014954868 558682050 /nfs/dbraw/zinc/68/20/50/558682050.db2.gz CMXPLLKRJSRDNL-IBGZPJMESA-N 1 1 422.548 4.461 50 0 HIAAMO Fc1ccccc1-c1ccc(C[NH+]2CCN(Cc3nnsc3Cl)CC2)s1 ZINC000027905392 558684355 /nfs/dbraw/zinc/68/43/55/558684355.db2.gz SZXJTFXTOZHQBJ-UHFFFAOYSA-N 1 1 408.955 4.377 50 0 HIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1)c1cccc2ccccc21 ZINC000014975036 558688960 /nfs/dbraw/zinc/68/89/60/558688960.db2.gz IREOIFBXDWDDOB-HXUWFJFHSA-N 1 1 400.522 4.417 50 0 HIAAMO Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)oc2c1 ZINC000028293453 558698452 /nfs/dbraw/zinc/69/84/52/558698452.db2.gz MUQOXMHPFLYTAV-QGZVFWFLSA-N 1 1 410.539 4.428 50 0 HIAAMO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000015063887 558706538 /nfs/dbraw/zinc/70/65/38/558706538.db2.gz YUGDNLDRJVRAPJ-IBGZPJMESA-N 1 1 411.546 4.122 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1 ZINC000015064120 558706683 /nfs/dbraw/zinc/70/66/83/558706683.db2.gz HPCIHNJDJOCECV-NRFANRHFSA-N 1 1 422.569 4.071 50 0 HIAAMO COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000029384796 558714605 /nfs/dbraw/zinc/71/46/05/558714605.db2.gz IXOZILRITQKLJW-UHFFFAOYSA-N 1 1 416.543 4.039 50 0 HIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000015107178 558723283 /nfs/dbraw/zinc/72/32/83/558723283.db2.gz PIVDIKKSTPKCDY-WMZOPIPTSA-N 1 1 406.555 4.252 50 0 HIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000030015452 558726183 /nfs/dbraw/zinc/72/61/83/558726183.db2.gz MWQAPWFNKRFXEI-UHFFFAOYSA-N 1 1 412.961 4.300 50 0 HIAAMO CCOc1ccc(CCNC(=O)C[N@@H+](C)[C@@H]2CCCc3ccccc32)cc1OCC ZINC000015261681 558729964 /nfs/dbraw/zinc/72/99/64/558729964.db2.gz HSWSKPZINSWVSP-JOCHJYFZSA-N 1 1 410.558 4.152 50 0 HIAAMO CN(C(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 ZINC000015369837 558736321 /nfs/dbraw/zinc/73/63/21/558736321.db2.gz MEXWXBHSRXRVJV-UHFFFAOYSA-N 1 1 402.494 4.095 50 0 HIAAMO CN(C(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 ZINC000015369837 558736322 /nfs/dbraw/zinc/73/63/22/558736322.db2.gz MEXWXBHSRXRVJV-UHFFFAOYSA-N 1 1 402.494 4.095 50 0 HIAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015524187 558742390 /nfs/dbraw/zinc/74/23/90/558742390.db2.gz QCMLYVPAJWCTJB-OAHLLOKOSA-N 1 1 416.447 4.365 50 0 HIAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015524187 558742392 /nfs/dbraw/zinc/74/23/92/558742392.db2.gz QCMLYVPAJWCTJB-OAHLLOKOSA-N 1 1 416.447 4.365 50 0 HIAAMO CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000015860435 558758102 /nfs/dbraw/zinc/75/81/02/558758102.db2.gz SBAOGBRSHKMNLF-LJQANCHMSA-N 1 1 408.498 4.214 50 0 HIAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[NH+]2CCCCC2)o1 ZINC000015860434 558758126 /nfs/dbraw/zinc/75/81/26/558758126.db2.gz VXPMFDQOKNHOHC-IBGZPJMESA-N 1 1 408.498 4.268 50 0 HIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCCC2)o1 ZINC000015860423 558758182 /nfs/dbraw/zinc/75/81/82/558758182.db2.gz AOHOXHSCFVAAJK-QGZVFWFLSA-N 1 1 414.889 4.305 50 0 HIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OC)N3)C1 ZINC000015947398 558763715 /nfs/dbraw/zinc/76/37/15/558763715.db2.gz BEACJNWQYUWGBV-INIZCTEOSA-N 1 1 422.348 4.326 50 0 HIAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C ZINC000016694770 558800641 /nfs/dbraw/zinc/80/06/41/558800641.db2.gz XDKKJOVSQQHPNL-FQEVSTJZSA-N 1 1 407.514 4.238 50 0 HIAAMO COc1ccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1Br ZINC000016695030 558800813 /nfs/dbraw/zinc/80/08/13/558800813.db2.gz QOZBFYCDIITBEO-NWDGAFQWSA-N 1 1 402.292 4.106 50 0 HIAAMO CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)C[C@@H]1C ZINC000072313647 558840759 /nfs/dbraw/zinc/84/07/59/558840759.db2.gz PTPCKBINVHXRKO-LJNDWVFPSA-N 1 1 413.587 4.331 50 0 HIAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1ccccn1 ZINC000055060520 558871073 /nfs/dbraw/zinc/87/10/73/558871073.db2.gz FOSKFEICUOXAID-UHFFFAOYSA-N 1 1 412.493 4.354 50 0 HIAAMO C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1ccccn1 ZINC000055060520 558871076 /nfs/dbraw/zinc/87/10/76/558871076.db2.gz FOSKFEICUOXAID-UHFFFAOYSA-N 1 1 412.493 4.354 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000060426032 558872814 /nfs/dbraw/zinc/87/28/14/558872814.db2.gz RERRNOKZDXSUQJ-CQSZACIVSA-N 1 1 407.436 4.110 50 0 HIAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000019360089 558876093 /nfs/dbraw/zinc/87/60/93/558876093.db2.gz ANKIBSSXGRNMRX-HSZRJFAPSA-N 1 1 413.565 4.016 50 0 HIAAMO CSc1ccc(N2CC[NH+](CCNC(=O)Nc3cccc(Cl)c3)CC2)cc1 ZINC000055549811 558882282 /nfs/dbraw/zinc/88/22/82/558882282.db2.gz LGMMZYPDEIOUJN-UHFFFAOYSA-N 1 1 404.967 4.006 50 0 HIAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000057945320 558891653 /nfs/dbraw/zinc/89/16/53/558891653.db2.gz IOZSVHJNWUYIRU-CYFREDJKSA-N 1 1 418.493 4.195 50 0 HIAAMO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000058161173 558905460 /nfs/dbraw/zinc/90/54/60/558905460.db2.gz YCQRIVCYGITNLI-CQSZACIVSA-N 1 1 408.329 4.119 50 0 HIAAMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000004700167 558907807 /nfs/dbraw/zinc/90/78/07/558907807.db2.gz YDZKKIFOKWVFNZ-UHFFFAOYSA-N 1 1 401.348 4.286 50 0 HIAAMO Cc1cc(=O)oc2cc(NC(=O)NC[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)ccc12 ZINC000058174598 558908935 /nfs/dbraw/zinc/90/89/35/558908935.db2.gz VTOMCFAXSOSBDN-IBGZPJMESA-N 1 1 405.498 4.135 50 0 HIAAMO CCOC(=O)c1c(C)c2ccccc2nc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000019540294 558914178 /nfs/dbraw/zinc/91/41/78/558914178.db2.gz TYGVAIPDGJWGEX-UHFFFAOYSA-N 1 1 409.555 4.099 50 0 HIAAMO CN(C)[C@H]1CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072419124 558978228 /nfs/dbraw/zinc/97/82/28/558978228.db2.gz YKLKPPHEFAXEGA-IBGZPJMESA-N 1 1 409.917 4.420 50 0 HIAAMO CN(C)[C@H]1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072419124 558978229 /nfs/dbraw/zinc/97/82/29/558978229.db2.gz YKLKPPHEFAXEGA-IBGZPJMESA-N 1 1 409.917 4.420 50 0 HIAAMO CC(C)NC(=O)CC[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067758336 558992461 /nfs/dbraw/zinc/99/24/61/558992461.db2.gz YLLBZBIUUWHAKH-UHFFFAOYSA-N 1 1 403.526 4.128 50 0 HIAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3c(-c4ccc(OC)cc4)csc3n2)cc1 ZINC000033268790 558992977 /nfs/dbraw/zinc/99/29/77/558992977.db2.gz RDHBSROUJYAGNY-UHFFFAOYSA-N 1 1 421.522 4.072 50 0 HIAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3c(-c4ccc(OC)cc4)csc3n2)cc1 ZINC000033268790 558992978 /nfs/dbraw/zinc/99/29/78/558992978.db2.gz RDHBSROUJYAGNY-UHFFFAOYSA-N 1 1 421.522 4.072 50 0 HIAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)nc1 ZINC000095504323 559082907 /nfs/dbraw/zinc/08/29/07/559082907.db2.gz XNAUAIVXNZKTLM-SFHVURJKSA-N 1 1 401.501 4.231 50 0 HIAAMO Cc1ccc(NC(=O)COc2cccc(C[NH2+]Cc3nc4ccccc4[nH]3)c2)cc1 ZINC000113399625 559180681 /nfs/dbraw/zinc/18/06/81/559180681.db2.gz KYNIGNBZYKEVGI-UHFFFAOYSA-N 1 1 400.482 4.179 50 0 HIAAMO COc1ccc2nc3oc(C(=O)NCCC[N@H+]4CCc5ccccc5C4)cc3cc2c1 ZINC000004907771 559201042 /nfs/dbraw/zinc/20/10/42/559201042.db2.gz SSOVKPGWOYGVIP-UHFFFAOYSA-N 1 1 415.493 4.168 50 0 HIAAMO COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(OC)c1 ZINC000408518254 559213471 /nfs/dbraw/zinc/21/34/71/559213471.db2.gz XYAKTNPSOVVAQW-URXFXBBRSA-N 1 1 422.569 4.322 50 0 HIAAMO C[N@@H+](CCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2)C1CCCCC1 ZINC000005132342 559249546 /nfs/dbraw/zinc/24/95/46/559249546.db2.gz PBNBCZRBLOEQFX-UHFFFAOYSA-N 1 1 409.555 4.398 50 0 HIAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000248248377 559269246 /nfs/dbraw/zinc/26/92/46/559269246.db2.gz NQCIRBLFTLMGGH-ZCYQVOJMSA-N 1 1 423.601 4.446 50 0 HIAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000005256889 560550781 /nfs/dbraw/zinc/55/07/81/560550781.db2.gz OHEKWLINBPHQIF-CQSZACIVSA-N 1 1 409.511 4.232 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1 ZINC000003233842 560590255 /nfs/dbraw/zinc/59/02/55/560590255.db2.gz DKAFXLDTDDESRE-KRWDZBQOSA-N 1 1 407.514 4.028 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1 ZINC000003233842 560590257 /nfs/dbraw/zinc/59/02/57/560590257.db2.gz DKAFXLDTDDESRE-KRWDZBQOSA-N 1 1 407.514 4.028 50 0 HIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)ccc1O ZINC000102948026 560835825 /nfs/dbraw/zinc/83/58/25/560835825.db2.gz OOBKXEZQNMWNQR-ZPZUNKDASA-N 1 1 424.541 4.016 50 0 biogenic,in-vitro HIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)ccc1O ZINC000102948026 560835826 /nfs/dbraw/zinc/83/58/26/560835826.db2.gz OOBKXEZQNMWNQR-ZPZUNKDASA-N 1 1 424.541 4.016 50 0 biogenic,in-vitro HIAAMO COc1ccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000022907836 568416011 /nfs/dbraw/zinc/41/60/11/568416011.db2.gz PPWDDKCKEZUMCJ-HXUWFJFHSA-N 1 1 422.550 4.295 50 0 HIAAMO COc1ccc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000022907836 568416013 /nfs/dbraw/zinc/41/60/13/568416013.db2.gz PPWDDKCKEZUMCJ-HXUWFJFHSA-N 1 1 422.550 4.295 50 0 HIAAMO COc1ccc(CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907689 568416148 /nfs/dbraw/zinc/41/61/48/568416148.db2.gz AQPXIBCQFZCZCL-JOCHJYFZSA-N 1 1 406.551 4.215 50 0 HIAAMO COc1ccc(CC(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907689 568416149 /nfs/dbraw/zinc/41/61/49/568416149.db2.gz AQPXIBCQFZCZCL-JOCHJYFZSA-N 1 1 406.551 4.215 50 0 HIAAMO Cc1cc(C)c(C(=O)CCCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1 ZINC000048303174 568437918 /nfs/dbraw/zinc/43/79/18/568437918.db2.gz DISHKFFGXQPGHD-UHFFFAOYSA-N 1 1 422.569 4.113 50 0 HIAAMO CCOC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc1 ZINC000390829563 568492663 /nfs/dbraw/zinc/49/26/63/568492663.db2.gz ZTCUOFRRIABOEV-PABCKOPISA-N 1 1 423.557 4.290 50 0 HIAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000033015060 568510464 /nfs/dbraw/zinc/51/04/64/568510464.db2.gz XGXAWKQKLFEYCX-HSZRJFAPSA-N 1 1 419.521 4.057 50 0 HIAAMO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCOCC3)ccc2Sc2ccccc21 ZINC000020178834 568593027 /nfs/dbraw/zinc/59/30/27/568593027.db2.gz JKYMWBSYZCPGJK-UHFFFAOYSA-N 1 1 409.555 4.134 50 0 HIAAMO Cc1sc(NC(=O)c2ccccc2)c(C[NH+]2CCN(c3ccccn3)CC2)c1C ZINC000020193325 568593886 /nfs/dbraw/zinc/59/38/86/568593886.db2.gz TUCUDVYRUGCSJO-UHFFFAOYSA-N 1 1 406.555 4.334 50 0 HIAAMO O[C@@H](CSc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020385112 568603147 /nfs/dbraw/zinc/60/31/47/568603147.db2.gz XTUVYMZKCHTYMP-MRXNPFEDSA-N 1 1 414.468 4.120 50 0 HIAAMO CC(C)c1ccc(OCCC(=O)Nc2cccc(CC[NH+]3CCN(C)CC3)c2)cc1 ZINC000095457787 568618769 /nfs/dbraw/zinc/61/87/69/568618769.db2.gz RMCXZNKWXOWZPP-UHFFFAOYSA-N 1 1 409.574 4.008 50 0 HIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(OC)c2)C1 ZINC000020927430 568651609 /nfs/dbraw/zinc/65/16/09/568651609.db2.gz PVBASLICSKZMFQ-UHFFFAOYSA-N 1 1 410.543 4.247 50 0 HIAAMO COc1cccc(-c2noc(NCCC[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)n2)c1 ZINC000020996859 568657095 /nfs/dbraw/zinc/65/70/95/568657095.db2.gz TXLDKOZIDUVSAG-IBGZPJMESA-N 1 1 421.545 4.066 50 0 HIAAMO Cc1ccccc1-n1ncc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1C(F)(F)F ZINC000225736726 568669587 /nfs/dbraw/zinc/66/95/87/568669587.db2.gz UVQRWHRWFPOSGO-QGZVFWFLSA-N 1 1 408.468 4.050 50 0 HIAAMO COc1ccccc1[C@@](O)(c1ccc(F)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021523232 568708805 /nfs/dbraw/zinc/70/88/05/568708805.db2.gz MENOUBXBHIEPBM-AHWVRZQESA-N 1 1 421.512 4.186 50 0 HIAAMO CC[NH+]1CCN(C(=O)C[C@@H](CCc2ccccc2)c2cn(C)c3ccccc23)CC1 ZINC000096275811 568714815 /nfs/dbraw/zinc/71/48/15/568714815.db2.gz OVRPDEBEVCWPAT-JOCHJYFZSA-N 1 1 403.570 4.449 50 0 HIAAMO O=C(CCn1ccc2ccc(Br)cc21)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000229711482 568714885 /nfs/dbraw/zinc/71/48/85/568714885.db2.gz QQYGRJKCRMSBOA-MJGOQNOKSA-N 1 1 418.379 4.175 50 0 HIAAMO CCCN(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1 ZINC000247993505 568746847 /nfs/dbraw/zinc/74/68/47/568746847.db2.gz MBYQOXSKJIBCLJ-UHFFFAOYSA-N 1 1 408.521 4.245 50 0 HIAAMO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F ZINC000015030649 568747054 /nfs/dbraw/zinc/74/70/54/568747054.db2.gz BINVCOLBTBVRSE-HNNXBMFYSA-N 1 1 424.442 4.087 50 0 HIAAMO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1F ZINC000015030649 568747055 /nfs/dbraw/zinc/74/70/55/568747055.db2.gz BINVCOLBTBVRSE-HNNXBMFYSA-N 1 1 424.442 4.087 50 0 HIAAMO Cn1c(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)nc2ccccc21 ZINC000248099623 568747519 /nfs/dbraw/zinc/74/75/19/568747519.db2.gz ZXWBVRASBOSIGV-UHFFFAOYSA-N 1 1 400.885 4.217 50 0 HIAAMO Cc1ccccc1Cn1nc(C[NH2+]Cc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 ZINC000248129370 568747673 /nfs/dbraw/zinc/74/76/73/568747673.db2.gz AEYUOIRLKPKQMS-UHFFFAOYSA-N 1 1 412.493 4.320 50 0 HIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)NCCc3ccc(Cl)cc3)C2)nc2ccccc21 ZINC000249682301 568748586 /nfs/dbraw/zinc/74/85/86/568748586.db2.gz CCKUIQRVVWNNKM-LJQANCHMSA-N 1 1 424.976 4.281 50 0 HIAAMO Cc1nc2scc(-c3ccccc3)c2c(N2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000055530494 568778479 /nfs/dbraw/zinc/77/84/79/568778479.db2.gz JSWNITWQNHJNFV-UHFFFAOYSA-N 1 1 401.539 4.384 50 0 HIAAMO O=C1CN(C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)C(=O)N1c1ccccc1 ZINC000225821958 568782730 /nfs/dbraw/zinc/78/27/30/568782730.db2.gz HIWSAHDMLFHSEM-UHFFFAOYSA-N 1 1 418.324 4.427 50 0 HIAAMO Cc1ccc([C@@H]([NH2+]CC(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000057296762 568826165 /nfs/dbraw/zinc/82/61/65/568826165.db2.gz UTEWUVAGHWBUHZ-SANMLTNESA-N 1 1 415.537 4.046 50 0 HIAAMO O=C(c1cccc2ncccc21)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000012527529 568843678 /nfs/dbraw/zinc/84/36/78/568843678.db2.gz PKOSRSXLVDDYCV-UHFFFAOYSA-N 1 1 402.885 4.399 50 0 HIAAMO Cc1ccc([C@@H](NCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547265 568852762 /nfs/dbraw/zinc/85/27/62/568852762.db2.gz HEDPYSADSXQTFP-VPUSJEBWSA-N 1 1 413.565 4.065 50 0 HIAAMO COC(=O)c1c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)sc2c1CCC2 ZINC000057911474 568867726 /nfs/dbraw/zinc/86/77/26/568867726.db2.gz NPUIESWDQYQIEK-UHFFFAOYSA-N 1 1 420.534 4.341 50 0 HIAAMO COc1ccc(NC(=O)CSc2nc(C[NH+](C)C)nc3ccccc32)cc1Cl ZINC000031619213 568928600 /nfs/dbraw/zinc/92/86/00/568928600.db2.gz YGMRDQWHBUJKOO-UHFFFAOYSA-N 1 1 416.934 4.084 50 0 HIAAMO COC(=O)c1c2c(sc1NC(=O)c1nc3ccccc3s1)C[N@H+](C(C)C)CC2 ZINC000004223571 568952542 /nfs/dbraw/zinc/95/25/42/568952542.db2.gz FHYOYVOOZQBUFS-UHFFFAOYSA-N 1 1 415.540 4.163 50 0 HIAAMO COC(=O)c1c2c(sc1NC(=O)c1nc3ccccc3s1)C[N@@H+](C(C)C)CC2 ZINC000004223571 568952544 /nfs/dbraw/zinc/95/25/44/568952544.db2.gz FHYOYVOOZQBUFS-UHFFFAOYSA-N 1 1 415.540 4.163 50 0 HIAAMO COc1ccc(NC(=O)c2ccc(C[N@@H+](C)Cc3ccc4c(c3)OCCO4)cc2)cc1 ZINC000012774397 568953572 /nfs/dbraw/zinc/95/35/72/568953572.db2.gz JWAGOLVDTSFMIK-UHFFFAOYSA-N 1 1 418.493 4.351 50 0 HIAAMO COc1cc(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000084686425 568955478 /nfs/dbraw/zinc/95/54/78/568955478.db2.gz CBVIZNFBKFTCPR-AEFFLSMTSA-N 1 1 418.484 4.327 50 0 HIAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000008261529 568985599 /nfs/dbraw/zinc/98/55/99/568985599.db2.gz WXWDNSFQAZMDED-WBVHZDCISA-N 1 1 423.538 4.082 50 0 HIAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000008261529 568985602 /nfs/dbraw/zinc/98/56/02/568985602.db2.gz WXWDNSFQAZMDED-WBVHZDCISA-N 1 1 423.538 4.082 50 0 HIAAMO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012866861 569012194 /nfs/dbraw/zinc/01/21/94/569012194.db2.gz FYDIBGWNXPEELU-QFIPXVFZSA-N 1 1 424.541 4.042 50 0 HIAAMO CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012866861 569012195 /nfs/dbraw/zinc/01/21/95/569012195.db2.gz FYDIBGWNXPEELU-QFIPXVFZSA-N 1 1 424.541 4.042 50 0 HIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000012915285 569022292 /nfs/dbraw/zinc/02/22/92/569022292.db2.gz TWCKZPPRENPQTJ-QFIPXVFZSA-N 1 1 412.486 4.366 50 0 HIAAMO CCOc1cc(C[N@H+](CC(=O)NCCc2cccs2)C2CC2)ccc1OC(F)F ZINC000016419356 569048183 /nfs/dbraw/zinc/04/81/83/569048183.db2.gz TZNPDFJUVCAUPA-UHFFFAOYSA-N 1 1 424.513 4.072 50 0 HIAAMO CCOc1cc(C[N@@H+](CC(=O)NCCc2cccs2)C2CC2)ccc1OC(F)F ZINC000016419356 569048184 /nfs/dbraw/zinc/04/81/84/569048184.db2.gz TZNPDFJUVCAUPA-UHFFFAOYSA-N 1 1 424.513 4.072 50 0 HIAAMO COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCCCC[C@H]2c2ccc(OC)cc2)c1 ZINC000013010579 569050097 /nfs/dbraw/zinc/05/00/97/569050097.db2.gz UBCJNJZFIPAYAA-QFIPXVFZSA-N 1 1 410.514 4.346 50 0 HIAAMO COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)c1 ZINC000013010579 569050098 /nfs/dbraw/zinc/05/00/98/569050098.db2.gz UBCJNJZFIPAYAA-QFIPXVFZSA-N 1 1 410.514 4.346 50 0 HIAAMO O=C(NCc1noc(C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)n1)c1ccccc1 ZINC000013023681 569051260 /nfs/dbraw/zinc/05/12/60/569051260.db2.gz FVTPLAWTHGTDAB-UHFFFAOYSA-N 1 1 422.504 4.474 50 0 HIAAMO O=C(NCc1noc(C[N@H+](Cc2ccc(F)cc2)C2CCCCC2)n1)c1ccccc1 ZINC000013023681 569051261 /nfs/dbraw/zinc/05/12/61/569051261.db2.gz FVTPLAWTHGTDAB-UHFFFAOYSA-N 1 1 422.504 4.474 50 0 HIAAMO COc1ccc(OCC[N@@H+](C)CC2CCN(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000089346367 569058661 /nfs/dbraw/zinc/05/86/61/569058661.db2.gz PVEWJWWIINFOAT-UHFFFAOYSA-N 1 1 415.509 4.089 50 0 HIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)CC(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000035800693 569060464 /nfs/dbraw/zinc/06/04/64/569060464.db2.gz AZSBVXMLEQLCNI-QFIPXVFZSA-N 1 1 410.558 4.274 50 0 HIAAMO COc1cc2c(cc1OC)[C@H](CNC(=O)CC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000035800693 569060465 /nfs/dbraw/zinc/06/04/65/569060465.db2.gz AZSBVXMLEQLCNI-QFIPXVFZSA-N 1 1 410.558 4.274 50 0 HIAAMO CC(C)[NH+]1CCN(C(=O)c2cncc(-c3cccc(NC(=O)C4CCCC4)c3)c2)CC1 ZINC000064757258 569090079 /nfs/dbraw/zinc/09/00/79/569090079.db2.gz UIUGOVSNNJAGFN-UHFFFAOYSA-N 1 1 420.557 4.044 50 0 HIAAMO Cc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccccc1 ZINC000036104597 569092608 /nfs/dbraw/zinc/09/26/08/569092608.db2.gz SAIRGQWXUIOTKJ-DEOSSOPVSA-N 1 1 419.521 4.304 50 0 HIAAMO CCn1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc2c1c1ccccc1oc2=O ZINC000064839082 569106459 /nfs/dbraw/zinc/10/64/59/569106459.db2.gz XRGZJZYPBKAFKX-UHFFFAOYSA-N 1 1 417.509 4.020 50 0 HIAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CCC(C)C)C[C@H](C)O)nc(=O)c23)c(C)c1 ZINC000036207975 569109832 /nfs/dbraw/zinc/10/98/32/569109832.db2.gz XZQYJPKNGNXHOJ-KRWDZBQOSA-N 1 1 413.587 4.497 50 0 HIAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CCC(C)C)C[C@H](C)O)nc(=O)c23)c(C)c1 ZINC000036207975 569109833 /nfs/dbraw/zinc/10/98/33/569109833.db2.gz XZQYJPKNGNXHOJ-KRWDZBQOSA-N 1 1 413.587 4.497 50 0 HIAAMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1OC ZINC000006790337 569124225 /nfs/dbraw/zinc/12/42/25/569124225.db2.gz IFTXFDOVSCKHCK-JOCHJYFZSA-N 1 1 407.510 4.243 50 0 HIAAMO CCC[C@@H](O)C[N@@H+](CCOC)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036301496 569127999 /nfs/dbraw/zinc/12/79/99/569127999.db2.gz SVFFDEIXIHYNPE-OAQYLSRUSA-N 1 1 423.557 4.489 50 0 HIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@H](C)O ZINC000036305557 569129464 /nfs/dbraw/zinc/12/94/64/569129464.db2.gz VLTOPQZICCZKLI-SFHVURJKSA-N 1 1 409.530 4.481 50 0 HIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H](O)COC ZINC000036308569 569129844 /nfs/dbraw/zinc/12/98/44/569129844.db2.gz FNSHNFRMEIONCF-OAQYLSRUSA-N 1 1 409.530 4.192 50 0 HIAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000036343339 569142803 /nfs/dbraw/zinc/14/28/03/569142803.db2.gz VHHOTAFBXIDPJK-MBSDFSHPSA-N 1 1 421.541 4.256 50 0 HIAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036346153 569143666 /nfs/dbraw/zinc/14/36/66/569143666.db2.gz VKQRXNDOKVGWEH-LJQANCHMSA-N 1 1 409.530 4.111 50 0 HIAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1)C[C@@H](C)O ZINC000036346153 569143667 /nfs/dbraw/zinc/14/36/67/569143667.db2.gz VKQRXNDOKVGWEH-LJQANCHMSA-N 1 1 409.530 4.111 50 0 HIAAMO COc1ccc(OC)c(NC(=O)N2CCC[C@@H](C[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000006877388 569164152 /nfs/dbraw/zinc/16/41/52/569164152.db2.gz WFLHNEZRPVAMFL-SFHVURJKSA-N 1 1 409.530 4.006 50 0 HIAAMO Cc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c1C ZINC000065184163 569191257 /nfs/dbraw/zinc/19/12/57/569191257.db2.gz 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COc1ccc(-c2n[nH]cc2CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)cc1 ZINC000019792650 558283431 /nfs/dbraw/zinc/28/34/31/558283431.db2.gz JVNIRXIZGJQQMJ-QHCPKHFHSA-N 1 1 404.558 4.224 50 0 HIAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cn1ncc2ccccc21 ZINC000011840502 558286729 /nfs/dbraw/zinc/28/67/29/558286729.db2.gz RRRUISDPFPENMR-HXUWFJFHSA-N 1 1 424.976 4.103 50 0 HIAAMO Cc1nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](CCCc4ccccc4)C3)cc2nc1C ZINC000011840746 558286736 /nfs/dbraw/zinc/28/67/36/558286736.db2.gz ZVBAXDBJOVXJDM-QHCPKHFHSA-N 1 1 416.569 4.416 50 0 HIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000019828051 558291267 /nfs/dbraw/zinc/29/12/67/558291267.db2.gz DZFBXLKSCRWWQK-UHFFFAOYSA-N 1 1 409.917 4.007 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCCC[C@H]2CO)cc1F ZINC000011873549 558291411 /nfs/dbraw/zinc/29/14/11/558291411.db2.gz SSKLFHMKTZYMSR-FQEVSTJZSA-N 1 1 409.505 4.342 50 0 HIAAMO COc1cc(OC)cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2cccc(C)c2)C3)c1 ZINC000011874370 558291969 /nfs/dbraw/zinc/29/19/69/558291969.db2.gz KVWBQTLNUIUYOL-RUZDIDTESA-N 1 1 408.542 4.141 50 0 HIAAMO C[C@@H]1CCC[N@H+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000011935935 558299979 /nfs/dbraw/zinc/29/99/79/558299979.db2.gz BEBSKVSCBZAXND-QGZVFWFLSA-N 1 1 422.960 4.418 50 0 HIAAMO C[C@@H]1CCC[N@@H+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000011935935 558299982 /nfs/dbraw/zinc/29/99/82/558299982.db2.gz BEBSKVSCBZAXND-QGZVFWFLSA-N 1 1 422.960 4.418 50 0 HIAAMO Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NCC[NH+](C)C)cc1 ZINC000019898476 558304331 /nfs/dbraw/zinc/30/43/31/558304331.db2.gz AGDFTMPDLSUPTN-UHFFFAOYSA-N 1 1 419.934 4.110 50 0 HIAAMO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)CCC2 ZINC000019899786 558304853 /nfs/dbraw/zinc/30/48/53/558304853.db2.gz DCLSGHYCBLHLFJ-UHFFFAOYSA-N 1 1 412.537 4.216 50 0 HIAAMO O[C@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019908836 558306192 /nfs/dbraw/zinc/30/61/92/558306192.db2.gz UATJPUZOXPKLJY-QFIPXVFZSA-N 1 1 406.501 4.055 50 0 HIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc1CO ZINC000012072345 558317796 /nfs/dbraw/zinc/31/77/96/558317796.db2.gz TXOKYCADAWGOHO-SFHVURJKSA-N 1 1 414.521 4.348 50 0 HIAAMO COc1ccccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020109700 558334632 /nfs/dbraw/zinc/33/46/32/558334632.db2.gz YXFIJVQTSZIAJE-UHFFFAOYSA-N 1 1 416.521 4.008 50 0 HIAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000012157217 558340709 /nfs/dbraw/zinc/34/07/09/558340709.db2.gz AGXZBTJGEHOLGX-GZTJUZNOSA-N 1 1 412.917 4.207 50 0 HIAAMO COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 ZINC000012193285 558348454 /nfs/dbraw/zinc/34/84/54/558348454.db2.gz NEGARJCWOYMLPU-JOCHJYFZSA-N 1 1 403.482 4.486 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 ZINC000012193285 558348455 /nfs/dbraw/zinc/34/84/55/558348455.db2.gz NEGARJCWOYMLPU-JOCHJYFZSA-N 1 1 403.482 4.486 50 0 HIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)cc1 ZINC000012299963 558369829 /nfs/dbraw/zinc/36/98/29/558369829.db2.gz ZVVOCDNYLDQLJP-IBGZPJMESA-N 1 1 405.498 4.189 50 0 HIAAMO OCC1(Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000012307084 558375918 /nfs/dbraw/zinc/37/59/18/558375918.db2.gz VTZBUGMLKMNPNT-UHFFFAOYSA-N 1 1 403.448 4.399 50 0 HIAAMO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCO4)C2)cn1 ZINC000012308295 558376658 /nfs/dbraw/zinc/37/66/58/558376658.db2.gz LMSVFGGLCPKEQL-FQEVSTJZSA-N 1 1 402.498 4.257 50 0 HIAAMO Cc1nc[nH]c1C[NH+]1CCC(Oc2ccc(C(=O)NC3CCCC3)cc2Cl)CC1 ZINC000012316436 558379642 /nfs/dbraw/zinc/37/96/42/558379642.db2.gz NHVYHNDUVGMSHP-UHFFFAOYSA-N 1 1 416.953 4.087 50 0 HIAAMO Cc1cccc(-n2ccnc2C[NH+]2CCC(CO)(CCOc3ccccc3)CC2)c1 ZINC000012317631 558380773 /nfs/dbraw/zinc/38/07/73/558380773.db2.gz ULCQTPNWJRTVHI-UHFFFAOYSA-N 1 1 405.542 4.224 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012373044 558390675 /nfs/dbraw/zinc/39/06/75/558390675.db2.gz UFOGIVCZVRTFGH-NRFANRHFSA-N 1 1 418.541 4.429 50 0 HIAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012430974 558405692 /nfs/dbraw/zinc/40/56/92/558405692.db2.gz XVPLWLXRYJDXII-HXUWFJFHSA-N 1 1 420.532 4.335 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cc(F)cc(F)c3)C2)cc1 ZINC000012439047 558410522 /nfs/dbraw/zinc/41/05/22/558410522.db2.gz MXFLOVRFZRGJPO-GOSISDBHSA-N 1 1 402.485 4.000 50 0 HIAAMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)c(-n2cccn2)c1 ZINC000012443633 558412930 /nfs/dbraw/zinc/41/29/30/558412930.db2.gz BDEVBPUITMMABV-FQEVSTJZSA-N 1 1 420.532 4.270 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2cn(C)nc2C)c1 ZINC000020783935 558413403 /nfs/dbraw/zinc/41/34/03/558413403.db2.gz LEIWWYNRTKUIJA-UHFFFAOYSA-N 1 1 401.514 4.222 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2cn(C)nc2C)c1 ZINC000020783935 558413406 /nfs/dbraw/zinc/41/34/06/558413406.db2.gz LEIWWYNRTKUIJA-UHFFFAOYSA-N 1 1 401.514 4.222 50 0 HIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000012462572 558419337 /nfs/dbraw/zinc/41/93/37/558419337.db2.gz WPRFCXGUCIRKHE-UGKGYDQZSA-N 1 1 418.566 4.173 50 0 HIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000012475120 558422587 /nfs/dbraw/zinc/42/25/87/558422587.db2.gz SZUPKKUWHQETQN-INIZCTEOSA-N 1 1 412.452 4.221 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(OC)c1 ZINC000012570356 558428799 /nfs/dbraw/zinc/42/87/99/558428799.db2.gz RUUBNFSRHMOYGM-KRWDZBQOSA-N 1 1 402.560 4.074 50 0 HIAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4c(F)cccc4Cl)[N@@H+]4CCC[C@@]34C2=O)c1 ZINC000012585440 558433901 /nfs/dbraw/zinc/43/39/01/558433901.db2.gz ZGLWWORCYMAQPS-GRWTVWFQSA-N 1 1 414.908 4.426 50 0 HIAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4c(F)cccc4Cl)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012585440 558433903 /nfs/dbraw/zinc/43/39/03/558433903.db2.gz ZGLWWORCYMAQPS-GRWTVWFQSA-N 1 1 414.908 4.426 50 0 HIAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCC(C)CC2)o1 ZINC000021659846 558444979 /nfs/dbraw/zinc/44/49/79/558444979.db2.gz JODZTBRSKMECBS-IBGZPJMESA-N 1 1 408.498 4.206 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012972755 558489561 /nfs/dbraw/zinc/48/95/61/558489561.db2.gz UUHQVKQBRRIBOX-CYBMUJFWSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012972755 558489562 /nfs/dbraw/zinc/48/95/62/558489562.db2.gz UUHQVKQBRRIBOX-CYBMUJFWSA-N 1 1 404.301 4.206 50 0 HIAAMO COc1ccc(-c2nc(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)cs2)cc1 ZINC000012992564 558497088 /nfs/dbraw/zinc/49/70/88/558497088.db2.gz JBGNAANWONYKGX-UHFFFAOYSA-N 1 1 407.539 4.085 50 0 HIAAMO CSc1ncccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023324570 558549139 /nfs/dbraw/zinc/54/91/39/558549139.db2.gz BMVQIWUXZSIYEQ-UHFFFAOYSA-N 1 1 403.551 4.351 50 0 HIAAMO Fc1cccc(C[N@@H+]2CCCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000023360097 558551918 /nfs/dbraw/zinc/55/19/18/558551918.db2.gz GMWFFSUZBPSKKK-UHFFFAOYSA-N 1 1 400.885 4.237 50 0 HIAAMO Fc1cccc(C[N@H+]2CCCN(Cc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000023360097 558551922 /nfs/dbraw/zinc/55/19/22/558551922.db2.gz GMWFFSUZBPSKKK-UHFFFAOYSA-N 1 1 400.885 4.237 50 0 HIAAMO Cc1c(CNCCC[NH2+]CCO)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000013733283 558587585 /nfs/dbraw/zinc/58/75/85/558587585.db2.gz XNFSWJHFMZQHHZ-UHFFFAOYSA-N 1 1 420.384 4.366 50 0 HIAAMO CC(=O)c1cc2c(cc1NC(=O)C[NH2+][C@@H](c1cccs1)c1ccc(C)cc1)OCO2 ZINC000024978419 558624038 /nfs/dbraw/zinc/62/40/38/558624038.db2.gz LSMQQOZWSOXLKJ-HSZRJFAPSA-N 1 1 422.506 4.306 50 0 HIAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014140244 558624866 /nfs/dbraw/zinc/62/48/66/558624866.db2.gz YXWUMPZDSKXGCS-OAQYLSRUSA-N 1 1 422.960 4.206 50 0 HIAAMO Cc1nccc(-c2cccc(NC(=O)c3ccc(C[N@@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)c2)n1 ZINC000025129328 558632213 /nfs/dbraw/zinc/63/22/13/558632213.db2.gz SAWFZYUJYJYTDG-HDICACEKSA-N 1 1 416.525 4.314 50 0 HIAAMO Cc1nccc(-c2cccc(NC(=O)c3ccc(C[N@H+]4C[C@@H](C)O[C@@H](C)C4)cc3)c2)n1 ZINC000025129328 558632215 /nfs/dbraw/zinc/63/22/15/558632215.db2.gz SAWFZYUJYJYTDG-HDICACEKSA-N 1 1 416.525 4.314 50 0 HIAAMO CC(C)[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000025139576 558632386 /nfs/dbraw/zinc/63/23/86/558632386.db2.gz MJVQQNRBRLZDBG-QFIPXVFZSA-N 1 1 415.965 4.369 50 0 HIAAMO COCCN(Cc1cc(F)ccc1F)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014973295 558688315 /nfs/dbraw/zinc/68/83/15/558688315.db2.gz XURXTJKSMHSSFV-LJQANCHMSA-N 1 1 414.540 4.293 50 0 HIAAMO O=C(C1CC[NH+](C2CCN(CCCc3ccccc3)CC2)CC1)N1C[C@H]2C[C@@H]1CCC2 ZINC000014978277 558690182 /nfs/dbraw/zinc/69/01/82/558690182.db2.gz ZEPMVGMFUIKDEV-BVAGGSTKSA-N 1 1 423.645 4.197 50 0 HIAAMO O=C(C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1)N1C[C@H]2C[C@@H]1CCC2 ZINC000014978277 558690184 /nfs/dbraw/zinc/69/01/84/558690184.db2.gz ZEPMVGMFUIKDEV-BVAGGSTKSA-N 1 1 423.645 4.197 50 0 HIAAMO O=C(Cc1cscn1)N1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014980253 558691095 /nfs/dbraw/zinc/69/10/95/558691095.db2.gz GOYRGAWGVWLUNA-XLIONFOSSA-N 1 1 411.596 4.413 50 0 HIAAMO COCCN(Cc1cc2ccccc2[nH]1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014981352 558691983 /nfs/dbraw/zinc/69/19/83/558691983.db2.gz DCOVMMIZWHFJPM-OAQYLSRUSA-N 1 1 417.597 4.496 50 0 HIAAMO COc1ccc(CN2CC[N@H+]([C@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)cc1 ZINC000014994216 558695444 /nfs/dbraw/zinc/69/54/44/558695444.db2.gz NSEVHBIETVSHAG-QGZVFWFLSA-N 1 1 420.475 4.380 50 0 HIAAMO Cc1cc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1Oc1cccnc1 ZINC000072273492 558699176 /nfs/dbraw/zinc/69/91/76/558699176.db2.gz NJGSOLXAQUWEFW-UHFFFAOYSA-N 1 1 416.525 4.182 50 0 HIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)NCc1ccccc1Cl ZINC000015062340 558705465 /nfs/dbraw/zinc/70/54/65/558705465.db2.gz IRKSODPGTNHTPR-QGZVFWFLSA-N 1 1 414.933 4.377 50 0 HIAAMO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccccc1Cl ZINC000029045562 558708776 /nfs/dbraw/zinc/70/87/76/558708776.db2.gz DDLFWSFVMYLLAK-QGZVFWFLSA-N 1 1 400.935 4.221 50 0 HIAAMO Clc1ccc(-c2noc3c2C[N@H+](C2CCN(Cc4ccccn4)CC2)CC3)cc1 ZINC000015066559 558709484 /nfs/dbraw/zinc/70/94/84/558709484.db2.gz GYGSPBCKFAMLLT-UHFFFAOYSA-N 1 1 408.933 4.413 50 0 HIAAMO Clc1ccc(-c2noc3c2CN(C2CC[NH+](Cc4ccccn4)CC2)CC3)cc1 ZINC000015066559 558709488 /nfs/dbraw/zinc/70/94/88/558709488.db2.gz GYGSPBCKFAMLLT-UHFFFAOYSA-N 1 1 408.933 4.413 50 0 HIAAMO COC(=O)c1ccc(CN2CC[C@@H]([N@H+]3CCC[C@@H](c4ccccc4)C3)CCC2=O)cc1 ZINC000015071796 558713299 /nfs/dbraw/zinc/71/32/99/558713299.db2.gz ZZLZHMWVQJFKAB-RPWUZVMVSA-N 1 1 420.553 4.234 50 0 HIAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015524188 558742430 /nfs/dbraw/zinc/74/24/30/558742430.db2.gz QCMLYVPAJWCTJB-HNNXBMFYSA-N 1 1 416.447 4.365 50 0 HIAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000015524188 558742434 /nfs/dbraw/zinc/74/24/34/558742434.db2.gz QCMLYVPAJWCTJB-HNNXBMFYSA-N 1 1 416.447 4.365 50 0 HIAAMO COc1ccc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(C)c(C)c2)C3)c(OC)c1 ZINC000015778977 558753053 /nfs/dbraw/zinc/75/30/53/558753053.db2.gz RKRNDBDRWZMVTL-UHFFFAOYSA-N 1 1 404.514 4.413 50 0 HIAAMO COc1ccc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(C)c(C)c2)C3)c(OC)c1 ZINC000015778977 558753055 /nfs/dbraw/zinc/75/30/55/558753055.db2.gz RKRNDBDRWZMVTL-UHFFFAOYSA-N 1 1 404.514 4.413 50 0 HIAAMO CCOc1ccc(Cl)c(C(=O)OC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(OC)cc2)n1 ZINC000072310648 558777491 /nfs/dbraw/zinc/77/74/91/558777491.db2.gz PQYVLJAMOZKEMH-IIBYNOLFSA-N 1 1 418.921 4.382 50 0 HIAAMO Cc1cccc(NC(=S)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000022941950 558794786 /nfs/dbraw/zinc/79/47/86/558794786.db2.gz JRDUGQVKIFYYIE-YLJYHZDGSA-N 1 1 402.633 4.029 50 0 HIAAMO Cc1cccc(NC(=S)N[C@H](C)[C@H](c2cccs2)[NH+]2CCN(C)CC2)c1C ZINC000022941950 558794787 /nfs/dbraw/zinc/79/47/87/558794787.db2.gz JRDUGQVKIFYYIE-YLJYHZDGSA-N 1 1 402.633 4.029 50 0 HIAAMO COc1ccc(C[NH+]2CCN(c3cc(Oc4cc(C)ccc4F)ncn3)CC2)cc1 ZINC000037357549 558804498 /nfs/dbraw/zinc/80/44/98/558804498.db2.gz HCFRIIUCJZOFLS-UHFFFAOYSA-N 1 1 408.477 4.047 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984074 558805061 /nfs/dbraw/zinc/80/50/61/558805061.db2.gz PPVHHDMIHIEKHN-MPGAHLTBSA-N 1 1 419.525 4.053 50 0 HIAAMO CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)N3CC[NH+](C)CC3)cc21 ZINC000032986632 558806609 /nfs/dbraw/zinc/80/66/09/558806609.db2.gz ZHCORKGOFPXKMC-UHFFFAOYSA-N 1 1 409.917 4.342 50 0 HIAAMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4ccc(F)cc4)CC3)C2=O)cc1 ZINC000018220165 558833988 /nfs/dbraw/zinc/83/39/88/558833988.db2.gz DSVRMQZKCPEXME-QFIPXVFZSA-N 1 1 410.489 4.126 50 0 HIAAMO Cc1cccc(N2CCN(C(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)[C@H](C)C2)[nH+]1 ZINC000072313642 558841012 /nfs/dbraw/zinc/84/10/12/558841012.db2.gz XHKHHYRQTUNKER-QGZVFWFLSA-N 1 1 412.582 4.382 50 0 HIAAMO Cc1cccc(N2CCN(C(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)[C@@H](C)C2)[nH+]1 ZINC000072313643 558841103 /nfs/dbraw/zinc/84/11/03/558841103.db2.gz XHKHHYRQTUNKER-KRWDZBQOSA-N 1 1 412.582 4.382 50 0 HIAAMO CC[C@H]1CCCC[N@H+]1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000019110869 558841794 /nfs/dbraw/zinc/84/17/94/558841794.db2.gz RJPSIUGNNJJLHJ-IBGZPJMESA-N 1 1 410.587 4.475 50 0 HIAAMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000060361009 558874141 /nfs/dbraw/zinc/87/41/41/558874141.db2.gz FNVIDVRMQFKZQL-CYBMUJFWSA-N 1 1 411.333 4.028 50 0 HIAAMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000060361009 558874144 /nfs/dbraw/zinc/87/41/44/558874144.db2.gz FNVIDVRMQFKZQL-CYBMUJFWSA-N 1 1 411.333 4.028 50 0 HIAAMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000060361008 558874216 /nfs/dbraw/zinc/87/42/16/558874216.db2.gz FNVIDVRMQFKZQL-ZDUSSCGKSA-N 1 1 411.333 4.028 50 0 HIAAMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1 ZINC000060361008 558874219 /nfs/dbraw/zinc/87/42/19/558874219.db2.gz FNVIDVRMQFKZQL-ZDUSSCGKSA-N 1 1 411.333 4.028 50 0 HIAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)CC1 ZINC000019356984 558875716 /nfs/dbraw/zinc/87/57/16/558875716.db2.gz RIMDQBIODXRKNV-UHFFFAOYSA-N 1 1 410.315 4.052 50 0 HIAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCn2c(C)cc3ccccc32)c(OC)c1 ZINC000055242442 558877095 /nfs/dbraw/zinc/87/70/95/558877095.db2.gz OUGAGNSVLBXGHE-UHFFFAOYSA-N 1 1 404.514 4.489 50 0 HIAAMO CCCC[N@@H+](C)CCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc21 ZINC000004668051 558878046 /nfs/dbraw/zinc/87/80/46/558878046.db2.gz CGQHOMHKEGZVEB-UHFFFAOYSA-N 1 1 406.530 4.449 50 0 HIAAMO Cc1cc(Cl)ccc1N1CC[NH+](CCNC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000055545167 558882043 /nfs/dbraw/zinc/88/20/43/558882043.db2.gz HGUFYLCTOVBCOA-UHFFFAOYSA-N 1 1 407.345 4.246 50 0 HIAAMO C[C@@H](c1ccccn1)N(C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000071278807 558896547 /nfs/dbraw/zinc/89/65/47/558896547.db2.gz IWHOEDRXXYPNRO-IBGZPJMESA-N 1 1 418.541 4.358 50 0 HIAAMO COCC[N@H+]1CC[C@H](CNc2nc(-c3cccs3)nc3sc(C)c(C)c32)C1 ZINC000058246482 558914917 /nfs/dbraw/zinc/91/49/17/558914917.db2.gz VQMUTRPJXUVBBH-OAHLLOKOSA-N 1 1 402.589 4.417 50 0 HIAAMO COc1ccc([C@H](C)NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000058434987 558927134 /nfs/dbraw/zinc/92/71/34/558927134.db2.gz PLDMDBHJGXCTHW-BTYIYWSLSA-N 1 1 424.438 4.466 50 0 HIAAMO CCN1CC[NH+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072432801 558979708 /nfs/dbraw/zinc/97/97/08/558979708.db2.gz CMFMZSLECZYHMJ-UHFFFAOYSA-N 1 1 409.917 4.421 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@](C)(O)C2)cc1F ZINC000072463179 558983192 /nfs/dbraw/zinc/98/31/92/558983192.db2.gz FEBKZKWBCTXAJK-DEOSSOPVSA-N 1 1 409.505 4.342 50 0 HIAAMO C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031449 558985422 /nfs/dbraw/zinc/98/54/22/558985422.db2.gz GEGIDCCXASQQMS-OXQOHEQNSA-N 1 1 402.995 4.004 50 0 HIAAMO C[C@H](NC(=S)Nc1ccccc1Cl)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031453 558985486 /nfs/dbraw/zinc/98/54/86/558985486.db2.gz WJFJCKIMYLSMDE-JXFKEZNVSA-N 1 1 402.995 4.004 50 0 HIAAMO FC(F)(F)c1cccc(N2CC[NH+](C3CCN(Cc4ccccc4)CC3)CC2)c1 ZINC000004981252 559223557 /nfs/dbraw/zinc/22/35/57/559223557.db2.gz LGZKFFLBKZUASY-UHFFFAOYSA-N 1 1 403.492 4.492 50 0 HIAAMO CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccnc1 ZINC000252552555 559278198 /nfs/dbraw/zinc/27/81/98/559278198.db2.gz UWGHQFZQZXVTHR-PCCBWWKXSA-N 1 1 419.491 4.248 50 0 HIAAMO O=S(=O)(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(F)c(Cl)c1 ZINC000008901255 560640206 /nfs/dbraw/zinc/64/02/06/560640206.db2.gz MMQHGWSXMFEGAX-SFHVURJKSA-N 1 1 416.971 4.436 50 0 HIAAMO CC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982690 560858712 /nfs/dbraw/zinc/85/87/12/560858712.db2.gz KHJGYKRMQBHRFS-TZIWHRDSSA-N 1 1 402.922 4.115 50 0 HIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@@H](c3ccccc3OC)C2)cc1 ZINC000105007834 560859742 /nfs/dbraw/zinc/85/97/42/560859742.db2.gz ZRUPGJMOTXMHIY-FDDCHVKYSA-N 1 1 421.541 4.256 50 0 HIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050406 560860827 /nfs/dbraw/zinc/86/08/27/560860827.db2.gz XMJZRTUJAVPONG-NZQKXSOJSA-N 1 1 416.537 4.074 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2Cl)c(OC)c1 ZINC000108962944 568420475 /nfs/dbraw/zinc/42/04/75/568420475.db2.gz UOIGGMDVUAARNZ-QRWLVFNGSA-N 1 1 402.922 4.372 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccccc2Cl)c(OC)c1 ZINC000108962944 568420477 /nfs/dbraw/zinc/42/04/77/568420477.db2.gz UOIGGMDVUAARNZ-QRWLVFNGSA-N 1 1 402.922 4.372 50 0 HIAAMO CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000048332137 568440034 /nfs/dbraw/zinc/44/00/34/568440034.db2.gz PMOCZWRJVBKDFX-SDNWHVSQSA-N 1 1 421.541 4.311 50 0 HIAAMO COc1cc2nc(C[NH2+][C@@H](C)c3ccc(-c4ccccc4)cc3)[nH]c(=O)c2cc1OC ZINC000049581228 568452814 /nfs/dbraw/zinc/45/28/14/568452814.db2.gz GDTLZKVEMQCPJW-INIZCTEOSA-N 1 1 415.493 4.458 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(OC)c1O ZINC000014972158 568498102 /nfs/dbraw/zinc/49/81/02/568498102.db2.gz RLGSNPOCFKNPIH-LJQANCHMSA-N 1 1 413.514 4.292 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(OC)c1O ZINC000014972158 568498105 /nfs/dbraw/zinc/49/81/05/568498105.db2.gz RLGSNPOCFKNPIH-LJQANCHMSA-N 1 1 413.514 4.292 50 0 HIAAMO CCOc1c(Br)cc(Br)cc1CNC[C@H]1CCC[N@H+]1CC ZINC000022935896 568500734 /nfs/dbraw/zinc/50/07/34/568500734.db2.gz RIVHPPXPQQGEDK-CQSZACIVSA-N 1 1 420.189 4.184 50 0 HIAAMO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCN1CC ZINC000022935896 568500735 /nfs/dbraw/zinc/50/07/35/568500735.db2.gz RIVHPPXPQQGEDK-CQSZACIVSA-N 1 1 420.189 4.184 50 0 HIAAMO C[C@@H](NC(=O)c1ccco1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289208 568597948 /nfs/dbraw/zinc/59/79/48/568597948.db2.gz BXYBJRJCIGHFMM-IIBYNOLFSA-N 1 1 413.518 4.162 50 0 HIAAMO Fc1ccc(-c2cnn3cc(CC[NH+]4CCOCC4)c(-c4ccc(F)cc4)nc23)cc1 ZINC000020365736 568601342 /nfs/dbraw/zinc/60/13/42/568601342.db2.gz SUENGENINRVGMY-UHFFFAOYSA-N 1 1 420.463 4.216 50 0 HIAAMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c1 ZINC000095434757 568609519 /nfs/dbraw/zinc/60/95/19/568609519.db2.gz RTJUYCNHMFOXHT-UHFFFAOYSA-N 1 1 403.467 4.142 50 0 HIAAMO Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)sc1C ZINC000095455732 568617018 /nfs/dbraw/zinc/61/70/18/568617018.db2.gz OTSGGFIYHRKCIP-HNNXBMFYSA-N 1 1 424.611 4.056 50 0 HIAAMO CN1CC[NH+](CCc2cccc(NC(=O)[C@H]3C[C@@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457784 568618777 /nfs/dbraw/zinc/61/87/77/568618777.db2.gz XWTDBUHFUKATNV-FTJBHMTQSA-N 1 1 413.565 4.372 50 0 HIAAMO COc1ccc(C)cc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020927366 568651496 /nfs/dbraw/zinc/65/14/96/568651496.db2.gz YTKFYXLAVQEOAO-UHFFFAOYSA-N 1 1 410.543 4.165 50 0 HIAAMO Cc1cccc(-c2nc(CC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)cs2)c1 ZINC000095943233 568662505 /nfs/dbraw/zinc/66/25/05/568662505.db2.gz QPBUBGNWRFKWKO-AVRDEDQJSA-N 1 1 405.567 4.298 50 0 HIAAMO CCC(CC)(C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000096006288 568682614 /nfs/dbraw/zinc/68/26/14/568682614.db2.gz KDUUFKAKKOBAOQ-QFIPXVFZSA-N 1 1 414.977 4.281 50 0 HIAAMO C[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)C[C@@H](O)COCc1ccccc1 ZINC000096012951 568685240 /nfs/dbraw/zinc/68/52/40/568685240.db2.gz SRCTZCFEAXAQCY-MRXNPFEDSA-N 1 1 404.482 4.098 50 0 HIAAMO C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)C[C@@H](O)COCc1ccccc1 ZINC000096012951 568685242 /nfs/dbraw/zinc/68/52/42/568685242.db2.gz SRCTZCFEAXAQCY-MRXNPFEDSA-N 1 1 404.482 4.098 50 0 HIAAMO C[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227156213 568699399 /nfs/dbraw/zinc/69/93/99/568699399.db2.gz TXXYCCYHVIPQLF-ZNMIVQPWSA-N 1 1 420.351 4.200 50 0 HIAAMO CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000096130075 568701914 /nfs/dbraw/zinc/70/19/14/568701914.db2.gz PMOCZWRJVBKDFX-KAMYIIQDSA-N 1 1 421.541 4.311 50 0 HIAAMO COc1ccccc1N1CC[NH+](Cc2cccc(C(=O)Nc3ccc(F)cc3)c2)CC1 ZINC000034668518 568710174 /nfs/dbraw/zinc/71/01/74/568710174.db2.gz MTLUXWYJSQUHSO-UHFFFAOYSA-N 1 1 419.500 4.409 50 0 HIAAMO Fc1ccccc1Cn1nc(C[NH2+]Cc2ccc3c(c2)OCO3)c(-c2ccccc2)n1 ZINC000247517407 568745450 /nfs/dbraw/zinc/74/54/50/568745450.db2.gz KHWIFGLZXJIPRV-UHFFFAOYSA-N 1 1 416.456 4.151 50 0 HIAAMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@@H]2CCCO2)cc1 ZINC000000904248 568749522 /nfs/dbraw/zinc/74/95/22/568749522.db2.gz YMWNETDCHOFLAE-INIZCTEOSA-N 1 1 402.292 4.363 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(C)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000021793907 568753113 /nfs/dbraw/zinc/75/31/13/568753113.db2.gz CUXMBAULNSSGKV-UHFFFAOYSA-N 1 1 401.514 4.108 50 0 HIAAMO OCC[NH+]1CCN([C@@H]2Cc3cc(Cl)ccc3Sc3c(Cl)cccc32)CC1 ZINC000022459342 568768252 /nfs/dbraw/zinc/76/82/52/568768252.db2.gz XSEBFSVTIBOWKS-GOSISDBHSA-N 1 1 409.382 4.352 50 0 HIAAMO Cc1ccc(C)c(COc2coc(CN3CC[NH+](Cc4ccccc4)CC3)cc2=O)c1 ZINC000022577692 568770112 /nfs/dbraw/zinc/77/01/12/568770112.db2.gz IZQJZUVGBREUEP-UHFFFAOYSA-N 1 1 418.537 4.153 50 0 HIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000057403308 568832489 /nfs/dbraw/zinc/83/24/89/568832489.db2.gz MVLRVMWXVMIIFO-VWLOTQADSA-N 1 1 417.509 4.280 50 0 HIAAMO O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000012568728 568861100 /nfs/dbraw/zinc/86/11/00/568861100.db2.gz RKJSKWAAJNQKNO-UHFFFAOYSA-N 1 1 413.521 4.454 50 0 HIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000003245195 568866952 /nfs/dbraw/zinc/86/69/52/568866952.db2.gz SQXMKUNZAVZSTN-CQSZACIVSA-N 1 1 404.507 4.401 50 0 HIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000003245195 568866953 /nfs/dbraw/zinc/86/69/53/568866953.db2.gz SQXMKUNZAVZSTN-CQSZACIVSA-N 1 1 404.507 4.401 50 0 HIAAMO O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCC[N@H+](C2CSCCSC2)C1 ZINC000012589483 568867832 /nfs/dbraw/zinc/86/78/32/568867832.db2.gz NBPBGGZJYKVTKI-INIZCTEOSA-N 1 1 419.641 4.309 50 0 HIAAMO COc1ccc2c(C[NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)cc(=O)oc2c1 ZINC000058152259 568892868 /nfs/dbraw/zinc/89/28/68/568892868.db2.gz FAICTFSJOBQNRL-UHFFFAOYSA-N 1 1 418.415 4.143 50 0 HIAAMO Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H]([NH3+])Cc3c[nH]c4ccccc34)o2)c1 ZINC000001283335 568911112 /nfs/dbraw/zinc/91/11/12/568911112.db2.gz MKJAFCQNRDUKKU-KRWDZBQOSA-N 1 1 421.526 4.141 50 0 HIAAMO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000248379457 568917363 /nfs/dbraw/zinc/91/73/63/568917363.db2.gz MXTVGGGWSQIPFH-UGKGYDQZSA-N 1 1 408.542 4.479 50 0 HIAAMO Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000248379457 568917364 /nfs/dbraw/zinc/91/73/64/568917364.db2.gz MXTVGGGWSQIPFH-UGKGYDQZSA-N 1 1 408.542 4.479 50 0 HIAAMO O=C(CCc1ncc(-c2ccccc2Cl)o1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012737405 568925227 /nfs/dbraw/zinc/92/52/27/568925227.db2.gz DEWGEAJQZHERMI-GOSISDBHSA-N 1 1 409.917 4.318 50 0 HIAAMO O=C(CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1)Nc1ccc(Br)cc1F ZINC000012759249 568943875 /nfs/dbraw/zinc/94/38/75/568943875.db2.gz XAWAEVWELWWDEJ-UHFFFAOYSA-N 1 1 419.294 4.412 50 0 HIAAMO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000084240832 568944778 /nfs/dbraw/zinc/94/47/78/568944778.db2.gz GARYFTNPEHCBCS-UHFFFAOYSA-N 1 1 402.926 4.404 50 0 HIAAMO CCCC[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@H](CC)c1ccccc1 ZINC000084744381 568957899 /nfs/dbraw/zinc/95/78/99/568957899.db2.gz JZXVSBCOXJJPAR-XMMPIXPASA-N 1 1 421.585 4.448 50 0 HIAAMO CCc1ccccc1NC(=O)CSc1nnc([C@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000004313037 568961349 /nfs/dbraw/zinc/96/13/49/568961349.db2.gz XAUUTNFGQJPIER-QGZVFWFLSA-N 1 1 421.526 4.087 50 0 HIAAMO Cc1ccc(C)c(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1 ZINC000015671321 568961806 /nfs/dbraw/zinc/96/18/06/568961806.db2.gz MNMKQOBKSRYBRX-UHFFFAOYSA-N 1 1 411.531 4.012 50 0 HIAAMO COc1ccccc1[C@@H](CNC(=O)COc1ccc(-c2ccccc2)cc1)[NH+](C)C ZINC000007990082 568966683 /nfs/dbraw/zinc/96/66/83/568966683.db2.gz ZPXQMFCSMXZDJZ-HSZRJFAPSA-N 1 1 404.510 4.160 50 0 HIAAMO C[N@H+]1CCc2c(CNC(=O)NC34CC5CC(CC(C5)C3)C4)c(-n3cccc3)sc2C1 ZINC000015679541 568967218 /nfs/dbraw/zinc/96/72/18/568967218.db2.gz JLRVGGWRLRHDAY-UHFFFAOYSA-N 1 1 424.614 4.295 50 0 HIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(NCc3nc4ccccc4n3C)c2c1C ZINC000008134914 568976762 /nfs/dbraw/zinc/97/67/62/568976762.db2.gz ZACDCIAVFYBUHI-UHFFFAOYSA-N 1 1 406.559 4.403 50 0 HIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000008157248 568978573 /nfs/dbraw/zinc/97/85/73/568978573.db2.gz XNKCLAVTQWKNNR-QHCPKHFHSA-N 1 1 421.541 4.143 50 0 HIAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(C(N)=O)CC2)c1 ZINC000001447691 568985737 /nfs/dbraw/zinc/98/57/37/568985737.db2.gz DXDBODISXKXMTD-UHFFFAOYSA-N 1 1 411.509 4.098 50 0 HIAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000012853116 569010661 /nfs/dbraw/zinc/01/06/61/569010661.db2.gz CMCCAPFXHIMCAZ-HNNXBMFYSA-N 1 1 422.356 4.324 50 0 HIAAMO O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccnc1)[N@@H+]1CCc2ccccc2C1 ZINC000015882551 569019067 /nfs/dbraw/zinc/01/90/67/569019067.db2.gz ZSAOGPRCHFCIMQ-HSZRJFAPSA-N 1 1 405.929 4.193 50 0 HIAAMO O=C(Cc1ccc(Cl)cc1)NC[C@H](c1cccnc1)[N@H+]1CCc2ccccc2C1 ZINC000015882551 569019068 /nfs/dbraw/zinc/01/90/68/569019068.db2.gz ZSAOGPRCHFCIMQ-HSZRJFAPSA-N 1 1 405.929 4.193 50 0 HIAAMO COc1cc2c(cc1OC)C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC2 ZINC000012941237 569028587 /nfs/dbraw/zinc/02/85/87/569028587.db2.gz QJEKTTWSXZHINY-UHFFFAOYSA-N 1 1 409.313 4.398 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000012953623 569029702 /nfs/dbraw/zinc/02/97/02/569029702.db2.gz BNYJXLQSLRNACW-CYBMUJFWSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000012953623 569029703 /nfs/dbraw/zinc/02/97/03/569029703.db2.gz BNYJXLQSLRNACW-CYBMUJFWSA-N 1 1 404.301 4.206 50 0 HIAAMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccccc1Cl)c1csc2ccccc21 ZINC000575621567 569038955 /nfs/dbraw/zinc/03/89/55/569038955.db2.gz POXHHWMWYBPXFR-SFHVURJKSA-N 1 1 408.976 4.277 50 0 HIAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000229901304 569040706 /nfs/dbraw/zinc/04/07/06/569040706.db2.gz SUTCPEASIKLNNV-NTKDMRAZSA-N 1 1 407.558 4.203 50 0 HIAAMO O=C(CSc1ccc(Br)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000013006938 569049732 /nfs/dbraw/zinc/04/97/32/569049732.db2.gz AAUKJULPRYSWBM-KRWDZBQOSA-N 1 1 423.376 4.478 50 0 HIAAMO CC(C)[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F)Cc1ccccc1 ZINC000013007255 569049769 /nfs/dbraw/zinc/04/97/69/569049769.db2.gz QWSWBUOXYNEDEX-LJQANCHMSA-N 1 1 419.447 4.203 50 0 HIAAMO CC(C)[N@@H+](CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F)Cc1ccccc1 ZINC000013007256 569049777 /nfs/dbraw/zinc/04/97/77/569049777.db2.gz QWSWBUOXYNEDEX-IBGZPJMESA-N 1 1 419.447 4.203 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3ccc(-c4ccccc4)nn3)c2)CC1 ZINC000035730078 569053603 /nfs/dbraw/zinc/05/36/03/569053603.db2.gz WILBJESXXXPKQC-UHFFFAOYSA-N 1 1 418.566 4.214 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000245312359 569055833 /nfs/dbraw/zinc/05/58/33/569055833.db2.gz UVNDTQOPQVKEEJ-OEMFJLHTSA-N 1 1 412.505 4.141 50 0 HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000245312359 569055834 /nfs/dbraw/zinc/05/58/34/569055834.db2.gz UVNDTQOPQVKEEJ-OEMFJLHTSA-N 1 1 412.505 4.141 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)CC(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000035800691 569060434 /nfs/dbraw/zinc/06/04/34/569060434.db2.gz AZSBVXMLEQLCNI-JOCHJYFZSA-N 1 1 410.558 4.274 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)CC(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000035800691 569060435 /nfs/dbraw/zinc/06/04/35/569060435.db2.gz AZSBVXMLEQLCNI-JOCHJYFZSA-N 1 1 410.558 4.274 50 0 HIAAMO CCOC(=O)[C@H]1CCCN(c2c(C(=O)c3ccccc3)c[nH+]c3ccc(OC)cc32)C1 ZINC000036058112 569084643 /nfs/dbraw/zinc/08/46/43/569084643.db2.gz RPXDUOBDXQGUDN-SFHVURJKSA-N 1 1 418.493 4.254 50 0 HIAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103484 569092149 /nfs/dbraw/zinc/09/21/49/569092149.db2.gz JHAXHMIDUVXTQT-LJQANCHMSA-N 1 1 411.523 4.227 50 0 HIAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104197 569092259 /nfs/dbraw/zinc/09/22/59/569092259.db2.gz KAMIPNHKLYLDRK-HXUWFJFHSA-N 1 1 405.416 4.277 50 0 HIAAMO O[C@@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104197 569092261 /nfs/dbraw/zinc/09/22/61/569092261.db2.gz KAMIPNHKLYLDRK-HXUWFJFHSA-N 1 1 405.416 4.277 50 0 HIAAMO Cc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1C ZINC000036104631 569092704 /nfs/dbraw/zinc/09/27/04/569092704.db2.gz KRDWRZIDRRQMTK-HSZRJFAPSA-N 1 1 419.521 4.474 50 0 HIAAMO CC(=O)c1ccc(NC(=S)N2CCCC3=C[C@@H]4C[C@@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000006707853 569095406 /nfs/dbraw/zinc/09/54/06/569095406.db2.gz KEECMEYAPMBZSF-IRMYBRCSSA-N 1 1 409.599 4.481 50 0 biogenic HIAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)cc(C)[nH+]1 ZINC000064814502 569100486 /nfs/dbraw/zinc/10/04/86/569100486.db2.gz RVQCNDBARJKICZ-UHFFFAOYSA-N 1 1 419.457 4.039 50 0 HIAAMO Cn1cc(NC(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)c2ccccc2c1=O ZINC000006724920 569100696 /nfs/dbraw/zinc/10/06/96/569100696.db2.gz VSPYLCMGNLWVOG-UHFFFAOYSA-N 1 1 422.529 4.088 50 0 HIAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1N(C)C)C[C@H](O)Cc1ccccc1 ZINC000036301626 569128005 /nfs/dbraw/zinc/12/80/05/569128005.db2.gz KTUIZOGJDDJTSH-HSZRJFAPSA-N 1 1 420.601 4.215 50 0 HIAAMO COC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000036304780 569128947 /nfs/dbraw/zinc/12/89/47/569128947.db2.gz GEVSUYAJPPFBMJ-QFIPXVFZSA-N 1 1 423.557 4.499 50 0 HIAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H](O)COC ZINC000036308565 569129822 /nfs/dbraw/zinc/12/98/22/569129822.db2.gz FNSHNFRMEIONCF-NRFANRHFSA-N 1 1 409.530 4.192 50 0 HIAAMO CCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)CC(C)C ZINC000036312194 569132734 /nfs/dbraw/zinc/13/27/34/569132734.db2.gz VFTZMFLYHSWNAD-UHFFFAOYSA-N 1 1 416.541 4.017 50 0 HIAAMO COc1cccc(C2=NN(C(=O)C[NH+]3CCC(C)CC3)[C@H](c3ccccc3F)C2)c1 ZINC000036341527 569141933 /nfs/dbraw/zinc/14/19/33/569141933.db2.gz OCLWZCQLPOPPHI-QHCPKHFHSA-N 1 1 409.505 4.244 50 0 HIAAMO CCOc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036343953 569142338 /nfs/dbraw/zinc/14/23/38/569142338.db2.gz NWEBPQUWQUOAOJ-QHCPKHFHSA-N 1 1 409.505 4.388 50 0 HIAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000007061439 569216957 /nfs/dbraw/zinc/21/69/57/569216957.db2.gz WPOFOTQCJWDJQY-UHFFFAOYSA-N 1 1 403.482 4.018 50 0 HIAAMO COc1ccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000007061439 569216959 /nfs/dbraw/zinc/21/69/59/569216959.db2.gz WPOFOTQCJWDJQY-UHFFFAOYSA-N 1 1 403.482 4.018 50 0 HIAAMO Cc1oc2c(c1C(=O)N1CCN(c3ccccc3)CC1)C[N@@H+](Cc1ccccc1)CC2 ZINC000065289658 569217970 /nfs/dbraw/zinc/21/79/70/569217970.db2.gz FYDMOSHFQIEKNT-UHFFFAOYSA-N 1 1 415.537 4.109 50 0 HIAAMO Cc1oc2c(c1C(=O)N1CCN(c3ccccc3)CC1)C[N@H+](Cc1ccccc1)CC2 ZINC000065289658 569217972 /nfs/dbraw/zinc/21/79/72/569217972.db2.gz FYDMOSHFQIEKNT-UHFFFAOYSA-N 1 1 415.537 4.109 50 0 HIAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(Br)s1)[NH+]1CCCC1 ZINC000036834262 569229965 /nfs/dbraw/zinc/22/99/65/569229965.db2.gz KJWSSVQOXWUZAE-AWEZNQCLSA-N 1 1 409.349 4.086 50 0 HIAAMO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCc2ccccc21 ZINC000007454328 569239675 /nfs/dbraw/zinc/23/96/75/569239675.db2.gz UXQNBFFOWNCCQR-IBGZPJMESA-N 1 1 408.361 4.232 50 0 HIAAMO C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCCc2ccccc21 ZINC000007454328 569239676 /nfs/dbraw/zinc/23/96/76/569239676.db2.gz UXQNBFFOWNCCQR-IBGZPJMESA-N 1 1 408.361 4.232 50 0 HIAAMO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000013322795 569254894 /nfs/dbraw/zinc/25/48/94/569254894.db2.gz FFJJOFKRWJQDPK-UHFFFAOYSA-N 1 1 402.336 4.361 50 0 HIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(C)c4)CC3)n2)cc1 ZINC000017042616 569272411 /nfs/dbraw/zinc/27/24/11/569272411.db2.gz ZCCISPBQCZKFTE-UHFFFAOYSA-N 1 1 401.514 4.108 50 0 HIAAMO COc1ccc(C[NH+]2CCN(c3cc(Oc4ccc(Cl)cc4)ncn3)CC2)cc1 ZINC000037356543 569272886 /nfs/dbraw/zinc/27/28/86/569272886.db2.gz WKTQHQAZMINOGL-UHFFFAOYSA-N 1 1 410.905 4.253 50 0 HIAAMO COc1cccc([C@H](CNC(=O)c2sc(-c3ccccn3)nc2C)[NH+]2CCCC2)c1 ZINC000027341930 569293933 /nfs/dbraw/zinc/29/39/33/569293933.db2.gz AJFVJLGJIURDTQ-FQEVSTJZSA-N 1 1 422.554 4.089 50 0 HIAAMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007788094 569310472 /nfs/dbraw/zinc/31/04/72/569310472.db2.gz IKTAKHQPQWBCOF-UHFFFAOYSA-N 1 1 402.542 4.382 50 0 HIAAMO Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007856005 569314749 /nfs/dbraw/zinc/31/47/49/569314749.db2.gz VXWXFIASVSLZNO-FXAWDEMLSA-N 1 1 408.571 4.178 50 0 HIAAMO Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007856005 569314751 /nfs/dbraw/zinc/31/47/51/569314751.db2.gz VXWXFIASVSLZNO-FXAWDEMLSA-N 1 1 408.571 4.178 50 0 HIAAMO Cc1ccc(NC(=O)CSc2nnc([C@@H]([NH3+])Cc3c[nH]c4ccccc34)o2)c(C)c1 ZINC000002374047 569389275 /nfs/dbraw/zinc/38/92/75/569389275.db2.gz HFGPIAHGJWWKDI-KRWDZBQOSA-N 1 1 421.526 4.141 50 0 aggregator HIAAMO Cn1c2nnc(C[N@H+](Cc3ccccc3)[C@@H]3CCCC3(C)C)n2c2ccsc2c1=O ZINC000079022083 569424512 /nfs/dbraw/zinc/42/45/12/569424512.db2.gz UCNHNBBKKVWEKM-GOSISDBHSA-N 1 1 421.570 4.224 50 0 HIAAMO Cn1c2nnc(C[N@@H+](Cc3ccccc3)[C@@H]3CCCC3(C)C)n2c2ccsc2c1=O ZINC000079022083 569424514 /nfs/dbraw/zinc/42/45/14/569424514.db2.gz UCNHNBBKKVWEKM-GOSISDBHSA-N 1 1 421.570 4.224 50 0 HIAAMO COc1ccc(C[NH+]2CCN(c3cc(C)c4cc(C)cc(C)c4n3)CC2)cc1OC ZINC000039976598 571135666 /nfs/dbraw/zinc/13/56/66/571135666.db2.gz DPCHTHXFTYVOMI-UHFFFAOYSA-N 1 1 405.542 4.499 50 0 HIAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000040121456 571177550 /nfs/dbraw/zinc/17/75/50/571177550.db2.gz NUNKDFBWRZSMPN-HOTGVXAUSA-N 1 1 406.448 4.245 50 0 HIAAMO CC(C)[N@@H+](C)C1CCN(S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1 ZINC000040158376 571204944 /nfs/dbraw/zinc/20/49/44/571204944.db2.gz WXLALARYLPMKOH-UHFFFAOYSA-N 1 1 408.608 4.139 50 0 HIAAMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H]1CCCc2ccccc21 ZINC000245237312 571219367 /nfs/dbraw/zinc/21/93/67/571219367.db2.gz JDJSVWMSCLZVJH-VXKWHMMOSA-N 1 1 406.526 4.131 50 0 HIAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@H]2CCCO2)c(C)c1 ZINC000245279941 571222635 /nfs/dbraw/zinc/22/26/35/571222635.db2.gz KMJNBVKULZSWQF-FYYLOGMGSA-N 1 1 403.950 4.378 50 0 HIAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 ZINC000009375984 571252828 /nfs/dbraw/zinc/25/28/28/571252828.db2.gz QLAZTTUDMZHCMI-MRXNPFEDSA-N 1 1 419.432 4.132 50 0 HIAAMO O=C(Nc1ccc(F)cc1)[C@H]([NH2+]Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000009607201 571273337 /nfs/dbraw/zinc/27/33/37/571273337.db2.gz HCHQNZDNRSBKKV-XMMPIXPASA-N 1 1 417.484 4.422 50 0 HIAAMO COC(=O)c1ccc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000012458253 845872180 /nfs/dbraw/zinc/87/21/80/845872180.db2.gz HYSHBVZRHIIRBN-PTLVVNQVSA-N 1 1 424.928 4.065 50 0 HIAAMO CCOC(=O)c1nn(CC)c2c1C[N@@H+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000014534887 845956984 /nfs/dbraw/zinc/95/69/84/845956984.db2.gz UBRBXAVOYLVERB-UHFFFAOYSA-N 1 1 403.526 4.270 50 0 HIAAMO CC(C)C[N@@H+]1C[C@H](C(=O)NCCc2ccccc2)C[C@H](COc2cccc(F)c2)C1 ZINC000014750262 845977587 /nfs/dbraw/zinc/97/75/87/845977587.db2.gz DFUHTVUAMRSFGZ-FCHUYYIVSA-N 1 1 412.549 4.158 50 0 HIAAMO CC[C@H]1C[N@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccc(Cl)cc2O1 ZINC000014993612 845996614 /nfs/dbraw/zinc/99/66/14/845996614.db2.gz JQUHJJQSXYWWBQ-FQEVSTJZSA-N 1 1 411.933 4.311 50 0 HIAAMO CC[C@H]1C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccc(Cl)cc2O1 ZINC000014993612 845996620 /nfs/dbraw/zinc/99/66/20/845996620.db2.gz JQUHJJQSXYWWBQ-FQEVSTJZSA-N 1 1 411.933 4.311 50 0 HIAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)o1 ZINC000015076344 846006960 /nfs/dbraw/zinc/00/69/60/846006960.db2.gz XPIVOGAXRLOAMP-IBGZPJMESA-N 1 1 406.530 4.287 50 0 HIAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](N3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019799367 846373082 /nfs/dbraw/zinc/37/30/82/846373082.db2.gz UMOFAQDCEINNOL-BVBLWJPBSA-N 1 1 421.585 4.004 50 0 HIAAMO COc1ccc(/C=C/CN2CCC[C@H]([NH+]3CCN(c4ccccc4OC)CC3)C2)cc1 ZINC000019799367 846373092 /nfs/dbraw/zinc/37/30/92/846373092.db2.gz UMOFAQDCEINNOL-BVBLWJPBSA-N 1 1 421.585 4.004 50 0 HIAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000020209764 846382031 /nfs/dbraw/zinc/38/20/31/846382031.db2.gz RWXAEZBLGHJEHD-HSZRJFAPSA-N 1 1 402.542 4.408 50 0 HIAAMO C[N@H+](CCc1nc2ccccc2[nH]1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000020780877 846389119 /nfs/dbraw/zinc/38/91/19/846389119.db2.gz IZNRBXBWXZHIGP-UHFFFAOYSA-N 1 1 401.392 4.306 50 0 HIAAMO C[N@@H+](CCc1nc2ccccc2[nH]1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000020780877 846389136 /nfs/dbraw/zinc/38/91/36/846389136.db2.gz IZNRBXBWXZHIGP-UHFFFAOYSA-N 1 1 401.392 4.306 50 0 HIAAMO Cc1nn(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(=S)n1-c1cccc(C)c1 ZINC000022782843 846620475 /nfs/dbraw/zinc/62/04/75/846620475.db2.gz VFZZCBPCHRGHTD-YRNVUSSQSA-N 1 1 419.598 4.309 50 0 HIAAMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC(=O)c3ccccc32)Cc2ccccc2C1 ZINC000023367199 846690108 /nfs/dbraw/zinc/69/01/08/846690108.db2.gz VDEPZCSLMSPWNI-VWLOTQADSA-N 1 1 424.544 4.142 50 0 HIAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183143 849984397 /nfs/dbraw/zinc/98/43/97/849984397.db2.gz NTYQWRIBWUEJMS-HXUWFJFHSA-N 1 1 400.485 4.334 50 0 HIAAMO C[C@H](Cc1ccsc1)NC(=O)C[N@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104297053 852670331 /nfs/dbraw/zinc/67/03/31/852670331.db2.gz IWXYILNIKHLHEK-WZONZLPQSA-N 1 1 406.551 4.431 50 0 HIAAMO C[C@H](Cc1ccsc1)NC(=O)C[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000104297053 852670342 /nfs/dbraw/zinc/67/03/42/852670342.db2.gz IWXYILNIKHLHEK-WZONZLPQSA-N 1 1 406.551 4.431 50 0 HIAAMO CC(C)CC(=O)N1CCC2(CC1)C[C@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776691 853663797 /nfs/dbraw/zinc/66/37/97/853663797.db2.gz QJJONYPOAOLWLA-JOCHJYFZSA-N 1 1 402.554 4.376 50 0 HIAAMO Cc1c[nH+]c(CCNC(=O)CCc2nc3ccccc3s2)n1Cc1ccccc1 ZINC000575317713 948644134 /nfs/dbraw/zinc/64/41/34/948644134.db2.gz XXTNABQATAZHAU-UHFFFAOYSA-N 1 1 404.539 4.141 50 0 HIAAMO O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000001040357 132235675 /nfs/dbraw/zinc/23/56/75/132235675.db2.gz GIEHIZKCIZLXLF-UHFFFAOYSA-N 1 1 422.337 4.053 50 0 in-vitro HIAAMO CSc1nc2c(sc3nc(C(C)C)c4c(c32)CCC4)c(N2CC[NH+](C)CC2)n1 ZINC000002427406 132254475 /nfs/dbraw/zinc/25/44/75/132254475.db2.gz IIWJJSANAYOWBF-UHFFFAOYSA-N 1 1 413.616 4.325 50 0 HIAAMO C[C@@H]1CN(c2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)C[C@@H](C)O1 ZINC000003312076 132264361 /nfs/dbraw/zinc/26/43/61/132264361.db2.gz LWEXYIDBSQPZFD-HZPDHXFCSA-N 1 1 400.592 4.170 50 0 HIAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012733935 132366354 /nfs/dbraw/zinc/36/63/54/132366354.db2.gz PDESJXATSXXFSN-HNNXBMFYSA-N 1 1 422.356 4.289 50 0 HIAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012733935 132366355 /nfs/dbraw/zinc/36/63/55/132366355.db2.gz PDESJXATSXXFSN-HNNXBMFYSA-N 1 1 422.356 4.289 50 0 HIAAMO C[NH+](C)CCNCc1cc(Br)ccc1OCc1ccc(F)cc1Cl ZINC000040720400 521788571 /nfs/dbraw/zinc/78/85/71/521788571.db2.gz VBWGSSHKKCJCFU-UHFFFAOYSA-N 1 1 415.734 4.472 50 0 HIAAMO COc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3[NH2+]Cc2c(C)nn(C)c2Cl)cc1 ZINC000020598989 523353827 /nfs/dbraw/zinc/35/38/27/523353827.db2.gz VWDYEUCNDMGZQU-LJQANCHMSA-N 1 1 413.953 4.380 50 0 HIAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3nc(-c4ccco4)sc3C)CC2)cc1 ZINC000032786717 524026555 /nfs/dbraw/zinc/02/65/55/524026555.db2.gz IRMGZYOVBAHMQW-UHFFFAOYSA-N 1 1 411.527 4.068 50 0 HIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3nc(-c4ccco4)sc3C)CC2)cc1 ZINC000032786717 524026559 /nfs/dbraw/zinc/02/65/59/524026559.db2.gz IRMGZYOVBAHMQW-UHFFFAOYSA-N 1 1 411.527 4.068 50 0 HIAAMO COc1ccc(Cc2noc(C[N@@H+]3CC[C@@H](c4ccccc4Cl)C3)n2)cc1OC ZINC000020538178 524169946 /nfs/dbraw/zinc/16/99/46/524169946.db2.gz QGRDLBKLVMEUDM-MRXNPFEDSA-N 1 1 413.905 4.321 50 0 HIAAMO COc1ccc(Cc2noc(C[N@H+]3CC[C@@H](c4ccccc4Cl)C3)n2)cc1OC ZINC000020538178 524169951 /nfs/dbraw/zinc/16/99/51/524169951.db2.gz QGRDLBKLVMEUDM-MRXNPFEDSA-N 1 1 413.905 4.321 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2c[nH]c3ccccc23)C1 ZINC000045980537 524408521 /nfs/dbraw/zinc/40/85/21/524408521.db2.gz GGFKDSRJSSHFOQ-IBGZPJMESA-N 1 1 405.542 4.203 50 0 HIAAMO O=C(CCc1cccnc1)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000020601234 526618491 /nfs/dbraw/zinc/61/84/91/526618491.db2.gz DHJQZSUZMIZLGX-XMMPIXPASA-N 1 1 420.601 4.483 50 0 HIAAMO O=C(NCC(F)(F)F)c1ccc(C[N@H+](Cc2nc3ccccc3o2)C2CC2)cc1 ZINC000029698688 527554420 /nfs/dbraw/zinc/55/44/20/527554420.db2.gz XEZCCMABILOYDQ-UHFFFAOYSA-N 1 1 403.404 4.285 50 0 HIAAMO O=C(NCC(F)(F)F)c1ccc(C[N@@H+](Cc2nc3ccccc3o2)C2CC2)cc1 ZINC000029698688 527554425 /nfs/dbraw/zinc/55/44/25/527554425.db2.gz XEZCCMABILOYDQ-UHFFFAOYSA-N 1 1 403.404 4.285 50 0 HIAAMO O=C(C[NH+]1CCC(C(O)(c2ccccc2)c2ccccc2)CC1)Nc1ccccc1 ZINC000002354957 557339795 /nfs/dbraw/zinc/33/97/95/557339795.db2.gz VUBFUAHKEBCMTF-UHFFFAOYSA-N 1 1 400.522 4.273 50 0 HIAAMO Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1C ZINC000034668119 557361677 /nfs/dbraw/zinc/36/16/77/557361677.db2.gz FJDZYSVPPSZRCD-UHFFFAOYSA-N 1 1 403.526 4.149 50 0 HIAAMO COc1ccc(Cl)cc1NC(=S)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000004299418 557537431 /nfs/dbraw/zinc/53/74/31/557537431.db2.gz WHCMGYDIEGKZCQ-UHFFFAOYSA-N 1 1 407.942 4.392 50 0 HIAAMO COc1ccc(Cl)cc1NC(=S)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000004299418 557537435 /nfs/dbraw/zinc/53/74/35/557537435.db2.gz WHCMGYDIEGKZCQ-UHFFFAOYSA-N 1 1 407.942 4.392 50 0 HIAAMO COc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1cccnc1 ZINC000006701029 557716157 /nfs/dbraw/zinc/71/61/57/557716157.db2.gz HCUUPRNOYPVXNY-UHFFFAOYSA-N 1 1 414.303 4.117 50 0 HIAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000002707181 557744092 /nfs/dbraw/zinc/74/40/92/557744092.db2.gz JCDAIFJFHNIPPT-ZEQRLZLVSA-N 1 1 408.461 4.499 50 0 HIAAMO Cc1cccnc1CNC(=O)CC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2F)C1 ZINC000019742399 558262732 /nfs/dbraw/zinc/26/27/32/558262732.db2.gz NNFBZWZEPYFADL-XMMPIXPASA-N 1 1 419.500 4.171 50 0 HIAAMO CC[N@H+]1CCC[C@H]1CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022921899 558263898 /nfs/dbraw/zinc/26/38/98/558263898.db2.gz BGJMXTWCMLLLQP-GHTZIAJQSA-N 1 1 401.938 4.102 50 0 HIAAMO CCN1CCC[C@H]1C[NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022921899 558263900 /nfs/dbraw/zinc/26/39/00/558263900.db2.gz BGJMXTWCMLLLQP-GHTZIAJQSA-N 1 1 401.938 4.102 50 0 HIAAMO CN(Cc1cccn1-c1ccccn1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011667795 558269546 /nfs/dbraw/zinc/26/95/46/558269546.db2.gz RRUWYLIPENHBIU-JOCHJYFZSA-N 1 1 406.549 4.398 50 0 HIAAMO O=C(c1cnn(-c2ccccc2)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 ZINC000011815401 558279347 /nfs/dbraw/zinc/27/93/47/558279347.db2.gz NCDBJRCABRETPB-RUZDIDTESA-N 1 1 418.516 4.140 50 0 HIAAMO COc1ccc(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cc1 ZINC000011817538 558280866 /nfs/dbraw/zinc/28/08/66/558280866.db2.gz KOSAATAJBYPEPZ-OAQYLSRUSA-N 1 1 414.977 4.304 50 0 HIAAMO COc1cc(-c2nc(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)c(C)o2)ccc1F ZINC000011821290 558284434 /nfs/dbraw/zinc/28/44/34/558284434.db2.gz NKOQOHPFRUHOCO-IBGZPJMESA-N 1 1 411.477 4.374 50 0 HIAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@H](OCc4cccnc4)C3)c(C)o2)ccc1F ZINC000011821290 558284438 /nfs/dbraw/zinc/28/44/38/558284438.db2.gz NKOQOHPFRUHOCO-IBGZPJMESA-N 1 1 411.477 4.374 50 0 HIAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000011840806 558286681 /nfs/dbraw/zinc/28/66/81/558286681.db2.gz XMBKFERFHDQRJC-KRWDZBQOSA-N 1 1 400.906 4.402 50 0 HIAAMO COc1ccc(CCC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc1 ZINC000011873463 558291125 /nfs/dbraw/zinc/29/11/25/558291125.db2.gz VIHKCTPFTMAAQY-JOCHJYFZSA-N 1 1 412.549 4.180 50 0 HIAAMO OCC[N@@H+](Cc1nc(-c2cccc(Cl)c2)no1)CC12CC3CC(CC(C3)C1)C2 ZINC000011873895 558291517 /nfs/dbraw/zinc/29/15/17/558291517.db2.gz APXVCYBPPALTFX-UHFFFAOYSA-N 1 1 401.938 4.401 50 0 HIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000019835115 558292481 /nfs/dbraw/zinc/29/24/81/558292481.db2.gz SZDQZGJYMCVMNC-UHFFFAOYSA-N 1 1 411.855 4.115 50 0 HIAAMO CCc1cc([C@H](c2ccccn2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880749 558300752 /nfs/dbraw/zinc/30/07/52/558300752.db2.gz IIYDJCWOXXIPMK-JOCHJYFZSA-N 1 1 420.582 4.295 50 0 HIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](Cc3cnc(SC)nc3)C2)c(C)c1 ZINC000012031515 558311423 /nfs/dbraw/zinc/31/14/23/558311423.db2.gz VWTAOTZESIWWSQ-KRWDZBQOSA-N 1 1 414.575 4.146 50 0 HIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnc(SC)nc3)C2)c(C)c1 ZINC000012031515 558311424 /nfs/dbraw/zinc/31/14/24/558311424.db2.gz VWTAOTZESIWWSQ-KRWDZBQOSA-N 1 1 414.575 4.146 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc2c1OCO2 ZINC000012057674 558316601 /nfs/dbraw/zinc/31/66/01/558316601.db2.gz LDTINLLFKAYLSY-INIZCTEOSA-N 1 1 401.890 4.481 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc2c1OCO2 ZINC000012057674 558316604 /nfs/dbraw/zinc/31/66/04/558316604.db2.gz LDTINLLFKAYLSY-INIZCTEOSA-N 1 1 401.890 4.481 50 0 HIAAMO OC[C@]1(CCCc2ccccc2)CCC[N@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000012076223 558319881 /nfs/dbraw/zinc/31/98/81/558319881.db2.gz NEZALBHPXJDXRA-AREMUKBSSA-N 1 1 407.602 4.143 50 0 HIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012091040 558324102 /nfs/dbraw/zinc/32/41/02/558324102.db2.gz LJDGQIYOBWLODK-SFHVURJKSA-N 1 1 407.432 4.171 50 0 HIAAMO O=C(c1cc(-c2ccco2)on1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020137602 558338031 /nfs/dbraw/zinc/33/80/31/558338031.db2.gz SMUCSNXJXDLQMA-UHFFFAOYSA-N 1 1 413.477 4.482 50 0 HIAAMO C[C@H](Oc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020166433 558342775 /nfs/dbraw/zinc/34/27/75/558342775.db2.gz NSWDLLDIMYEGQF-NRFANRHFSA-N 1 1 400.522 4.388 50 0 HIAAMO Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccnc2)N2CC[NH+](C)CC2)c1C ZINC000020193532 558344799 /nfs/dbraw/zinc/34/47/99/558344799.db2.gz CNWUDJYZOIOLIC-QFIPXVFZSA-N 1 1 420.582 4.349 50 0 HIAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000020207564 558347118 /nfs/dbraw/zinc/34/71/18/558347118.db2.gz PFLZCHURBSPDHB-SFHVURJKSA-N 1 1 408.521 4.335 50 0 HIAAMO CC(C)[N@H+](Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1)C[C@@H]1CCC(=O)N1 ZINC000012209836 558353782 /nfs/dbraw/zinc/35/37/82/558353782.db2.gz BLNKQMHOOIWTBF-NRFANRHFSA-N 1 1 418.541 4.368 50 0 HIAAMO Cc1ccc(CN(CCC[NH+]2CCOCC2)C(=S)NC2CCCCCC2)cc1 ZINC000020367042 558358467 /nfs/dbraw/zinc/35/84/67/558358467.db2.gz UXUOJLYAMGIQLQ-UHFFFAOYSA-N 1 1 403.636 4.117 50 0 HIAAMO Cc1cccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)c1 ZINC000020408175 558360677 /nfs/dbraw/zinc/36/06/77/558360677.db2.gz RKUUTAOEPWKAOW-LJQANCHMSA-N 1 1 405.523 4.116 50 0 HIAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000012300426 558370429 /nfs/dbraw/zinc/37/04/29/558370429.db2.gz IURMVSXIHAUGCJ-KRWDZBQOSA-N 1 1 406.452 4.271 50 0 HIAAMO CC1CC[NH+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)CC1 ZINC000012301577 558371219 /nfs/dbraw/zinc/37/12/19/558371219.db2.gz VHSPGSKJXFYTLF-UHFFFAOYSA-N 1 1 422.960 4.418 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccc4cccc(F)c4n3)C2)c(OC)c1 ZINC000012304433 558373603 /nfs/dbraw/zinc/37/36/03/558373603.db2.gz BOXKXQLWBIXHGD-QGZVFWFLSA-N 1 1 408.473 4.486 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc4cccc(F)c4n3)C2)c(OC)c1 ZINC000012304433 558373605 /nfs/dbraw/zinc/37/36/05/558373605.db2.gz BOXKXQLWBIXHGD-QGZVFWFLSA-N 1 1 408.473 4.486 50 0 HIAAMO Cc1ccc(CN(C)Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)o1 ZINC000012313805 558377175 /nfs/dbraw/zinc/37/71/75/558377175.db2.gz WDLUYEZDSBROSU-JOCHJYFZSA-N 1 1 400.563 4.224 50 0 HIAAMO Cc1ccc(CN(C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)o1 ZINC000012313805 558377179 /nfs/dbraw/zinc/37/71/79/558377179.db2.gz WDLUYEZDSBROSU-JOCHJYFZSA-N 1 1 400.563 4.224 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cn(C)c4ccccc34)C2)cc1 ZINC000012315326 558378557 /nfs/dbraw/zinc/37/85/57/558378557.db2.gz YIKWIGJCJUJCOU-OAQYLSRUSA-N 1 1 419.569 4.214 50 0 HIAAMO O=C(CCc1[nH]nc2c1CCCC2)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012316875 558380248 /nfs/dbraw/zinc/38/02/48/558380248.db2.gz PNCGCGQLWHTCIX-VWLOTQADSA-N 1 1 412.622 4.116 50 0 HIAAMO O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012316875 558380249 /nfs/dbraw/zinc/38/02/49/558380249.db2.gz PNCGCGQLWHTCIX-VWLOTQADSA-N 1 1 412.622 4.116 50 0 HIAAMO O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012316875 558380252 /nfs/dbraw/zinc/38/02/52/558380252.db2.gz PNCGCGQLWHTCIX-VWLOTQADSA-N 1 1 412.622 4.116 50 0 HIAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000012387105 558395843 /nfs/dbraw/zinc/39/58/43/558395843.db2.gz ZSVFQVZHQZOHGJ-DEOSSOPVSA-N 1 1 413.562 4.134 50 0 HIAAMO CN(C(=O)c1cc(-c2ccccc2)on1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012476821 558422754 /nfs/dbraw/zinc/42/27/54/558422754.db2.gz OBAZFKGFCJDEJY-NRFANRHFSA-N 1 1 401.510 4.045 50 0 HIAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012576093 558431047 /nfs/dbraw/zinc/43/10/47/558431047.db2.gz XQXZJYVDGFJINN-FQEVSTJZSA-N 1 1 404.514 4.122 50 0 HIAAMO CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Cl)cc3s2)cc1 ZINC000004359182 558449244 /nfs/dbraw/zinc/44/92/44/558449244.db2.gz GCQNEYRBAJRYRM-UHFFFAOYSA-N 1 1 401.919 4.361 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1)NCc1ccccc1Cl ZINC000012714237 558454404 /nfs/dbraw/zinc/45/44/04/558454404.db2.gz CKGVHRBXJNMEBC-INIZCTEOSA-N 1 1 412.921 4.185 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc1 ZINC000012715246 558454952 /nfs/dbraw/zinc/45/49/52/558454952.db2.gz XJPXALKDSIJEET-HNNXBMFYSA-N 1 1 422.481 4.401 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)[C@@H](C)c3ccc4c(c3)OCCO4)c(C)o2)cc1 ZINC000012715246 558454954 /nfs/dbraw/zinc/45/49/54/558454954.db2.gz XJPXALKDSIJEET-HNNXBMFYSA-N 1 1 422.481 4.401 50 0 HIAAMO CC(C)[N@H+]1CC[C@@H](CN(C)C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1 ZINC000012716055 558455141 /nfs/dbraw/zinc/45/51/41/558455141.db2.gz FBWQEGHVOSGJME-FQEVSTJZSA-N 1 1 405.542 4.415 50 0 HIAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000012778531 558462759 /nfs/dbraw/zinc/46/27/59/558462759.db2.gz MZMIFXONTHBQMO-JOCHJYFZSA-N 1 1 414.509 4.473 50 0 HIAAMO C[NH+](C)[C@H](CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000013013108 558503671 /nfs/dbraw/zinc/50/36/71/558503671.db2.gz BBDIESDGPPXURU-LJQANCHMSA-N 1 1 424.888 4.411 50 0 HIAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)[NH+](C)C ZINC000022652975 558503981 /nfs/dbraw/zinc/50/39/81/558503981.db2.gz WEARLDHEBLGASI-IBGZPJMESA-N 1 1 423.538 4.042 50 0 HIAAMO c1ccc(-c2noc(CCC[NH+]3CCN(Cc4nc5ccccc5s4)CC3)n2)cc1 ZINC000022780573 558510025 /nfs/dbraw/zinc/51/00/25/558510025.db2.gz FCVLBMDJLHHURB-UHFFFAOYSA-N 1 1 419.554 4.097 50 0 HIAAMO O[C@H](COc1cccc(Oc2ccccc2)c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023109834 558534581 /nfs/dbraw/zinc/53/45/81/558534581.db2.gz VEMZPYVDXKDNQZ-QFIPXVFZSA-N 1 1 422.500 4.180 50 0 HIAAMO CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)s2)c(C)n1 ZINC000023214344 558542898 /nfs/dbraw/zinc/54/28/98/558542898.db2.gz SLZJVVZXQMCCHK-OAHLLOKOSA-N 1 1 401.561 4.319 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(=O)Nc3nccs3)s2)c(C)n1 ZINC000023214344 558542901 /nfs/dbraw/zinc/54/29/01/558542901.db2.gz SLZJVVZXQMCCHK-OAHLLOKOSA-N 1 1 401.561 4.319 50 0 HIAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)CC1 ZINC000023430417 558558243 /nfs/dbraw/zinc/55/82/43/558558243.db2.gz QQOOTVJRUBROCD-IBGZPJMESA-N 1 1 414.619 4.062 50 0 HIAAMO COc1ccc(OCc2noc(C[N@@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024668515 558606955 /nfs/dbraw/zinc/60/69/55/558606955.db2.gz GLZDSVGCMVJMGG-MRXNPFEDSA-N 1 1 420.469 4.178 50 0 HIAAMO COc1ccc(OCc2noc(C[N@H+]3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024668515 558606958 /nfs/dbraw/zinc/60/69/58/558606958.db2.gz GLZDSVGCMVJMGG-MRXNPFEDSA-N 1 1 420.469 4.178 50 0 HIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc2cc(Br)ccc2[nH]1 ZINC000024842320 558617089 /nfs/dbraw/zinc/61/70/89/558617089.db2.gz SXSGUMGTLGPSQC-GOSISDBHSA-N 1 1 416.319 4.480 50 0 HIAAMO Cc1ccccc1N1C(=O)C[C@@H]([NH+]2CCC(c3nc4ccccc4s3)CC2)C1=O ZINC000014197013 558633797 /nfs/dbraw/zinc/63/37/97/558633797.db2.gz NWNLIPAMPNISPJ-LJQANCHMSA-N 1 1 405.523 4.116 50 0 HIAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 ZINC000026120948 558655773 /nfs/dbraw/zinc/65/57/73/558655773.db2.gz LJFWXKGZLWFRCM-UHFFFAOYSA-N 1 1 412.921 4.230 50 0 HIAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000011006226 558660580 /nfs/dbraw/zinc/66/05/80/558660580.db2.gz GNSYVBVQGCGUNF-CQSZACIVSA-N 1 1 408.889 4.088 50 0 HIAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027302344 558671831 /nfs/dbraw/zinc/67/18/31/558671831.db2.gz QXEPZFVPNMNTSC-CQSZACIVSA-N 1 1 417.431 4.163 50 0 HIAAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027302344 558671834 /nfs/dbraw/zinc/67/18/34/558671834.db2.gz QXEPZFVPNMNTSC-CQSZACIVSA-N 1 1 417.431 4.163 50 0 HIAAMO COc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027664013 558679170 /nfs/dbraw/zinc/67/91/70/558679170.db2.gz FZVZSBAJXYLWFD-LJQANCHMSA-N 1 1 402.922 4.071 50 0 HIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000027668107 558680122 /nfs/dbraw/zinc/68/01/22/558680122.db2.gz QMPIAXMQHGIXEO-OAQYLSRUSA-N 1 1 420.509 4.067 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)cc1OC ZINC000014948406 558680340 /nfs/dbraw/zinc/68/03/40/558680340.db2.gz WZVHDYXMWNOPAJ-QGZVFWFLSA-N 1 1 405.441 4.400 50 0 HIAAMO C[C@H](CC[N@@H+]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1)c1ccccc1 ZINC000014954017 558681660 /nfs/dbraw/zinc/68/16/60/558681660.db2.gz XIRRPFWAKGKSJT-QGZVFWFLSA-N 1 1 414.933 4.297 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000014954864 558681927 /nfs/dbraw/zinc/68/19/27/558681927.db2.gz CMXPLLKRJSRDNL-LJQANCHMSA-N 1 1 422.548 4.461 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000014954864 558681943 /nfs/dbraw/zinc/68/19/43/558681943.db2.gz CMXPLLKRJSRDNL-LJQANCHMSA-N 1 1 422.548 4.461 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000014954864 558681945 /nfs/dbraw/zinc/68/19/45/558681945.db2.gz CMXPLLKRJSRDNL-LJQANCHMSA-N 1 1 422.548 4.461 50 0 HIAAMO COc1cc(OC)c(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1 ZINC000014964547 558685503 /nfs/dbraw/zinc/68/55/03/558685503.db2.gz GPFWVZSWUJTBFM-INIZCTEOSA-N 1 1 403.906 4.461 50 0 HIAAMO COc1cc(OC)c(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1 ZINC000014964547 558685506 /nfs/dbraw/zinc/68/55/06/558685506.db2.gz GPFWVZSWUJTBFM-INIZCTEOSA-N 1 1 403.906 4.461 50 0 HIAAMO Cc1ccc(-n2cc(C[N@H+](C)CCc3cnn(C)c3)c(-c3ccc(F)cc3)n2)cc1 ZINC000014966419 558685875 /nfs/dbraw/zinc/68/58/75/558685875.db2.gz NYSSQIJHCZJOEV-UHFFFAOYSA-N 1 1 403.505 4.395 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cn1 ZINC000014969753 558687109 /nfs/dbraw/zinc/68/71/09/558687109.db2.gz DVQXVRNSCMEVPJ-MRXNPFEDSA-N 1 1 404.942 4.196 50 0 HIAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000014972189 558687751 /nfs/dbraw/zinc/68/77/51/558687751.db2.gz QZPAZTORWJXFBF-QGZVFWFLSA-N 1 1 416.518 4.283 50 0 HIAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000014975636 558689121 /nfs/dbraw/zinc/68/91/21/558689121.db2.gz DWBCZFJRCQRXDB-QGZVFWFLSA-N 1 1 403.473 4.295 50 0 HIAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000014988295 558693331 /nfs/dbraw/zinc/69/33/31/558693331.db2.gz DZPXESDLXTXDPR-HXUWFJFHSA-N 1 1 408.571 4.496 50 0 HIAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028580662 558702148 /nfs/dbraw/zinc/70/21/48/558702148.db2.gz FGXODRBJOCRICH-LJQANCHMSA-N 1 1 401.890 4.384 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028580662 558702149 /nfs/dbraw/zinc/70/21/49/558702149.db2.gz FGXODRBJOCRICH-LJQANCHMSA-N 1 1 401.890 4.384 50 0 HIAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn(-c4ccccc4)n3)cc2)C1 ZINC000072280730 558705661 /nfs/dbraw/zinc/70/56/61/558705661.db2.gz OWWOWGYPHPZKBL-IBGZPJMESA-N 1 1 403.530 4.426 50 0 HIAAMO COc1ccccc1CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066050 558708816 /nfs/dbraw/zinc/70/88/16/558708816.db2.gz NWGPXLIELLEAPT-QFIPXVFZSA-N 1 1 409.574 4.040 50 0 HIAAMO COc1ccccc1CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066050 558708819 /nfs/dbraw/zinc/70/88/19/558708819.db2.gz NWGPXLIELLEAPT-QFIPXVFZSA-N 1 1 409.574 4.040 50 0 HIAAMO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066050 558708821 /nfs/dbraw/zinc/70/88/21/558708821.db2.gz NWGPXLIELLEAPT-QFIPXVFZSA-N 1 1 409.574 4.040 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066050 558708823 /nfs/dbraw/zinc/70/88/23/558708823.db2.gz NWGPXLIELLEAPT-QFIPXVFZSA-N 1 1 409.574 4.040 50 0 HIAAMO Cc1ccccc1[C@@H](CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)NC(N)=O ZINC000029880230 558723139 /nfs/dbraw/zinc/72/31/39/558723139.db2.gz OWPYPKVIKWTTMY-HSZRJFAPSA-N 1 1 422.573 4.498 50 0 HIAAMO Cc1noc(C)c1CSc1ccccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000030317397 558728709 /nfs/dbraw/zinc/72/87/09/558728709.db2.gz HINVEWPSJNBYFB-UHFFFAOYSA-N 1 1 421.566 4.372 50 0 HIAAMO COc1cccc(NC(=O)[C@H]([NH2+][C@H](C)c2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000030500899 558731101 /nfs/dbraw/zinc/73/11/01/558731101.db2.gz IVXPLJGXRBRKEO-WAIKUNEKSA-N 1 1 404.466 4.455 50 0 HIAAMO CCOc1cc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)s2)ccc1OCC(N)=O ZINC000033087232 558760735 /nfs/dbraw/zinc/76/07/35/558760735.db2.gz KJQDTPNEYHOOIE-GOSISDBHSA-N 1 1 402.560 4.437 50 0 HIAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cc(C)n[nH]4)C3)cc2)c1 ZINC000015935057 558763055 /nfs/dbraw/zinc/76/30/55/558763055.db2.gz MSSFTQMFPUPUOQ-HXUWFJFHSA-N 1 1 404.514 4.244 50 0 HIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)ccc1O ZINC000016012709 558766708 /nfs/dbraw/zinc/76/67/08/558766708.db2.gz OOBKXEZQNMWNQR-BUUDZMLXSA-N 1 1 424.541 4.016 50 0 biogenic,in-vitro HIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)ccc1O ZINC000016012709 558766709 /nfs/dbraw/zinc/76/67/09/558766709.db2.gz OOBKXEZQNMWNQR-BUUDZMLXSA-N 1 1 424.541 4.016 50 0 biogenic,in-vitro HIAAMO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cncc(Br)c1 ZINC000032988531 558808272 /nfs/dbraw/zinc/80/82/72/558808272.db2.gz XHDJZFMEYWUDDP-KRWDZBQOSA-N 1 1 408.727 4.064 50 0 HIAAMO O=C1C[C@H]([NH+]2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000018220187 558833974 /nfs/dbraw/zinc/83/39/74/558833974.db2.gz JTMCDOVKBWKCCP-NRFANRHFSA-N 1 1 416.443 4.081 50 0 HIAAMO Cc1ccccc1N1CC[NH+]([C@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)CC1 ZINC000055326160 558879129 /nfs/dbraw/zinc/87/91/29/558879129.db2.gz AWPMYSOGNNDYPS-SFHVURJKSA-N 1 1 415.940 4.214 50 0 HIAAMO CC[C@]1(c2ccccc2)NC(=O)N(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000058160779 558905290 /nfs/dbraw/zinc/90/52/90/558905290.db2.gz FTKVHWNPDYUODF-RCZVLFRGSA-N 1 1 421.541 4.427 50 0 HIAAMO CC[C@]1(c2ccccc2)NC(=O)N(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000058160779 558905293 /nfs/dbraw/zinc/90/52/93/558905293.db2.gz FTKVHWNPDYUODF-RCZVLFRGSA-N 1 1 421.541 4.427 50 0 HIAAMO COCC[N@H+]1CC[C@@H](CNc2nc(-c3cccs3)nc3sc(C)c(C)c32)C1 ZINC000058246479 558914905 /nfs/dbraw/zinc/91/49/05/558914905.db2.gz VQMUTRPJXUVBBH-HNNXBMFYSA-N 1 1 402.589 4.417 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(F)cc1Br ZINC000058249139 558914946 /nfs/dbraw/zinc/91/49/46/558914946.db2.gz PKNBELAWONWKJK-CQSZACIVSA-N 1 1 400.336 4.042 50 0 HIAAMO Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058343573 558920894 /nfs/dbraw/zinc/92/08/94/558920894.db2.gz SVUDNOVACTXHMC-ZEQRLZLVSA-N 1 1 402.542 4.000 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@@](C)(O)C2)cc1F ZINC000072463178 558983092 /nfs/dbraw/zinc/98/30/92/558983092.db2.gz FEBKZKWBCTXAJK-XMMPIXPASA-N 1 1 409.505 4.342 50 0 HIAAMO C[N@H+]1CCCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072479996 558984032 /nfs/dbraw/zinc/98/40/32/558984032.db2.gz FAYWYDAUGOHTMM-UHFFFAOYSA-N 1 1 409.917 4.421 50 0 HIAAMO CN1CCC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072479996 558984034 /nfs/dbraw/zinc/98/40/34/558984034.db2.gz FAYWYDAUGOHTMM-UHFFFAOYSA-N 1 1 409.917 4.421 50 0 HIAAMO CN1CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC1 ZINC000072479996 558984037 /nfs/dbraw/zinc/98/40/37/558984037.db2.gz FAYWYDAUGOHTMM-UHFFFAOYSA-N 1 1 409.917 4.421 50 0 HIAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(CO)o2)C1)c1ccc(-c2ccccc2)cc1 ZINC000076981632 558998831 /nfs/dbraw/zinc/99/88/31/558998831.db2.gz YKWICQKQTJVXJY-LJQANCHMSA-N 1 1 404.510 4.081 50 0 HIAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000011343836 559057563 /nfs/dbraw/zinc/05/75/63/559057563.db2.gz MOFFXLVLDVGMTL-KRWDZBQOSA-N 1 1 407.539 4.310 50 0 HIAAMO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000011343836 559057564 /nfs/dbraw/zinc/05/75/64/559057564.db2.gz MOFFXLVLDVGMTL-KRWDZBQOSA-N 1 1 407.539 4.310 50 0 HIAAMO COc1cc(C[NH2+]Cc2nc3ccccc3[nH]2)cc(Br)c1OC(C)C ZINC000113397583 559180265 /nfs/dbraw/zinc/18/02/65/559180265.db2.gz ZAZWUZMBGYRSRR-UHFFFAOYSA-N 1 1 404.308 4.411 50 0 HIAAMO CCn1c2ccccc2c2sc(C(=O)NCC[N@@H+](C)Cc3ccccc3)cc2c1=O ZINC000004939198 559211655 /nfs/dbraw/zinc/21/16/55/559211655.db2.gz RGUHUPDNISPOHW-UHFFFAOYSA-N 1 1 419.550 4.098 50 0 HIAAMO Cc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4NC3=O)[C@]23COc2ccccc2C3=O)cc1 ZINC000248060046 559260833 /nfs/dbraw/zinc/26/08/33/559260833.db2.gz CYYZPJAXGZCLPS-KWTBFXGESA-N 1 1 424.500 4.133 50 0 HIAAMO Cc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4NC3=O)[C@]23COc2ccccc2C3=O)cc1 ZINC000248060046 559260835 /nfs/dbraw/zinc/26/08/35/559260835.db2.gz CYYZPJAXGZCLPS-KWTBFXGESA-N 1 1 424.500 4.133 50 0 HIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc2c(s1)-c1ccccc1OC2 ZINC000018217109 560784899 /nfs/dbraw/zinc/78/48/99/560784899.db2.gz JGKFFWCDHWQEAP-UHFFFAOYSA-N 1 1 420.534 4.070 50 0 HIAAMO Cc1cccc(C)c1NC(=S)N(CCC[NH+]1CCN(C)CC1)Cc1cccs1 ZINC000101215421 560790064 /nfs/dbraw/zinc/79/00/64/560790064.db2.gz DGLFEUGPAKOVJK-UHFFFAOYSA-N 1 1 416.660 4.201 50 0 HIAAMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000012805918 560884599 /nfs/dbraw/zinc/88/45/99/560884599.db2.gz YIFOSLOUQRWQFP-HZPDHXFCSA-N 1 1 415.921 4.026 50 0 HIAAMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000012805918 560884600 /nfs/dbraw/zinc/88/46/00/560884600.db2.gz YIFOSLOUQRWQFP-HZPDHXFCSA-N 1 1 415.921 4.026 50 0 HIAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)CCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000048340367 568440289 /nfs/dbraw/zinc/44/02/89/568440289.db2.gz JDQGSFPWFFAMDB-KDURUIRLSA-N 1 1 405.542 4.026 50 0 HIAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)CCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000048340367 568440290 /nfs/dbraw/zinc/44/02/90/568440290.db2.gz JDQGSFPWFFAMDB-KDURUIRLSA-N 1 1 405.542 4.026 50 0 HIAAMO O=C(CCn1ccc2cc(Br)ccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012296983 568462529 /nfs/dbraw/zinc/46/25/29/568462529.db2.gz KEEWLCSGAWUNRN-PKOBYXMFSA-N 1 1 418.379 4.175 50 0 HIAAMO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012327854 568472114 /nfs/dbraw/zinc/47/21/14/568472114.db2.gz OGCZGBGWOGXSLB-OAQYLSRUSA-N 1 1 407.558 4.164 50 0 HIAAMO CN1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2ccccc2Cl)CC1 ZINC000020107913 568588394 /nfs/dbraw/zinc/58/83/94/568588394.db2.gz IZVWVDNRAUDLGN-UHFFFAOYSA-N 1 1 423.051 4.238 50 0 HIAAMO CCOC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000390829559 568591915 /nfs/dbraw/zinc/59/19/15/568591915.db2.gz ZTCUOFRRIABOEV-KKSHJYNMSA-N 1 1 423.557 4.290 50 0 HIAAMO O[C@H](CSc1cccc(C(F)(F)F)c1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020385117 568603156 /nfs/dbraw/zinc/60/31/56/568603156.db2.gz XTUVYMZKCHTYMP-INIZCTEOSA-N 1 1 414.468 4.120 50 0 HIAAMO CC[NH+]1CCN(C(=O)CCCc2cn(Cc3ccccc3C)c3ccccc23)CC1 ZINC000020490010 568614199 /nfs/dbraw/zinc/61/41/99/568614199.db2.gz FXHSPDOERNYYMQ-UHFFFAOYSA-N 1 1 403.570 4.485 50 0 HIAAMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000095452798 568615452 /nfs/dbraw/zinc/61/54/52/568615452.db2.gz ITDHDBLCBYQMEP-UZLBHIALSA-N 1 1 414.937 4.262 50 0 HIAAMO O=C(c1cccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)N1CCCC[C@@H]1CCO ZINC000095457156 568617991 /nfs/dbraw/zinc/61/79/91/568617991.db2.gz OHEWWTSYTUCAFM-JWQCQUIFSA-N 1 1 421.585 4.140 50 0 HIAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000095460884 568620422 /nfs/dbraw/zinc/62/04/22/568620422.db2.gz KMAOGAJPCIQAKO-HSZRJFAPSA-N 1 1 411.546 4.086 50 0 HIAAMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(COCCOc2ccccc2)c1 ZINC000095460883 568620457 /nfs/dbraw/zinc/62/04/57/568620457.db2.gz KMAOGAJPCIQAKO-QHCPKHFHSA-N 1 1 411.546 4.086 50 0 HIAAMO CCOc1ccc([C@@](O)(CC)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868310 568647215 /nfs/dbraw/zinc/64/72/15/568647215.db2.gz JCYLCSPPGUKCDC-PKTZIBPZSA-N 1 1 403.950 4.452 50 0 HIAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000095956088 568669407 /nfs/dbraw/zinc/66/94/07/568669407.db2.gz OZEMPAKNOSXVTG-UHFFFAOYSA-N 1 1 407.539 4.297 50 0 HIAAMO Cc1nn2c(ncc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)c2C)c1-c1cccc(C)c1 ZINC000021537908 568712930 /nfs/dbraw/zinc/71/29/30/568712930.db2.gz KZGYJTLTKXSMKY-SFHVURJKSA-N 1 1 419.573 4.173 50 0 HIAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248172893 568748077 /nfs/dbraw/zinc/74/80/77/568748077.db2.gz TXXLXXUGEWCCMM-GOSISDBHSA-N 1 1 406.530 4.477 50 0 HIAAMO 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Cc1cnccc1CN(C)Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c1 ZINC000011661455 845823440 /nfs/dbraw/zinc/82/34/40/845823440.db2.gz LJKWUHZWJJNQKJ-DEOSSOPVSA-N 1 1 411.590 4.026 50 0 HIAAMO COc1ccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 ZINC000012194724 845859430 /nfs/dbraw/zinc/85/94/30/845859430.db2.gz ICQFJXPALOJLOW-QFIPXVFZSA-N 1 1 403.482 4.486 50 0 HIAAMO COc1ccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)cc1 ZINC000012194724 845859432 /nfs/dbraw/zinc/85/94/32/845859432.db2.gz ICQFJXPALOJLOW-QFIPXVFZSA-N 1 1 403.482 4.486 50 0 HIAAMO Clc1ccc(-n2cccc2C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)nc1 ZINC000012434881 845871462 /nfs/dbraw/zinc/87/14/62/845871462.db2.gz JNHMFHBDSASAEW-IBGZPJMESA-N 1 1 424.932 4.373 50 0 HIAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000012707031 845885207 /nfs/dbraw/zinc/88/52/07/845885207.db2.gz HGFGRJGBJREFEB-SFHVURJKSA-N 1 1 407.489 4.330 50 0 HIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3nc(C(C)C)cs3)[N@@H+]3CCC[C@@]23C1=O ZINC000014979618 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/nfs/dbraw/zinc/36/13/67/132361367.db2.gz VSHQUCVDRMZKAQ-HNNXBMFYSA-N 1 1 422.356 4.289 50 0 HIAAMO C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012516029 132361368 /nfs/dbraw/zinc/36/13/68/132361368.db2.gz VSHQUCVDRMZKAQ-HNNXBMFYSA-N 1 1 422.356 4.289 50 0 HIAAMO COc1cccc(CCC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1OC ZINC000032930071 525882064 /nfs/dbraw/zinc/88/20/64/525882064.db2.gz LMXAWDSXFQBVNY-IBGZPJMESA-N 1 1 410.558 4.185 50 0 HIAAMO O=C(C[N@H+]1CCC[C@@H](COCc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000056908426 526749859 /nfs/dbraw/zinc/74/98/59/526749859.db2.gz AMZIYXPRBLHWTB-GOSISDBHSA-N 1 1 417.347 4.316 50 0 HIAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000032911475 527526489 /nfs/dbraw/zinc/52/64/89/527526489.db2.gz GWAHWIQVGFUYEP-OAQYLSRUSA-N 1 1 406.505 4.023 50 0 HIAAMO Cc1ccc(OCCC[N@H+]2CCc3ccccc3C2)c(I)c1 ZINC000002845303 557402532 /nfs/dbraw/zinc/40/25/32/557402532.db2.gz VQIUWMLECSTIKT-UHFFFAOYSA-N 1 1 407.295 4.427 50 0 HIAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccncc3)C[C@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740292 557443733 /nfs/dbraw/zinc/44/37/33/557443733.db2.gz NQCIRBLFTLMGGH-UKILVPOCSA-N 1 1 423.601 4.446 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034855581 557476856 /nfs/dbraw/zinc/47/68/56/557476856.db2.gz YGFKIXXJALZQNI-HOYKHHGWSA-N 1 1 410.558 4.272 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H]([C@@H](C)NC(=O)C(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034855581 557476860 /nfs/dbraw/zinc/47/68/60/557476860.db2.gz YGFKIXXJALZQNI-HOYKHHGWSA-N 1 1 410.558 4.272 50 0 HIAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000004177084 557525015 /nfs/dbraw/zinc/52/50/15/557525015.db2.gz IXIFGHGIRITVND-MRXNPFEDSA-N 1 1 409.368 4.072 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)c1 ZINC000006762191 557719975 /nfs/dbraw/zinc/71/99/75/557719975.db2.gz SBJJZCTXAHQMMQ-XMMPIXPASA-N 1 1 406.570 4.389 50 0 HIAAMO C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022822679 557833246 /nfs/dbraw/zinc/83/32/46/557833246.db2.gz SKUWRUUFSFSHRT-INIZCTEOSA-N 1 1 422.356 4.017 50 0 HIAAMO Cc1ccc(-n2cc(C[NH2+]CCSc3cn[nH]n3)c(-c3cccc(C)c3)n2)cc1 ZINC000019720799 558259077 /nfs/dbraw/zinc/25/90/77/558259077.db2.gz QSVSPXCQHMAPRA-UHFFFAOYSA-N 1 1 404.543 4.156 50 0 HIAAMO O=C(Nc1ccnn1C1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1)c1cccnc1 ZINC000011661970 558265972 /nfs/dbraw/zinc/26/59/72/558265972.db2.gz JYRJEDXEXXEJEX-UHFFFAOYSA-N 1 1 413.884 4.160 50 0 HIAAMO Cc1nn2cc(C[NH2+]Cc3c[nH]nc3-c3ccc(-c4ccccc4)cc3)nc2s1 ZINC000011664108 558267569 /nfs/dbraw/zinc/26/75/69/558267569.db2.gz MGAMDENNTDVQAL-UHFFFAOYSA-N 1 1 400.511 4.446 50 0 HIAAMO CC(C)S(=O)(=O)c1ncc(C[N@H+](C)C2CCCCC2)n1CCc1ccccc1 ZINC000011664609 558268314 /nfs/dbraw/zinc/26/83/14/558268314.db2.gz CTIJMUOHNANSDN-UHFFFAOYSA-N 1 1 403.592 4.072 50 0 HIAAMO CC(C)S(=O)(=O)c1ncc(C[N@@H+](C)C2CCCCC2)n1CCc1ccccc1 ZINC000011664609 558268316 /nfs/dbraw/zinc/26/83/16/558268316.db2.gz CTIJMUOHNANSDN-UHFFFAOYSA-N 1 1 403.592 4.072 50 0 HIAAMO CN(Cc1cccn1-c1ccccn1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011667794 558269524 /nfs/dbraw/zinc/26/95/24/558269524.db2.gz RRUWYLIPENHBIU-QFIPXVFZSA-N 1 1 406.549 4.398 50 0 HIAAMO COc1cccc(CN2CC[N@H+]([C@H](C)CCc3c[nH]c4ccccc34)CCC2=O)c1 ZINC000011783798 558275459 /nfs/dbraw/zinc/27/54/59/558275459.db2.gz SJAYSYNPFYWTAJ-LJQANCHMSA-N 1 1 405.542 4.232 50 0 HIAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cc5ccccc5[nH]4)C3)C2)c1 ZINC000011812809 558277638 /nfs/dbraw/zinc/27/76/38/558277638.db2.gz UODNSYKWWVFQPT-RUZDIDTESA-N 1 1 421.516 4.444 50 0 HIAAMO COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817254 558280603 /nfs/dbraw/zinc/28/06/03/558280603.db2.gz PKHZGEUENIKUKH-QHCPKHFHSA-N 1 1 409.574 4.040 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(NC(C)=O)cc3)C2)cc1 ZINC000011817254 558280606 /nfs/dbraw/zinc/28/06/06/558280606.db2.gz PKHZGEUENIKUKH-QHCPKHFHSA-N 1 1 409.574 4.040 50 0 HIAAMO Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011819651 558283011 /nfs/dbraw/zinc/28/30/11/558283011.db2.gz REFNZGXFUSIEJN-HXUWFJFHSA-N 1 1 410.949 4.169 50 0 HIAAMO Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000011819651 558283015 /nfs/dbraw/zinc/28/30/15/558283015.db2.gz REFNZGXFUSIEJN-HXUWFJFHSA-N 1 1 410.949 4.169 50 0 HIAAMO COc1ccc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000011838844 558285601 /nfs/dbraw/zinc/28/56/01/558285601.db2.gz FDHNEKDPDDRGRC-HSZRJFAPSA-N 1 1 404.570 4.470 50 0 HIAAMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCN(c2ccccc2)CC1 ZINC000019812284 558287235 /nfs/dbraw/zinc/28/72/35/558287235.db2.gz KLEQVSXZZXQLHH-UHFFFAOYSA-N 1 1 411.549 4.207 50 0 HIAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(CO)o4)C3)cc2)c1 ZINC000011878965 558293290 /nfs/dbraw/zinc/29/32/90/558293290.db2.gz FULXUEOVMWMBQT-FQEVSTJZSA-N 1 1 420.509 4.298 50 0 HIAAMO O=C(Nc1ccc(-n2cccn2)cc1)[C@@H]1CCCC[N@H+]1Cc1cccc2ncccc12 ZINC000011937769 558301353 /nfs/dbraw/zinc/30/13/53/558301353.db2.gz LMUHDZLSQPGASB-DEOSSOPVSA-N 1 1 411.509 4.414 50 0 HIAAMO O=C1C[C@@H]([NH+]2CCC(CCc3ccc(Cl)cc3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000019890304 558302962 /nfs/dbraw/zinc/30/29/62/558302962.db2.gz XXSHJPQEEKTSCW-OAQYLSRUSA-N 1 1 414.908 4.456 50 0 HIAAMO Cc1csc(CN(C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000012051828 558314346 /nfs/dbraw/zinc/31/43/46/558314346.db2.gz GASNRYPJBIHFCV-NRFANRHFSA-N 1 1 417.619 4.088 50 0 HIAAMO O=C(NC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012093445 558324786 /nfs/dbraw/zinc/32/47/86/558324786.db2.gz TUNFKGCZDDJPSB-OAQYLSRUSA-N 1 1 402.542 4.082 50 0 HIAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](CCC(=O)Nc2ccc(F)cc2C)C1 ZINC000012111927 558326396 /nfs/dbraw/zinc/32/63/96/558326396.db2.gz DVSJXLZGWDZPPC-MRXNPFEDSA-N 1 1 406.933 4.460 50 0 HIAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)C4CCCCC4)CC3)cc2)cn1 ZINC000012164947 558342260 /nfs/dbraw/zinc/34/22/60/558342260.db2.gz SXXVMEGKBCDQLI-UHFFFAOYSA-N 1 1 424.589 4.002 50 0 HIAAMO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000020207560 558346724 /nfs/dbraw/zinc/34/67/24/558346724.db2.gz PFLZCHURBSPDHB-GOSISDBHSA-N 1 1 408.521 4.335 50 0 HIAAMO COc1ccccc1/C=C/C[N@@H+]1CCC(=O)N(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000012204549 558352255 /nfs/dbraw/zinc/35/22/55/558352255.db2.gz PZWDABPHMGHSPP-VMPITWQZSA-N 1 1 418.459 4.462 50 0 HIAAMO Clc1ccc(-c2n[nH]cc2CN[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000020295755 558354535 /nfs/dbraw/zinc/35/45/35/558354535.db2.gz IXJIZTJXPYRIDY-QFIPXVFZSA-N 1 1 406.961 4.452 50 0 HIAAMO Clc1ccc(-c2n[nH]cc2CN[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000020295755 558354537 /nfs/dbraw/zinc/35/45/37/558354537.db2.gz IXJIZTJXPYRIDY-QFIPXVFZSA-N 1 1 406.961 4.452 50 0 HIAAMO O=C(Nc1ccc2c(c1)OCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020363187 558358161 /nfs/dbraw/zinc/35/81/61/558358161.db2.gz ZQMGORUXZVLSOM-UHFFFAOYSA-N 1 1 415.493 4.354 50 0 HIAAMO Cc1ccc(C)c(C[N@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC2CC2)c1 ZINC000012244309 558361072 /nfs/dbraw/zinc/36/10/72/558361072.db2.gz OQXSTLOOCBVVHK-UGKGYDQZSA-N 1 1 420.582 4.194 50 0 HIAAMO FC(F)(F)c1ccccc1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449303 558364546 /nfs/dbraw/zinc/36/45/46/558364546.db2.gz AYORWNBJHCSFHE-NRFANRHFSA-N 1 1 403.492 4.492 50 0 HIAAMO FC(F)(F)c1ccccc1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449303 558364548 /nfs/dbraw/zinc/36/45/48/558364548.db2.gz AYORWNBJHCSFHE-NRFANRHFSA-N 1 1 403.492 4.492 50 0 HIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)cc1 ZINC000012299961 558369875 /nfs/dbraw/zinc/36/98/75/558369875.db2.gz ZVVOCDNYLDQLJP-LJQANCHMSA-N 1 1 405.498 4.189 50 0 HIAAMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1CO ZINC000012465013 558420163 /nfs/dbraw/zinc/42/01/63/558420163.db2.gz KWHKUJDDKIUUDJ-NRFANRHFSA-N 1 1 411.542 4.460 50 0 HIAAMO CC(C)c1csc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000012467973 558420995 /nfs/dbraw/zinc/42/09/95/558420995.db2.gz PYLJVLRWYCLGSL-QGZVFWFLSA-N 1 1 409.559 4.303 50 0 HIAAMO CC(C)c1csc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)n1 ZINC000012467973 558420999 /nfs/dbraw/zinc/42/09/99/558420999.db2.gz PYLJVLRWYCLGSL-QGZVFWFLSA-N 1 1 409.559 4.303 50 0 HIAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3[nH]c4ccccc4c3C)C2)CC1 ZINC000020919142 558423437 /nfs/dbraw/zinc/42/34/37/558423437.db2.gz PSWSZLNEMPJBJV-NRFANRHFSA-N 1 1 418.585 4.272 50 0 HIAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)CC1 ZINC000020919142 558423439 /nfs/dbraw/zinc/42/34/39/558423439.db2.gz PSWSZLNEMPJBJV-NRFANRHFSA-N 1 1 418.585 4.272 50 0 HIAAMO Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000021584618 558442292 /nfs/dbraw/zinc/44/22/92/558442292.db2.gz FRXOLZKSPLVUGV-UHFFFAOYSA-N 1 1 414.981 4.449 50 0 HIAAMO CC(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(cccc3Cl)s2)cc1 ZINC000004359309 558450750 /nfs/dbraw/zinc/45/07/50/558450750.db2.gz HCFUJNJQVKFGHN-UHFFFAOYSA-N 1 1 401.919 4.361 50 0 HIAAMO Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)cc12 ZINC000012785663 558463269 /nfs/dbraw/zinc/46/32/69/558463269.db2.gz NFDWYJSELSZHHZ-LJQANCHMSA-N 1 1 422.554 4.389 50 0 HIAAMO C[N@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1Br ZINC000012794841 558467900 /nfs/dbraw/zinc/46/79/00/558467900.db2.gz OVTQXGJVTBKTDJ-UHFFFAOYSA-N 1 1 424.726 4.002 50 0 HIAAMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1Br ZINC000012794841 558467903 /nfs/dbraw/zinc/46/79/03/558467903.db2.gz OVTQXGJVTBKTDJ-UHFFFAOYSA-N 1 1 424.726 4.002 50 0 HIAAMO CCOC(=O)Nc1cccc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)c1 ZINC000022295467 558477093 /nfs/dbraw/zinc/47/70/93/558477093.db2.gz DVCDMDMFZOBWNS-GJZGRUSLSA-N 1 1 416.547 4.442 50 0 HIAAMO S=c1n(CN2CC[NH+](Cc3cccs3)CC2)nc(C2CC2)n1-c1ccccc1 ZINC000022365456 558483481 /nfs/dbraw/zinc/48/34/81/558483481.db2.gz DXTPNHBVYPAGIH-UHFFFAOYSA-N 1 1 411.600 4.117 50 0 HIAAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1N1CCOCC1)c1ccc(Cl)cc1Cl ZINC000013056922 558508886 /nfs/dbraw/zinc/50/88/86/558508886.db2.gz SMIZBQPLYUBWFN-AWEZNQCLSA-N 1 1 408.329 4.119 50 0 HIAAMO Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CC[NH+](C)CC2)o1 ZINC000022938411 558527528 /nfs/dbraw/zinc/52/75/28/558527528.db2.gz VFOQCDOTLTUQOX-GOSISDBHSA-N 1 1 415.921 4.015 50 0 HIAAMO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000023144520 558538077 /nfs/dbraw/zinc/53/80/77/558538077.db2.gz JVLZDTIQEXJJHJ-INIZCTEOSA-N 1 1 402.454 4.326 50 0 HIAAMO C[C@H]1C[N@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2)CCO1 ZINC000025060081 558629516 /nfs/dbraw/zinc/62/95/16/558629516.db2.gz NOVVCKYIUJTKPH-AWEZNQCLSA-N 1 1 423.376 4.004 50 0 HIAAMO C[C@H]1C[N@@H+](Cc2ccc(C(=O)N(C)Cc3ccc(Br)s3)cc2)CCO1 ZINC000025060081 558629519 /nfs/dbraw/zinc/62/95/19/558629519.db2.gz NOVVCKYIUJTKPH-AWEZNQCLSA-N 1 1 423.376 4.004 50 0 HIAAMO Cc1ccc(C[N@H+](CCc2ccccc2)CN2C(=O)NC3(CCCCC3)C2=O)s1 ZINC000014242290 558644701 /nfs/dbraw/zinc/64/47/01/558644701.db2.gz GFDDJGDQHLEAQI-UHFFFAOYSA-N 1 1 411.571 4.313 50 0 HIAAMO Cc1ccc(C[N@@H+](CCc2ccccc2)CN2C(=O)NC3(CCCCC3)C2=O)s1 ZINC000014242290 558644704 /nfs/dbraw/zinc/64/47/04/558644704.db2.gz GFDDJGDQHLEAQI-UHFFFAOYSA-N 1 1 411.571 4.313 50 0 HIAAMO CCCCS(=O)(=O)N1CC[NH+]([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000072265276 558666512 /nfs/dbraw/zinc/66/65/12/558666512.db2.gz BMRRGCRHXOZUGS-HSZRJFAPSA-N 1 1 400.588 4.140 50 0 HIAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027302349 558671851 /nfs/dbraw/zinc/67/18/51/558671851.db2.gz QXEPZFVPNMNTSC-AWEZNQCLSA-N 1 1 417.431 4.163 50 0 HIAAMO C[C@@H](C(=O)c1c[nH]c2ccccc12)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027302349 558671854 /nfs/dbraw/zinc/67/18/54/558671854.db2.gz QXEPZFVPNMNTSC-AWEZNQCLSA-N 1 1 417.431 4.163 50 0 HIAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCCCO1 ZINC000014972527 558688165 /nfs/dbraw/zinc/68/81/65/558688165.db2.gz ILXLHNJEVVYJAK-QFIPXVFZSA-N 1 1 419.525 4.328 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(C2CC2)on1 ZINC000014976916 558689438 /nfs/dbraw/zinc/68/94/38/558689438.db2.gz AMPLBBKCGGULFK-KRWDZBQOSA-N 1 1 401.938 4.232 50 0 HIAAMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028288479 558695357 /nfs/dbraw/zinc/69/53/57/558695357.db2.gz YXRCQFAOHIRBFT-HNNXBMFYSA-N 1 1 402.903 4.075 50 0 HIAAMO Cc1cc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000028288987 558695731 /nfs/dbraw/zinc/69/57/31/558695731.db2.gz AQEPILDBZIAHTQ-GOSISDBHSA-N 1 1 410.539 4.428 50 0 HIAAMO Cc1ccccc1CN1CC[C@@H]([N@@H+](C)Cc2nc(-c3ccccc3)no2)CCC1=O ZINC000014997408 558696629 /nfs/dbraw/zinc/69/66/29/558696629.db2.gz GVKPNTXJUXLEKB-NRFANRHFSA-N 1 1 404.514 4.058 50 0 HIAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000015065517 558708381 /nfs/dbraw/zinc/70/83/81/558708381.db2.gz CNUABROAFJAPBN-SFHVURJKSA-N 1 1 411.933 4.273 50 0 HIAAMO COc1ccc(Cc2noc(C[N@H+](C)C[C@@]3(c4ccccc4)CC3(C)C)n2)cc1OC ZINC000015065851 558708662 /nfs/dbraw/zinc/70/86/62/558708662.db2.gz DDALJVOSAXHUSG-RUZDIDTESA-N 1 1 421.541 4.477 50 0 HIAAMO COc1ccc(Cc2noc(C[N@@H+](C)C[C@@]3(c4ccccc4)CC3(C)C)n2)cc1OC ZINC000015065851 558708665 /nfs/dbraw/zinc/70/86/65/558708665.db2.gz DDALJVOSAXHUSG-RUZDIDTESA-N 1 1 421.541 4.477 50 0 HIAAMO COc1ccccc1CCN1CCC[C@H](C[N@H+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066051 558708784 /nfs/dbraw/zinc/70/87/84/558708784.db2.gz NWGPXLIELLEAPT-JOCHJYFZSA-N 1 1 409.574 4.040 50 0 HIAAMO COc1ccccc1CCN1CCC[C@H](C[N@@H+](C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066051 558708786 /nfs/dbraw/zinc/70/87/86/558708786.db2.gz NWGPXLIELLEAPT-JOCHJYFZSA-N 1 1 409.574 4.040 50 0 HIAAMO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066051 558708789 /nfs/dbraw/zinc/70/87/89/558708789.db2.gz NWGPXLIELLEAPT-JOCHJYFZSA-N 1 1 409.574 4.040 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)Cc2ccc(NC(C)=O)cc2)C1 ZINC000015066051 558708790 /nfs/dbraw/zinc/70/87/90/558708790.db2.gz NWGPXLIELLEAPT-JOCHJYFZSA-N 1 1 409.574 4.040 50 0 HIAAMO C[N@@H+](C[C@H](O)COc1cccc(CNCc2c(F)cccc2F)c1)C1CCCCC1 ZINC000015071659 558713304 /nfs/dbraw/zinc/71/33/04/558713304.db2.gz PGBQUNUGLIJDOY-FQEVSTJZSA-N 1 1 418.528 4.259 50 0 HIAAMO O=C(c1ccc[nH]c1=S)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000030181184 558727852 /nfs/dbraw/zinc/72/78/52/558727852.db2.gz OMXPXDNYQNWCRP-UHFFFAOYSA-N 1 1 413.543 4.196 50 0 HIAAMO CCOC(=O)C1(c2ccccc2)CC[NH+](CC(=O)Nc2cccc3ccccc32)CC1 ZINC000004572999 558744428 /nfs/dbraw/zinc/74/44/28/558744428.db2.gz BBKCBPMHPQHHHM-UHFFFAOYSA-N 1 1 416.521 4.375 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000016339218 558786872 /nfs/dbraw/zinc/78/68/72/558786872.db2.gz CJDIPKKPJXKBCL-FQEVSTJZSA-N 1 1 417.347 4.253 50 0 HIAAMO COc1ccc([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1Br ZINC000016695029 558800804 /nfs/dbraw/zinc/80/08/04/558800804.db2.gz QOZBFYCDIITBEO-VXGBXAGGSA-N 1 1 402.292 4.106 50 0 HIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1)NCc1ccccc1F ZINC000019228548 558853174 /nfs/dbraw/zinc/85/31/74/558853174.db2.gz PHVRCUWRYUBLOS-HXUWFJFHSA-N 1 1 420.532 4.320 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252569 558877626 /nfs/dbraw/zinc/87/76/26/558877626.db2.gz REJRHQZAWJHBQQ-FQEVSTJZSA-N 1 1 400.538 4.229 50 0 HIAAMO O=C(c1ccccc1NCc1cccs1)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000055308270 558878897 /nfs/dbraw/zinc/87/88/97/558878897.db2.gz ICCQZTFLNWLAHE-UHFFFAOYSA-N 1 1 406.555 4.103 50 0 HIAAMO O=C(c1ccccc1NCc1cccs1)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000055308270 558878898 /nfs/dbraw/zinc/87/88/98/558878898.db2.gz ICCQZTFLNWLAHE-UHFFFAOYSA-N 1 1 406.555 4.103 50 0 HIAAMO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3c(F)cccc3Cl)C2)CC1 ZINC000055326159 558879041 /nfs/dbraw/zinc/87/90/41/558879041.db2.gz AWPMYSOGNNDYPS-GOSISDBHSA-N 1 1 415.940 4.214 50 0 HIAAMO Cc1ccccc1N1CC[NH+](CCNC(=S)Nc2cc(Cl)ccc2Cl)CC1 ZINC000055549820 558882208 /nfs/dbraw/zinc/88/22/08/558882208.db2.gz AYZIAVYCIPMHGB-UHFFFAOYSA-N 1 1 423.413 4.410 50 0 HIAAMO CC(C)c1noc(CCCC(=O)N2CC[NH+](Cc3csc4ccccc34)CC2)n1 ZINC000058005782 558894453 /nfs/dbraw/zinc/89/44/53/558894453.db2.gz KJMITGQHVWQEFB-UHFFFAOYSA-N 1 1 412.559 4.075 50 0 HIAAMO COc1cc(C)ccc1Oc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cn1 ZINC000058147435 558902297 /nfs/dbraw/zinc/90/22/97/558902297.db2.gz OJLQLMYYHUOYSO-QGZVFWFLSA-N 1 1 410.474 4.208 50 0 HIAAMO O=C(CN1CC[NH+](CCCSc2ccccc2Cl)CC1)Nc1ccccc1 ZINC000058300461 558917799 /nfs/dbraw/zinc/91/77/99/558917799.db2.gz VQPCSLFVFFYMJS-UHFFFAOYSA-N 1 1 403.979 4.079 50 0 HIAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)N3CCCCCC3)cc2)CC1 ZINC000059628179 558937978 /nfs/dbraw/zinc/93/79/78/558937978.db2.gz NFXIJTXWTCYNAZ-UHFFFAOYSA-N 1 1 407.558 4.034 50 0 HIAAMO Cn1c(-c2c(-c3ccccc3)ncn2CC[N@H+]2CCC[C@H](O)C2)cc2ccccc21 ZINC000065435679 558977583 /nfs/dbraw/zinc/97/75/83/558977583.db2.gz STAHSHDVPQIMSY-NRFANRHFSA-N 1 1 400.526 4.166 50 0 HIAAMO COCC[N@H+]1CC[C@@H](Cn2cnc(-c3ccccc3)c2-c2ccc(OC)c(F)c2)C1 ZINC000065506950 558978224 /nfs/dbraw/zinc/97/82/24/558978224.db2.gz YXHQXXRKWTZXPP-GOSISDBHSA-N 1 1 409.505 4.333 50 0 HIAAMO C[N@H+]1CCCN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072429334 558979081 /nfs/dbraw/zinc/97/90/81/558979081.db2.gz OXBVMEWAHYXXPO-UHFFFAOYSA-N 1 1 400.526 4.482 50 0 HIAAMO CN1CCC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072429334 558979082 /nfs/dbraw/zinc/97/90/82/558979082.db2.gz OXBVMEWAHYXXPO-UHFFFAOYSA-N 1 1 400.526 4.482 50 0 HIAAMO CN1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000072429334 558979083 /nfs/dbraw/zinc/97/90/83/558979083.db2.gz OXBVMEWAHYXXPO-UHFFFAOYSA-N 1 1 400.526 4.482 50 0 HIAAMO O=C1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)CCC4)CCN1 ZINC000072469074 558983292 /nfs/dbraw/zinc/98/32/92/558983292.db2.gz WWQNFWRFCXPNDX-UHFFFAOYSA-N 1 1 405.929 4.366 50 0 HIAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](CNC(=O)c4ccc(F)cc4)C3)c2)n1 ZINC000076915969 558998069 /nfs/dbraw/zinc/99/80/69/558998069.db2.gz SSJIGCIYPKPPOK-OAQYLSRUSA-N 1 1 420.532 4.270 50 0 HIAAMO Cc1c2cc(C)cc(CNC(=O)CCC[NH+]3CCOCC3)c2[nH]c1-c1ccccc1 ZINC000082170471 559042141 /nfs/dbraw/zinc/04/21/41/559042141.db2.gz AXSMJYXQYNLVCQ-UHFFFAOYSA-N 1 1 405.542 4.180 50 0 HIAAMO COc1ccc(CC(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318339 559055938 /nfs/dbraw/zinc/05/59/38/559055938.db2.gz XAFPNHFEUZJFIS-UHFFFAOYSA-N 1 1 417.513 4.319 50 0 HIAAMO COc1ccc(CC(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000033318339 559055940 /nfs/dbraw/zinc/05/59/40/559055940.db2.gz XAFPNHFEUZJFIS-UHFFFAOYSA-N 1 1 417.513 4.319 50 0 HIAAMO CNc1cc[nH+]c(N[C@H]2CC(C)(C)Cc3nc(N(C)Cc4ccccc4)ncc32)n1 ZINC000091350985 559071231 /nfs/dbraw/zinc/07/12/31/559071231.db2.gz HINJOTNPJPZUKP-SFHVURJKSA-N 1 1 403.534 4.070 50 0 HIAAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2cnoc2-c2ccccc2)C1 ZINC000095502271 559082602 /nfs/dbraw/zinc/08/26/02/559082602.db2.gz MPDCGAGCPVFPCS-OAQYLSRUSA-N 1 1 403.526 4.368 50 0 HIAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cnoc2-c2ccccc2)C1 ZINC000095502270 559082641 /nfs/dbraw/zinc/08/26/41/559082641.db2.gz MPDCGAGCPVFPCS-NRFANRHFSA-N 1 1 403.526 4.368 50 0 HIAAMO O[C@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957628 559087469 /nfs/dbraw/zinc/08/74/69/559087469.db2.gz KVBFPHMJXQRWSE-KUHUBIRLSA-N 1 1 417.412 4.294 50 0 HIAAMO O=C(CCn1ccc2ccccc21)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198650 559189868 /nfs/dbraw/zinc/18/98/68/559189868.db2.gz FJWSWFYQJWQWGW-SODSZRCFSA-N 1 1 403.570 4.453 50 0 HIAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004918835 559204622 /nfs/dbraw/zinc/20/46/22/559204622.db2.gz NFPXKEWYGWHNLX-QHCPKHFHSA-N 1 1 400.563 4.007 50 0 HIAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1cccn1Cc1ccccc1C)CC(C)C ZINC000004918826 559204664 /nfs/dbraw/zinc/20/46/64/559204664.db2.gz NFPXKEWYGWHNLX-HSZRJFAPSA-N 1 1 400.563 4.007 50 0 HIAAMO CCCC[N@@H+](CCCNC(=O)/C=C1\Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000004931818 559209793 /nfs/dbraw/zinc/20/97/93/559209793.db2.gz SJYVXWKJSCBKKL-XLNRJJMWSA-N 1 1 423.582 4.423 50 0 HIAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O ZINC000004939193 559211690 /nfs/dbraw/zinc/21/16/90/559211690.db2.gz ZDJMLRLONVLBBO-UHFFFAOYSA-N 1 1 413.587 4.478 50 0 HIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)ccc1O ZINC000002352166 560186801 /nfs/dbraw/zinc/18/68/01/560186801.db2.gz OOBKXEZQNMWNQR-NIJXNBFTSA-N 1 1 424.541 4.016 50 0 biogenic,in-vitro HIAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)ccc1O ZINC000002352166 560186802 /nfs/dbraw/zinc/18/68/02/560186802.db2.gz OOBKXEZQNMWNQR-NIJXNBFTSA-N 1 1 424.541 4.016 50 0 biogenic,in-vitro HIAAMO CCOC(=O)C1CC[NH+](Cc2cc(CC)sc2NC(=O)c2ccccc2)CC1 ZINC000005677840 560776421 /nfs/dbraw/zinc/77/64/21/560776421.db2.gz KRJZVKRFCKAVMW-UHFFFAOYSA-N 1 1 400.544 4.338 50 0 HIAAMO Cc1ccc(Cl)cc1NC(=S)N(CCC[NH+]1CCN(C)CC1)Cc1ccco1 ZINC000101214246 560790005 /nfs/dbraw/zinc/79/00/05/560790005.db2.gz OWVKBIFKILQQBD-UHFFFAOYSA-N 1 1 421.010 4.078 50 0 HIAAMO O[C@@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104984405 560859179 /nfs/dbraw/zinc/85/91/79/560859179.db2.gz HJZYRRJFNFLEPM-XZOQPEGZSA-N 1 1 418.512 4.425 50 0 HIAAMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000012805922 560884618 /nfs/dbraw/zinc/88/46/18/560884618.db2.gz YIFOSLOUQRWQFP-JKSUJKDBSA-N 1 1 415.921 4.026 50 0 HIAAMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000012805922 560884620 /nfs/dbraw/zinc/88/46/20/560884620.db2.gz YIFOSLOUQRWQFP-JKSUJKDBSA-N 1 1 415.921 4.026 50 0 HIAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052500 560895015 /nfs/dbraw/zinc/89/50/15/560895015.db2.gz ZEBNWDZUHSRAOK-QZTJIDSGSA-N 1 1 415.603 4.423 50 0 HIAAMO C[C@@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000048289906 568435037 /nfs/dbraw/zinc/43/50/37/568435037.db2.gz MDXZKCQSZQGBJQ-HNNXBMFYSA-N 1 1 418.950 4.209 50 0 HIAAMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1cccs1 ZINC000048311901 568437085 /nfs/dbraw/zinc/43/70/85/568437085.db2.gz PPUDVFDQDVOXLC-GFCCVEGCSA-N 1 1 412.886 4.002 50 0 HIAAMO COC(=O)CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCCC1 ZINC000048369006 568442281 /nfs/dbraw/zinc/44/22/81/568442281.db2.gz IQRYEIOUCYLLKS-UHFFFAOYSA-N 1 1 406.832 4.105 50 0 HIAAMO OCC[NH+]1CCN(CC/C=C2/c3ccccc3CSc3ccc(Cl)cc32)CC1 ZINC000022588286 568487191 /nfs/dbraw/zinc/48/71/91/568487191.db2.gz JLEXAIZTZXJDTI-MPUCSWFWSA-N 1 1 415.002 4.377 50 0 HIAAMO C[C@H](NC(=O)c1ccco1)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289211 568597999 /nfs/dbraw/zinc/59/79/99/568597999.db2.gz BXYBJRJCIGHFMM-HRAATJIYSA-N 1 1 413.518 4.162 50 0 HIAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc2c1C[N@H+]([C@@H](C)CO)C2 ZINC000095458482 568618892 /nfs/dbraw/zinc/61/88/92/568618892.db2.gz GSXQPGJUDZBPLU-ZDUSSCGKSA-N 1 1 411.502 4.206 50 0 HIAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)CO)C2 ZINC000095458482 568618896 /nfs/dbraw/zinc/61/88/96/568618896.db2.gz GSXQPGJUDZBPLU-ZDUSSCGKSA-N 1 1 411.502 4.206 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CN(Cc1nnc(Cc2ccccc2C)o1)Cc1ccc(O)cc1 ZINC000095459852 568620071 /nfs/dbraw/zinc/62/00/71/568620071.db2.gz YHMVWKHKFFSNCZ-JOCHJYFZSA-N 1 1 420.557 4.161 50 0 HIAAMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC000095461570 568620890 /nfs/dbraw/zinc/62/08/90/568620890.db2.gz JTRPZPKVTGCZQP-APWZRJJASA-N 1 1 416.484 4.372 50 0 HIAAMO CC(C)c1nn(C)c(N2CCOCC2)c1CNc1cc(CCc2ccccc2)cc[nH+]1 ZINC000095997644 568679430 /nfs/dbraw/zinc/67/94/30/568679430.db2.gz AOUUIOBCLQQBNQ-UHFFFAOYSA-N 1 1 419.573 4.172 50 0 HIAAMO CC[NH+]1CCN(C(=O)C[C@H](CCc2ccccc2)c2cn(C)c3ccccc23)CC1 ZINC000096275812 568714797 /nfs/dbraw/zinc/71/47/97/568714797.db2.gz OVRPDEBEVCWPAT-QFIPXVFZSA-N 1 1 403.570 4.449 50 0 HIAAMO CCNC(=O)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000248271116 568748271 /nfs/dbraw/zinc/74/82/71/568748271.db2.gz VUEKBFRXSUNXMP-UHFFFAOYSA-N 1 1 410.949 4.086 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000021793951 568753217 /nfs/dbraw/zinc/75/32/17/568753217.db2.gz RMEFLKARYIECTB-UHFFFAOYSA-N 1 1 421.932 4.453 50 0 HIAAMO O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022279741 568765922 /nfs/dbraw/zinc/76/59/22/568765922.db2.gz GPFKBXXDNWCXSG-UHFFFAOYSA-N 1 1 423.944 4.315 50 0 HIAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055757504 568783133 /nfs/dbraw/zinc/78/31/33/568783133.db2.gz CFBVYNNDKVJNOH-ZNMIVQPWSA-N 1 1 406.933 4.069 50 0 HIAAMO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3cccs3)N(C)C)cc2)C1 ZINC000230068516 568805783 /nfs/dbraw/zinc/80/57/83/568805783.db2.gz JOTUMZQZYDQGNL-WIYYLYMNSA-N 1 1 414.619 4.082 50 0 HIAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3cccs3)N(C)C)cc2)C1 ZINC000230068516 568805784 /nfs/dbraw/zinc/80/57/84/568805784.db2.gz JOTUMZQZYDQGNL-WIYYLYMNSA-N 1 1 414.619 4.082 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491655 568820224 /nfs/dbraw/zinc/82/02/24/568820224.db2.gz BIESIXOYFYFWOF-OAQYLSRUSA-N 1 1 409.965 4.221 50 0 HIAAMO CCN1CCC[C@@H]1C[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491655 568820225 /nfs/dbraw/zinc/82/02/25/568820225.db2.gz BIESIXOYFYFWOF-OAQYLSRUSA-N 1 1 409.965 4.221 50 0 HIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1 ZINC000057289800 568825998 /nfs/dbraw/zinc/82/59/98/568825998.db2.gz VNOWKFPJYGHLSM-QFIPXVFZSA-N 1 1 423.513 4.097 50 0 HIAAMO COc1ccc(OC)c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000057350685 568827370 /nfs/dbraw/zinc/82/73/70/568827370.db2.gz HOBBJYYABREXEW-NRFANRHFSA-N 1 1 400.475 4.222 50 0 HIAAMO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@@H](C)c2nc3ccc(C)cc3[nH]2)c1 ZINC000299755860 568872738 /nfs/dbraw/zinc/87/27/38/568872738.db2.gz DTZVPNPOJCTEJM-HKUYNNGSSA-N 1 1 406.530 4.112 50 0 HIAAMO Cc1ccc2oc(=O)c3cc(C(=O)N4CC[NH+](C5CCCCC5)CC4)sc3c2c1 ZINC000058056748 568881497 /nfs/dbraw/zinc/88/14/97/568881497.db2.gz NNAHNHWPUOTYJO-UHFFFAOYSA-N 1 1 410.539 4.407 50 0 HIAAMO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000058085752 568883822 /nfs/dbraw/zinc/88/38/22/568883822.db2.gz SJJCHTJWKIMORO-QFIPXVFZSA-N 1 1 414.958 4.492 50 0 HIAAMO C[N@@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000058085752 568883823 /nfs/dbraw/zinc/88/38/23/568883823.db2.gz SJJCHTJWKIMORO-QFIPXVFZSA-N 1 1 414.958 4.492 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000504781953 568899039 /nfs/dbraw/zinc/89/90/39/568899039.db2.gz MYLQMGNWRSZRBE-ZKMPZPQNSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000504781953 568899041 /nfs/dbraw/zinc/89/90/41/568899041.db2.gz MYLQMGNWRSZRBE-ZKMPZPQNSA-N 1 1 424.541 4.011 50 0 HIAAMO S=C(NCCC[NH+]1CCOCC1)Nc1ccccc1Sc1ccc(Cl)cc1 ZINC000025777760 568914219 /nfs/dbraw/zinc/91/42/19/568914219.db2.gz BIVHWLLMJZCPDI-UHFFFAOYSA-N 1 1 422.019 4.500 50 0 HIAAMO C[N@@H+]1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)[C@@H](c2ccccc2)C1 ZINC000012788295 568960872 /nfs/dbraw/zinc/96/08/72/568960872.db2.gz BWGYSDZIHKFFRE-HSZRJFAPSA-N 1 1 414.509 4.460 50 0 HIAAMO C[N@H+]1CCN(C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)[C@@H](c2ccccc2)C1 ZINC000012788295 568960873 /nfs/dbraw/zinc/96/08/73/568960873.db2.gz BWGYSDZIHKFFRE-HSZRJFAPSA-N 1 1 414.509 4.460 50 0 HIAAMO C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008076314 568972684 /nfs/dbraw/zinc/97/26/84/568972684.db2.gz QGZUUTMSSACSEK-HNNXBMFYSA-N 1 1 423.538 4.274 50 0 HIAAMO CCOC(=O)c1c(C)oc2nc(C)nc(NCC[N@@H+](Cc3ccco3)[C@@H](C)CC)c21 ZINC000015727454 568978388 /nfs/dbraw/zinc/97/83/88/568978388.db2.gz YVXTYUNEAPOEEK-AWEZNQCLSA-N 1 1 414.506 4.322 50 0 HIAAMO Cc1cc([C@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546413 569000182 /nfs/dbraw/zinc/00/01/82/569000182.db2.gz LXVHLDTYABEVBD-FQEVSTJZSA-N 1 1 413.518 4.378 50 0 HIAAMO Cc1cc([C@@H](c2cccs2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546436 569000214 /nfs/dbraw/zinc/00/02/14/569000214.db2.gz NDRODJNFTHVAGU-SFHVURJKSA-N 1 1 401.557 4.300 50 0 HIAAMO CCOc1cc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F ZINC000026454593 569031885 /nfs/dbraw/zinc/03/18/85/569031885.db2.gz RIAHNEGSYMPMJL-AWEZNQCLSA-N 1 1 410.436 4.135 50 0 HIAAMO CCOc1cc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC(F)F ZINC000026454593 569031886 /nfs/dbraw/zinc/03/18/86/569031886.db2.gz RIAHNEGSYMPMJL-AWEZNQCLSA-N 1 1 410.436 4.135 50 0 HIAAMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccccc1Cl)c1csc2ccccc21 ZINC000575621557 569038909 /nfs/dbraw/zinc/03/89/09/569038909.db2.gz POXHHWMWYBPXFR-GOSISDBHSA-N 1 1 408.976 4.277 50 0 HIAAMO C[C@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000013001886 569049224 /nfs/dbraw/zinc/04/92/24/569049224.db2.gz UJGHZLPVKRBIMZ-MAUKXSAKSA-N 1 1 421.335 4.153 50 0 HIAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(F)cc1)C1CC1 ZINC000035840506 569062347 /nfs/dbraw/zinc/06/23/47/569062347.db2.gz PTETVIUBFVCMPW-DEOSSOPVSA-N 1 1 408.517 4.388 50 0 HIAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036096140 569089710 /nfs/dbraw/zinc/08/97/10/569089710.db2.gz AJBCWJOBJFYYIJ-NRFANRHFSA-N 1 1 401.547 4.300 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COc2ccccc2)cc1OC ZINC000036095756 569090062 /nfs/dbraw/zinc/09/00/62/569090062.db2.gz QSMPTBAAZGPIAG-JOCHJYFZSA-N 1 1 407.510 4.146 50 0 HIAAMO Cc1cc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801030 569096916 /nfs/dbraw/zinc/09/69/16/569096916.db2.gz ZXTLEWHCPGRXCP-UHFFFAOYSA-N 1 1 417.513 4.234 50 0 HIAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@@H](O)Cc3ccccc3)n2)cc1 ZINC000036147364 569098526 /nfs/dbraw/zinc/09/85/26/569098526.db2.gz DEDDODFMWLIOAP-QFIPXVFZSA-N 1 1 417.509 4.286 50 0 HIAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CCC(C)C)C[C@@H](C)O)nc(=O)c23)c(C)c1 ZINC000036207974 569109859 /nfs/dbraw/zinc/10/98/59/569109859.db2.gz XZQYJPKNGNXHOJ-QGZVFWFLSA-N 1 1 413.587 4.497 50 0 HIAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CCC(C)C)C[C@@H](C)O)nc(=O)c23)c(C)c1 ZINC000036207974 569109861 /nfs/dbraw/zinc/10/98/61/569109861.db2.gz XZQYJPKNGNXHOJ-QGZVFWFLSA-N 1 1 413.587 4.497 50 0 HIAAMO COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCCCC2)c(OC)c1 ZINC000036343417 569142893 /nfs/dbraw/zinc/14/28/93/569142893.db2.gz KXCNSMBISVZQCF-HSZRJFAPSA-N 1 1 421.541 4.176 50 0 HIAAMO CSc1ccc(CNC(=O)c2[nH]c3cc(C)sc3c2C[NH+]2CCOCC2)cc1 ZINC000065139083 569183828 /nfs/dbraw/zinc/18/38/28/569183828.db2.gz OOXMXZWFPYCLQD-UHFFFAOYSA-N 1 1 415.584 4.022 50 0 HIAAMO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000036448828 569184245 /nfs/dbraw/zinc/18/42/45/569184245.db2.gz MXTVGGGWSQIPFH-KNQAVFIVSA-N 1 1 408.542 4.479 50 0 HIAAMO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1C ZINC000036448828 569184246 /nfs/dbraw/zinc/18/42/46/569184246.db2.gz MXTVGGGWSQIPFH-KNQAVFIVSA-N 1 1 408.542 4.479 50 0 HIAAMO CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 ZINC000065184162 569191253 /nfs/dbraw/zinc/19/12/53/569191253.db2.gz OJIUCSRLMGHEJW-UHFFFAOYSA-N 1 1 408.477 4.256 50 0 HIAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)nn2)CC1 ZINC000013611610 569256670 /nfs/dbraw/zinc/25/66/70/569256670.db2.gz HMSORNSIOFAGHN-UHFFFAOYSA-N 1 1 422.920 4.193 50 0 HIAAMO Cc1nc(-c2cccc(C(=O)NCC[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)c2)no1 ZINC000089718489 569263099 /nfs/dbraw/zinc/26/30/99/569263099.db2.gz AGCINDKGGXKNOT-PXNSSMCTSA-N 1 1 404.514 4.076 50 0 HIAAMO COc1ccccc1OCCC(=O)N(C)[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000252517782 569292261 /nfs/dbraw/zinc/29/22/61/569292261.db2.gz RCHNPYXQXLBOJO-FZWXVRBQSA-N 1 1 410.558 4.079 50 0 HIAAMO CC[N@@H+](CC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000007738030 569305604 /nfs/dbraw/zinc/30/56/04/569305604.db2.gz NAJXIWIPPMARMZ-JOCHJYFZSA-N 1 1 416.521 4.054 50 0 HIAAMO CC[N@H+](CC(=O)NC(c1ccccc1)c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000007738030 569305605 /nfs/dbraw/zinc/30/56/05/569305605.db2.gz NAJXIWIPPMARMZ-JOCHJYFZSA-N 1 1 416.521 4.054 50 0 HIAAMO C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(C[C@@H]2CCCC2=O)cc1 ZINC000253398124 569365380 /nfs/dbraw/zinc/36/53/80/569365380.db2.gz BYGRKFHIDXVJAJ-QLBRKBSLSA-N 1 1 410.602 4.425 50 0 HIAAMO CCc1ccccc1NC(=O)CSc1nnc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)o1 ZINC000002367730 569388136 /nfs/dbraw/zinc/38/81/36/569388136.db2.gz XAUUTNFGQJPIER-KRWDZBQOSA-N 1 1 421.526 4.087 50 0 aggregator HIAAMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cccs3)no2)cc1 ZINC000079026600 569424861 /nfs/dbraw/zinc/42/48/61/569424861.db2.gz QTYUJCXQWPRRMG-OAHLLOKOSA-N 1 1 421.526 4.492 50 0 HIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3nc(C(C)C)cs3)C2)cc1OC ZINC000019732618 569429437 /nfs/dbraw/zinc/42/94/37/569429437.db2.gz GLUOBVSCVUBJOQ-IBGZPJMESA-N 1 1 417.619 4.423 50 0 HIAAMO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1C[N@H+](C)C1CCN(C)CC1 ZINC000008717247 571105411 /nfs/dbraw/zinc/10/54/11/571105411.db2.gz TZSALOZOWPFONE-UHFFFAOYSA-N 1 1 405.542 4.354 50 0 HIAAMO Cc1[nH]c2ccc(OCc3ccccc3)cc2c(=O)c1CN(C)C1CC[NH+](C)CC1 ZINC000008717247 571105412 /nfs/dbraw/zinc/10/54/12/571105412.db2.gz TZSALOZOWPFONE-UHFFFAOYSA-N 1 1 405.542 4.354 50 0 HIAAMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000040149680 571196909 /nfs/dbraw/zinc/19/69/09/571196909.db2.gz GIJTWJLVMSKPMH-UHFFFAOYSA-N 1 1 405.420 4.108 50 0 HIAAMO O=C(CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccnn1C1CCCC1 ZINC000040154728 571202034 /nfs/dbraw/zinc/20/20/34/571202034.db2.gz ORRJUGAZRREGSN-LJQANCHMSA-N 1 1 402.926 4.054 50 0 HIAAMO O=C(CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccnn1C1CCCC1 ZINC000040154728 571202037 /nfs/dbraw/zinc/20/20/37/571202037.db2.gz ORRJUGAZRREGSN-LJQANCHMSA-N 1 1 402.926 4.054 50 0 HIAAMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000245276330 571222144 /nfs/dbraw/zinc/22/21/44/571222144.db2.gz SUXNLXCDPSSYAD-NHCUHLMSSA-N 1 1 406.979 4.452 50 0 HIAAMO C[C@@H]1CCCN(c2cc(C(=O)NCCC[N@H+]3CCCC[C@H]3C)c3ccccc3n2)C1 ZINC000245327983 571225324 /nfs/dbraw/zinc/22/53/24/571225324.db2.gz MHNOAWVWPPNNEH-WOJBJXKFSA-N 1 1 408.590 4.465 50 0 HIAAMO Clc1ccc(-c2cc3ncnc(N4CC[NH+](C[C@H]5CCCO5)CC4)c3s2)cc1 ZINC000008132626 721917666 /nfs/dbraw/zinc/91/76/66/721917666.db2.gz UDXUQRZEJCBLKH-QGZVFWFLSA-N 1 1 414.962 4.313 50 0 HIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)cc1Cl ZINC000011661389 845823115 /nfs/dbraw/zinc/82/31/15/845823115.db2.gz CGTIOFLRJCELMF-HNNXBMFYSA-N 1 1 406.910 4.065 50 0 HIAAMO CCCn1cc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c(C)n1 ZINC000011950121 845843124 /nfs/dbraw/zinc/84/31/24/845843124.db2.gz SWIXBWMPWDOCQB-HSZRJFAPSA-N 1 1 402.533 4.368 50 0 HIAAMO COc1cccc(C[C@@]2(CO)CCC[N@H+](Cc3nccn3-c3cccc(C)c3)C2)c1 ZINC000012299624 845866197 /nfs/dbraw/zinc/86/61/97/845866197.db2.gz YKXMAZRNQBMALT-VWLOTQADSA-N 1 1 405.542 4.007 50 0 HIAAMO COc1cccc(C[C@@]2(CO)CCC[N@@H+](Cc3nccn3-c3cccc(C)c3)C2)c1 ZINC000012299624 845866198 /nfs/dbraw/zinc/86/61/98/845866198.db2.gz YKXMAZRNQBMALT-VWLOTQADSA-N 1 1 405.542 4.007 50 0 HIAAMO CCOC(=O)C1(CC2CC2)CC[NH+](Cc2cnc(-c3ccc(OC)cc3)nc2)CC1 ZINC000012711745 845885095 /nfs/dbraw/zinc/88/50/95/845885095.db2.gz SUIYPNDQIIYCKZ-UHFFFAOYSA-N 1 1 409.530 4.098 50 0 HIAAMO Cn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1 ZINC000012716203 845885241 /nfs/dbraw/zinc/88/52/41/845885241.db2.gz ACEBDVMGZIEHJD-NRFANRHFSA-N 1 1 413.525 4.419 50 0 HIAAMO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014531560 845956623 /nfs/dbraw/zinc/95/66/23/845956623.db2.gz YFIWTWAIMSIIBB-FCHUYYIVSA-N 1 1 424.560 4.444 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2c3ccccc3-c3ccccc32)c(=O)[nH]1 ZINC000014882627 845989685 /nfs/dbraw/zinc/98/96/85/845989685.db2.gz WMMSTZBOIXIDCH-QGZVFWFLSA-N 1 1 413.521 4.249 50 0 HIAAMO COc1cccc2c1OCCC[N@H+]([C@H]1CCC(=O)N(Cc3cccc(C)c3)CC1)C2 ZINC000014993084 845996919 /nfs/dbraw/zinc/99/69/19/845996919.db2.gz MXAFASFPWHEKOP-QFIPXVFZSA-N 1 1 408.542 4.169 50 0 HIAAMO Cc1nn(C)cc1C[N@@H+](C)[C@@H](Cc1ccccc1)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000019334601 846362967 /nfs/dbraw/zinc/36/29/67/846362967.db2.gz NSXDJHIHWXUXJL-VWLOTQADSA-N 1 1 420.601 4.121 50 0 HIAAMO CC(=O)Nc1ccc2nc(CN3CCC[C@@H]([N@H+]4CCc5ccccc5C4)C3)ccc2c1 ZINC000019853034 846374092 /nfs/dbraw/zinc/37/40/92/846374092.db2.gz FYXMZDNHWMCUHD-RUZDIDTESA-N 1 1 414.553 4.216 50 0 HIAAMO CC(=O)Nc1ccc2nc(C[N@@H+]3CCC[C@@H](N4CCc5ccccc5C4)C3)ccc2c1 ZINC000019853034 846374103 /nfs/dbraw/zinc/37/41/03/846374103.db2.gz FYXMZDNHWMCUHD-RUZDIDTESA-N 1 1 414.553 4.216 50 0 HIAAMO CC(=O)Nc1ccc2nc(C[N@H+]3CCC[C@@H](N4CCc5ccccc5C4)C3)ccc2c1 ZINC000019853034 846374115 /nfs/dbraw/zinc/37/41/15/846374115.db2.gz FYXMZDNHWMCUHD-RUZDIDTESA-N 1 1 414.553 4.216 50 0 HIAAMO COc1cc2c(cc1OC)CN([C@@H]1CCC[N@@H+](Cc3cccc4cccnc43)C1)CC2 ZINC000020542339 846385124 /nfs/dbraw/zinc/38/51/24/846385124.db2.gz WEZNTJKRKHADMQ-HSZRJFAPSA-N 1 1 417.553 4.275 50 0 HIAAMO COc1cccc(-c2nc(C[NH+]3CCC([C@@H](O)c4cccnc4)CC3)c(C)o2)c1OC ZINC000020878177 846392448 /nfs/dbraw/zinc/39/24/48/846392448.db2.gz ZSUDQDKORAVXJA-JOCHJYFZSA-N 1 1 423.513 4.008 50 0 HIAAMO C[N@@H+](C1CCN(Cc2ccccn2)CC1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000020914608 846395064 /nfs/dbraw/zinc/39/50/64/846395064.db2.gz SVQNZGNDCLMEGY-SANMLTNESA-N 1 1 406.618 4.075 50 0 HIAAMO O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000033018786 848100828 /nfs/dbraw/zinc/10/08/28/848100828.db2.gz PEVKUPBDMBMFKA-PDGUBNMISA-N 1 1 421.368 4.064 50 0 HIAAMO COc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226299 849989083 /nfs/dbraw/zinc/98/90/83/849989083.db2.gz DAVPVVFUANJKSV-HXUWFJFHSA-N 1 1 402.966 4.441 50 0 HIAAMO CC1CCN(C(=O)c2ccccc2OC[C@H]2CCC[N@@H+](Cc3ccccn3)C2)CC1 ZINC000169775428 853662709 /nfs/dbraw/zinc/66/27/09/853662709.db2.gz 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HIAAMO O=C(Nc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1)c1ccc(F)cc1 ZINC000032913848 527329385 /nfs/dbraw/zinc/32/93/85/527329385.db2.gz WYLRIBBPDNRVOD-HSZRJFAPSA-N 1 1 417.484 4.082 50 0 HIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000008157011 536937546 /nfs/dbraw/zinc/93/75/46/536937546.db2.gz AUHAVCHHSNLZKI-XMMPIXPASA-N 1 1 423.557 4.088 50 0 HIAAMO COc1ccc(CC[N@@H+](C)CCCOc2nsc(-c3ccccc3)n2)cc1OC ZINC000001545352 557271779 /nfs/dbraw/zinc/27/17/79/557271779.db2.gz RHJGWXNLFGHPHA-UHFFFAOYSA-N 1 1 413.543 4.166 50 0 in-vivo HIAAMO CN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000034668368 557362129 /nfs/dbraw/zinc/36/21/29/557362129.db2.gz QVIZKFPERRLGNC-UHFFFAOYSA-N 1 1 417.528 4.420 50 0 HIAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000002734536 557373617 /nfs/dbraw/zinc/37/36/17/557373617.db2.gz OFOHOYJTDCSGDL-LJQANCHMSA-N 1 1 401.348 4.320 50 0 HIAAMO CCc1ccc2[nH+]cc(C(=O)c3ccc(C)c(C)c3)c(N3CCC(C(N)=O)CC3)c2c1 ZINC000034868206 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O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019901732 558305103 /nfs/dbraw/zinc/30/51/03/558305103.db2.gz OPJGODMLQJKCLH-QGZVFWFLSA-N 1 1 415.748 4.209 50 0 HIAAMO CCC[N@@H+]1CCc2c(sc3nc(SCC)n(-c4ccc(OC)cc4)c(=O)c32)C1 ZINC000019939939 558313745 /nfs/dbraw/zinc/31/37/45/558313745.db2.gz ZGECVPGFKQEVJT-UHFFFAOYSA-N 1 1 415.584 4.336 50 0 HIAAMO CCC[N@H+]1CCc2c(sc3nc(SCC)n(-c4ccc(OC)cc4)c(=O)c32)C1 ZINC000019939939 558313746 /nfs/dbraw/zinc/31/37/46/558313746.db2.gz ZGECVPGFKQEVJT-UHFFFAOYSA-N 1 1 415.584 4.336 50 0 HIAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012055971 558315955 /nfs/dbraw/zinc/31/59/55/558315955.db2.gz JHXXUHUANQWNOC-CQSZACIVSA-N 1 1 420.893 4.340 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cc2c1OCO2 ZINC000012057672 558316627 /nfs/dbraw/zinc/31/66/27/558316627.db2.gz LDTINLLFKAYLSY-MRXNPFEDSA-N 1 1 401.890 4.481 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)cc2c1OCO2 ZINC000012057672 558316630 /nfs/dbraw/zinc/31/66/30/558316630.db2.gz LDTINLLFKAYLSY-MRXNPFEDSA-N 1 1 401.890 4.481 50 0 HIAAMO Cc1nc(C)c(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)s1 ZINC000012194136 558348818 /nfs/dbraw/zinc/34/88/18/558348818.db2.gz QUAHAKDFMSVKNB-IBGZPJMESA-N 1 1 420.022 4.369 50 0 HIAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000012195357 558349364 /nfs/dbraw/zinc/34/93/64/558349364.db2.gz OZMATVJWVIWYFT-HXUWFJFHSA-N 1 1 418.541 4.429 50 0 HIAAMO CCn1ccnc1C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2-c2ccc(OC)cc2)C1 ZINC000012195357 558349366 /nfs/dbraw/zinc/34/93/66/558349366.db2.gz OZMATVJWVIWYFT-HXUWFJFHSA-N 1 1 418.541 4.429 50 0 HIAAMO FC(F)(F)Oc1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000012282090 558365434 /nfs/dbraw/zinc/36/54/34/558365434.db2.gz ZHVQKCNVRRYWBB-UHFFFAOYSA-N 1 1 416.447 4.020 50 0 HIAAMO C[N@H+]1CCC[C@H](CN(CCc2ccccc2)C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000012303757 558372994 /nfs/dbraw/zinc/37/29/94/558372994.db2.gz RNWXKQJMVLUZJO-NRFANRHFSA-N 1 1 403.526 4.368 50 0 HIAAMO CCOc1cc2c(cc1OCC)[C@@H](c1cc3c(cc1Br)OCO3)[NH2+]CC2 ZINC000020506832 558381694 /nfs/dbraw/zinc/38/16/94/558381694.db2.gz IFETVFFAKLWDOT-FQEVSTJZSA-N 1 1 420.303 4.210 50 0 HIAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012441829 558412305 /nfs/dbraw/zinc/41/23/05/558412305.db2.gz AIUFAJBJLXMSFE-FQEVSTJZSA-N 1 1 402.542 4.038 50 0 HIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](CCCn3cccn3)C2)cc1Cl ZINC000012475456 558422573 /nfs/dbraw/zinc/42/25/73/558422573.db2.gz UJDSDTADWYWSLA-QGZVFWFLSA-N 1 1 404.942 4.066 50 0 HIAAMO O=C(NC[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)c1cccc(C(F)(F)F)c1 ZINC000012475279 558422614 /nfs/dbraw/zinc/42/26/14/558422614.db2.gz KENNJYJLVFGBOM-MRXNPFEDSA-N 1 1 402.460 4.315 50 0 HIAAMO Cc1cccc(-n2cc(C[N@H+](C)CCc3cnn(C)c3)c(-c3cccc(F)c3)n2)c1 ZINC000020993724 558426482 /nfs/dbraw/zinc/42/64/82/558426482.db2.gz RPTOQGNPVSJRDC-UHFFFAOYSA-N 1 1 403.505 4.395 50 0 HIAAMO O=S(=O)(Cc1ccccc1)NC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 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OC[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000012747522 558458469 /nfs/dbraw/zinc/45/84/69/558458469.db2.gz JZQZGGCKFPQMAF-QFIPXVFZSA-N 1 1 403.906 4.112 50 0 HIAAMO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012798807 558470649 /nfs/dbraw/zinc/47/06/49/558470649.db2.gz AVOWQVMEVISWRV-PGRDOPGGSA-N 1 1 408.542 4.425 50 0 HIAAMO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012798807 558470650 /nfs/dbraw/zinc/47/06/50/558470650.db2.gz AVOWQVMEVISWRV-PGRDOPGGSA-N 1 1 408.542 4.425 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N[C@@H]1CCCc2ccccc21 ZINC000013118024 558516752 /nfs/dbraw/zinc/51/67/52/558516752.db2.gz LTLLLRKIXWMODK-YADHBBJMSA-N 1 1 406.526 4.179 50 0 HIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)N[C@@H]1CCCc2ccccc21 ZINC000013118024 558516753 /nfs/dbraw/zinc/51/67/53/558516753.db2.gz LTLLLRKIXWMODK-YADHBBJMSA-N 1 1 406.526 4.179 50 0 HIAAMO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)c1 ZINC000024674701 558607202 /nfs/dbraw/zinc/60/72/02/558607202.db2.gz ZBWFCFLHTKHUKH-IBGZPJMESA-N 1 1 407.558 4.408 50 0 HIAAMO Cc1nccc(-c2cccc(NC(=O)c3ccc(C[NH+]4C[C@H](C)O[C@@H](C)C4)cc3)c2)n1 ZINC000025129342 558632291 /nfs/dbraw/zinc/63/22/91/558632291.db2.gz SAWFZYUJYJYTDG-ROUUACIJSA-N 1 1 416.525 4.314 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cccc(F)c1 ZINC000014880573 558675890 /nfs/dbraw/zinc/67/58/90/558675890.db2.gz MSOWIBRZDWEQLQ-GOSISDBHSA-N 1 1 414.521 4.265 50 0 HIAAMO COc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027664273 558679522 /nfs/dbraw/zinc/67/95/22/558679522.db2.gz UMUXOZDSWMSUFG-NRFANRHFSA-N 1 1 402.922 4.071 50 0 HIAAMO COc1cccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)c1 ZINC000014960483 558683939 /nfs/dbraw/zinc/68/39/39/558683939.db2.gz DLZGZROJEPHKFW-HXUWFJFHSA-N 1 1 408.542 4.206 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971649 558687443 /nfs/dbraw/zinc/68/74/43/558687443.db2.gz QOFXMZAVCRDHRM-JOCHJYFZSA-N 1 1 412.574 4.099 50 0 HIAAMO Cc1cc(C)c2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028289035 558695716 /nfs/dbraw/zinc/69/57/16/558695716.db2.gz INJWXRGOBDMBES-SFHVURJKSA-N 1 1 410.539 4.428 50 0 HIAAMO Cc1cc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)cc(=O)c2cc1Cl ZINC000028289508 558696218 /nfs/dbraw/zinc/69/62/18/558696218.db2.gz SMWISKBATHJZEW-MRXNPFEDSA-N 1 1 416.930 4.383 50 0 HIAAMO CC[NH+]1CCN(C2(CNC(=O)C(c3ccccc3)c3ccccc3)CCCCC2)CC1 ZINC000028293544 558698488 /nfs/dbraw/zinc/69/84/88/558698488.db2.gz HFBLFFRCIZERBV-UHFFFAOYSA-N 1 1 419.613 4.275 50 0 HIAAMO O=C(NCCCOC1CCCCC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000070039653 558704710 /nfs/dbraw/zinc/70/47/10/558704710.db2.gz VOAJODMOURJQCW-UHFFFAOYSA-N 1 1 407.986 4.297 50 0 HIAAMO O=C(NCCCOC1CCCCC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000070039653 558704714 /nfs/dbraw/zinc/70/47/14/558704714.db2.gz VOAJODMOURJQCW-UHFFFAOYSA-N 1 1 407.986 4.297 50 0 HIAAMO CCCN1CCC([NH+]2CCC(C(=O)Nc3cccc(-c4cscn4)c3)CC2)CC1 ZINC000015063816 558706473 /nfs/dbraw/zinc/70/64/73/558706473.db2.gz QHGIHAVFPZSKMN-UHFFFAOYSA-N 1 1 412.603 4.335 50 0 HIAAMO CCOC(=O)[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000015065905 558708890 /nfs/dbraw/zinc/70/88/90/558708890.db2.gz URMIJFLANRKXHR-DEOSSOPVSA-N 1 1 413.514 4.015 50 0 HIAAMO O=C1CC[N@H+](Cc2ccc3ccccc3c2)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000015067798 558710733 /nfs/dbraw/zinc/71/07/33/558710733.db2.gz LAKWDKFFSUDTFO-UHFFFAOYSA-N 1 1 422.912 4.456 50 0 HIAAMO C[C@H](c1ccncn1)[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015069715 558711898 /nfs/dbraw/zinc/71/18/98/558711898.db2.gz ROZWYSFPNUWCES-QGZVFWFLSA-N 1 1 413.481 4.251 50 0 HIAAMO C[C@H](c1ccncn1)[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000015069715 558711900 /nfs/dbraw/zinc/71/19/00/558711900.db2.gz ROZWYSFPNUWCES-QGZVFWFLSA-N 1 1 413.481 4.251 50 0 HIAAMO O=C(c1ccc(F)c(F)c1)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000015075225 558715860 /nfs/dbraw/zinc/71/58/60/558715860.db2.gz PNQGHDGBWUFNMF-JOCHJYFZSA-N 1 1 406.423 4.371 50 0 HIAAMO O=C(c1ccc(F)c(F)c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000015075225 558715863 /nfs/dbraw/zinc/71/58/63/558715863.db2.gz PNQGHDGBWUFNMF-JOCHJYFZSA-N 1 1 406.423 4.371 50 0 HIAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)NCc2cccc(OC)c2)C1 ZINC000015079954 558718457 /nfs/dbraw/zinc/71/84/57/558718457.db2.gz DXQVHKXSVBDLDS-FQEVSTJZSA-N 1 1 410.558 4.403 50 0 HIAAMO C[C@@H]1CCc2onc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2C1 ZINC000015726850 558750840 /nfs/dbraw/zinc/75/08/40/558750840.db2.gz WTANSUGXXWCZNX-LJQANCHMSA-N 1 1 415.537 4.347 50 0 HIAAMO COC(=O)c1ccc2c(c1)nc(C[NH2+][C@@H](C)c1ccc(-c3ccccc3)cc1)[nH]c2=O ZINC000016685205 558799811 /nfs/dbraw/zinc/79/98/11/558799811.db2.gz SSOWQRLMGWTHPT-INIZCTEOSA-N 1 1 413.477 4.228 50 0 HIAAMO C[N@@H+](CCCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21)Cc1ccccc1 ZINC000033072242 558866712 /nfs/dbraw/zinc/86/67/12/558866712.db2.gz JRNHGGVVEFZMOH-UHFFFAOYSA-N 1 1 409.440 4.497 50 0 HIAAMO C[N@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)Cc1cccc2cnccc21 ZINC000055227953 558877005 /nfs/dbraw/zinc/87/70/05/558877005.db2.gz MPTPBBRFBYLORS-UHFFFAOYSA-N 1 1 419.554 4.202 50 0 HIAAMO C[N@@H+](Cc1c(C(=O)N2CCCCC2)nc2sccn12)Cc1cccc2cnccc21 ZINC000055227953 558877008 /nfs/dbraw/zinc/87/70/08/558877008.db2.gz MPTPBBRFBYLORS-UHFFFAOYSA-N 1 1 419.554 4.202 50 0 HIAAMO COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000057254377 558888007 /nfs/dbraw/zinc/88/80/07/558888007.db2.gz VXIRMUKFRQPTHR-UHFFFAOYSA-N 1 1 419.500 4.409 50 0 HIAAMO O=C(/C=C/c1ccco1)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000057251192 558888062 /nfs/dbraw/zinc/88/80/62/558888062.db2.gz OQRSNPGFUCTBND-VAWYXSNFSA-N 1 1 405.473 4.393 50 0 HIAAMO CCC[NH+]1CCN(C(=O)c2ccc(Sc3ccc(C)cc3)c(NC(C)=O)c2)CC1 ZINC000004686620 558895880 /nfs/dbraw/zinc/89/58/80/558895880.db2.gz UWCGPLAUQUOWQF-UHFFFAOYSA-N 1 1 411.571 4.272 50 0 HIAAMO C[C@H](c1ccccn1)N(C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000071278808 558896514 /nfs/dbraw/zinc/89/65/14/558896514.db2.gz IWHOEDRXXYPNRO-LJQANCHMSA-N 1 1 418.541 4.358 50 0 HIAAMO Cn1cc(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000058266028 558915623 /nfs/dbraw/zinc/91/56/23/558915623.db2.gz HEXSWHMYDFGHMM-DQEYMECFSA-N 1 1 401.554 4.376 50 0 HIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1sc2ncccc2c1-n1cccc1 ZINC000033059861 558954031 /nfs/dbraw/zinc/95/40/31/558954031.db2.gz QHRPNVBASOHMGM-UHFFFAOYSA-N 1 1 416.550 4.265 50 0 HIAAMO [NH3+]C[C@@H]1CCCN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072448243 558982668 /nfs/dbraw/zinc/98/26/68/558982668.db2.gz BZAQCYFGZVLSFU-HNNXBMFYSA-N 1 1 409.917 4.455 50 0 HIAAMO Cc1nc(C[NH+]2CCC3(CN(C[C@@H](C)c4ccccc4)C(=O)O3)CC2)c2ccccn12 ZINC000072468276 558983343 /nfs/dbraw/zinc/98/33/43/558983343.db2.gz MICLWQKGXVSNAZ-LJQANCHMSA-N 1 1 418.541 4.233 50 0 HIAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(O)cc3)cc2)n1 ZINC000067604643 558988596 /nfs/dbraw/zinc/98/85/96/558988596.db2.gz XULJDFZRIXDKGF-QHCPKHFHSA-N 1 1 404.514 4.188 50 0 HIAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(O)cc3)cc2)n1 ZINC000067604643 558988598 /nfs/dbraw/zinc/98/85/98/558988598.db2.gz XULJDFZRIXDKGF-QHCPKHFHSA-N 1 1 404.514 4.188 50 0 HIAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](CNC(=O)c4ccc(F)cc4)C3)c2)n1 ZINC000076915971 558997980 /nfs/dbraw/zinc/99/79/80/558997980.db2.gz SSJIGCIYPKPPOK-NRFANRHFSA-N 1 1 420.532 4.270 50 0 HIAAMO CC(C)CC(=O)N[C@@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181429 559031366 /nfs/dbraw/zinc/03/13/66/559031366.db2.gz MOMOJKDNACVRLR-HTAPYJJXSA-N 1 1 403.567 4.301 50 0 HIAAMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287950 559049187 /nfs/dbraw/zinc/04/91/87/559049187.db2.gz DTTJTIUDHUUWSZ-DYESRHJHSA-N 1 1 412.505 4.344 50 0 HIAAMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287950 559049189 /nfs/dbraw/zinc/04/91/89/559049189.db2.gz DTTJTIUDHUUWSZ-DYESRHJHSA-N 1 1 412.505 4.344 50 0 HIAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000011343377 559057515 /nfs/dbraw/zinc/05/75/15/559057515.db2.gz LVQGJEPHMUDWSP-MRXNPFEDSA-N 1 1 418.522 4.201 50 0 HIAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)Cc1cc(=O)n2ccsc2n1 ZINC000011343377 559057517 /nfs/dbraw/zinc/05/75/17/559057517.db2.gz LVQGJEPHMUDWSP-MRXNPFEDSA-N 1 1 418.522 4.201 50 0 HIAAMO CC[N@@H+](Cc1ccc(OCc2ccccc2)cc1)Cc1cc(=O)n2ccsc2n1 ZINC000011351230 559060643 /nfs/dbraw/zinc/06/06/43/559060643.db2.gz FLPSQNSGCCMFAO-UHFFFAOYSA-N 1 1 405.523 4.357 50 0 HIAAMO Cc1ccc2oc(=O)c3cc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)sc3c2c1 ZINC000004939371 559211790 /nfs/dbraw/zinc/21/17/90/559211790.db2.gz MEBPZAHNEDCGEF-IYBDPMFKSA-N 1 1 412.555 4.414 50 0 HIAAMO Cn1c2ccccc2c2sc(C(=O)NCCC[N@@H+](C)Cc3ccccc3)cc2c1=O ZINC000005022396 559229567 /nfs/dbraw/zinc/22/95/67/559229567.db2.gz ZCNIHAAXEJQLPY-UHFFFAOYSA-N 1 1 419.550 4.005 50 0 HIAAMO CCOCCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000005056249 559237660 /nfs/dbraw/zinc/23/76/60/559237660.db2.gz LNSOMTUGVCWUAB-SFHVURJKSA-N 1 1 419.953 4.058 50 0 HIAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(c2nc3c(cc(C)cc3C)s2)CC1 ZINC000005107408 559246151 /nfs/dbraw/zinc/24/61/51/559246151.db2.gz VFDMKELLDNUZQA-UHFFFAOYSA-N 1 1 416.635 4.368 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)c1ccccc1S2 ZINC000005132214 559249542 /nfs/dbraw/zinc/24/95/42/559249542.db2.gz WOKXFRBYWKPJME-INIZCTEOSA-N 1 1 409.555 4.398 50 0 HIAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000248252436 559269392 /nfs/dbraw/zinc/26/93/92/559269392.db2.gz QGZUIRGMRFSERW-MOPGFXCFSA-N 1 1 400.544 4.266 50 0 HIAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000248252436 559269393 /nfs/dbraw/zinc/26/93/93/559269393.db2.gz QGZUIRGMRFSERW-MOPGFXCFSA-N 1 1 400.544 4.266 50 0 HIAAMO O=C(c1c[nH]c(=O)c(Cl)c1)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000426433664 559271408 /nfs/dbraw/zinc/27/14/08/559271408.db2.gz OFPFMWSBJZQBKX-JOCHJYFZSA-N 1 1 405.970 4.339 50 0 HIAAMO O=C(c1c[nH]nc1-c1ccccc1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426536588 559274606 /nfs/dbraw/zinc/27/46/06/559274606.db2.gz YSBCQSHPPJFRAO-SANMLTNESA-N 1 1 414.553 4.248 50 0 HIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2)ccc1O ZINC000245327352 560037256 /nfs/dbraw/zinc/03/72/56/560037256.db2.gz OOBKXEZQNMWNQR-AMDXRBSFSA-N 1 1 424.541 4.016 50 0 biogenic,in-vitro HIAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)ccc1O ZINC000245327352 560037258 /nfs/dbraw/zinc/03/72/58/560037258.db2.gz OOBKXEZQNMWNQR-AMDXRBSFSA-N 1 1 424.541 4.016 50 0 biogenic,in-vitro HIAAMO CN1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Cl)cc2)CC1 ZINC000101214015 560790020 /nfs/dbraw/zinc/79/00/20/560790020.db2.gz RINDZZJUJBECOH-UHFFFAOYSA-N 1 1 423.051 4.238 50 0 HIAAMO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907692 568416049 /nfs/dbraw/zinc/41/60/49/568416049.db2.gz AQPXIBCQFZCZCL-QFIPXVFZSA-N 1 1 406.551 4.215 50 0 HIAAMO COc1ccc(CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907692 568416050 /nfs/dbraw/zinc/41/60/50/568416050.db2.gz AQPXIBCQFZCZCL-QFIPXVFZSA-N 1 1 406.551 4.215 50 0 HIAAMO C[C@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715764 568430855 /nfs/dbraw/zinc/43/08/55/568430855.db2.gz LDOIETSPTNBDSV-AWEZNQCLSA-N 1 1 408.876 4.166 50 0 HIAAMO CCc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000049403391 568448314 /nfs/dbraw/zinc/44/83/14/568448314.db2.gz YFWLNHIHBAWVNY-UHFFFAOYSA-N 1 1 408.477 4.256 50 0 HIAAMO CCc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(OC)cc4)no3)CC2)c1 ZINC000049403447 568448351 /nfs/dbraw/zinc/44/83/51/568448351.db2.gz GPDSFYIBLNRTIN-UHFFFAOYSA-N 1 1 420.513 4.126 50 0 HIAAMO COc1ccc2c(c1OC)OC1(CC[NH+](Cc3ccc(Cl)cc3)CC1)CC2=O ZINC000049597435 568452599 /nfs/dbraw/zinc/45/25/99/568452599.db2.gz CGMVUDPCCMHUAK-UHFFFAOYSA-N 1 1 401.890 4.357 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CC4=CCCCC4)C3)C2)c1OC ZINC000014980957 568581548 /nfs/dbraw/zinc/58/15/48/568581548.db2.gz KSHGIPCEWZZJPB-RUZDIDTESA-N 1 1 412.574 4.409 50 0 HIAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccccc1C(F)(F)F ZINC000020154010 568590879 /nfs/dbraw/zinc/59/08/79/568590879.db2.gz MHYGPMUVAJEIKS-UHFFFAOYSA-N 1 1 420.479 4.035 50 0 HIAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1 ZINC000020241832 568596116 /nfs/dbraw/zinc/59/61/16/568596116.db2.gz RRHLVUQAXIGZAI-UHFFFAOYSA-N 1 1 407.558 4.080 50 0 HIAAMO Fc1ccc(-c2nc3c(-c4ccccc4)cnn3cc2CC[NH+]2CCOCC2)cc1 ZINC000020365733 568601325 /nfs/dbraw/zinc/60/13/25/568601325.db2.gz FTIKQUKAOLGUET-UHFFFAOYSA-N 1 1 402.473 4.077 50 0 HIAAMO Cc1cc(CN2CC[NH+](CCSc3ccnc4cc(Cl)ccc43)CC2)on1 ZINC000095409012 568606510 /nfs/dbraw/zinc/60/65/10/568606510.db2.gz KVUJMOGLXRBCES-UHFFFAOYSA-N 1 1 402.951 4.095 50 0 HIAAMO CCC[C@@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020446948 568608548 /nfs/dbraw/zinc/60/85/48/568608548.db2.gz CJQXNOTYNXATLS-XZOQPEGZSA-N 1 1 403.950 4.452 50 0 HIAAMO C=C1C(NC2CC[NH+](Cc3ccccc3)CC2)=NS(=O)(=O)C1c1ccc(C)c(C)c1 ZINC000020900894 568649884 /nfs/dbraw/zinc/64/98/84/568649884.db2.gz CLSFMYRCKAZUIZ-UHFFFAOYSA-N 1 1 423.582 4.031 50 0 HIAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)Nc3ccc(Br)cc3)C2)cc1 ZINC000021175426 568676929 /nfs/dbraw/zinc/67/69/29/568676929.db2.gz NXXXZUNAABPZSL-KRWDZBQOSA-N 1 1 402.336 4.401 50 0 HIAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000229969369 568716409 /nfs/dbraw/zinc/71/64/09/568716409.db2.gz XZXUWSJDBXYPAI-POGFHVCPSA-N 1 1 417.553 4.289 50 0 HIAAMO COc1ccc(-c2noc(NCCC[N@H+]3CCN(c4cccc(C)c4)[C@@H](C)C3)n2)cc1 ZINC000021630502 568724949 /nfs/dbraw/zinc/72/49/49/568724949.db2.gz XTJDEKNWQQZCAF-IBGZPJMESA-N 1 1 421.545 4.066 50 0 HIAAMO CC(C)[N@@H+](C)CC(=O)N[C@H]1CC(C)(C)Oc2ccc(NC(=O)OC(C)(C)C)cc21 ZINC000239722552 568729761 /nfs/dbraw/zinc/72/97/61/568729761.db2.gz CDIIEGNIWFSKFO-KRWDZBQOSA-N 1 1 405.539 4.092 50 0 HIAAMO COc1ccc(-c2nnc(-c3cccnc3NCC[N@@H+](C)C3CCCCC3)o2)cc1 ZINC000096339080 568736679 /nfs/dbraw/zinc/73/66/79/568736679.db2.gz TVXYHQPKBXYHOU-UHFFFAOYSA-N 1 1 407.518 4.484 50 0 HIAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000057332260 568827056 /nfs/dbraw/zinc/82/70/56/568827056.db2.gz ARLPMDCDHSTAJR-INIZCTEOSA-N 1 1 421.472 4.376 50 0 HIAAMO COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000057383314 568830973 /nfs/dbraw/zinc/83/09/73/568830973.db2.gz HJFFZUKWFVRQOU-KRWDZBQOSA-N 1 1 403.482 4.237 50 0 HIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccc(F)cc2)s1 ZINC000029882288 568844359 /nfs/dbraw/zinc/84/43/59/568844359.db2.gz PAGZKGBMSZUEDX-UHFFFAOYSA-N 1 1 410.514 4.316 50 0 HIAAMO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@H](C)c2nc3ccc(C)cc3[nH]2)c1 ZINC000299755863 568872717 /nfs/dbraw/zinc/87/27/17/568872717.db2.gz DTZVPNPOJCTEJM-IEBWSBKVSA-N 1 1 406.530 4.112 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3Cl)nc2-c2ccc(C)cc2)CC1 ZINC000058148900 568892481 /nfs/dbraw/zinc/89/24/81/568892481.db2.gz DIXCQDLUKYNAOZ-UHFFFAOYSA-N 1 1 408.933 4.279 50 0 HIAAMO O=C(NCC[C@H](c1ccco1)c1ccc(F)cc1)C1([NH+]2CCOCC2)CCCCC1 ZINC000670449801 568925587 /nfs/dbraw/zinc/92/55/87/568925587.db2.gz QRPRXXGXNLGFDB-NRFANRHFSA-N 1 1 414.521 4.092 50 0 HIAAMO CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000004086899 568940609 /nfs/dbraw/zinc/94/06/09/568940609.db2.gz IFCKTBHLKGUGOU-UHFFFAOYSA-N 1 1 400.544 4.263 50 0 HIAAMO CCOC(=O)c1c(NC(=O)CCc2ccccc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000004086899 568940610 /nfs/dbraw/zinc/94/06/10/568940610.db2.gz IFCKTBHLKGUGOU-UHFFFAOYSA-N 1 1 400.544 4.263 50 0 HIAAMO Cc1ccc(-c2cnc(CCC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1C ZINC000012756242 568943154 /nfs/dbraw/zinc/94/31/54/568943154.db2.gz CLVGGEUWQXLGOJ-JOCHJYFZSA-N 1 1 403.526 4.282 50 0 HIAAMO C[C@@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1Cl ZINC000012763330 568946960 /nfs/dbraw/zinc/94/69/60/568946960.db2.gz GVHOCMFBZHMXKG-GFCCVEGCSA-N 1 1 423.826 4.229 50 0 HIAAMO CCOCc1cc(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000084802752 568960339 /nfs/dbraw/zinc/96/03/39/568960339.db2.gz GDMLVVKVVASSBM-PZJWPPBQSA-N 1 1 410.558 4.262 50 0 HIAAMO CCOCc1cc(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000084802757 568960375 /nfs/dbraw/zinc/96/03/75/568960375.db2.gz GDMLVVKVVASSBM-TZIWHRDSSA-N 1 1 410.558 4.262 50 0 HIAAMO C[N@@H+](CC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000007987941 568965567 /nfs/dbraw/zinc/96/55/67/568965567.db2.gz JRKLQUNXDPZLEE-HSZRJFAPSA-N 1 1 405.542 4.307 50 0 HIAAMO C[NH+](C)[C@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1Cl ZINC000012804034 568979588 /nfs/dbraw/zinc/97/95/88/568979588.db2.gz UKGHBCUMSFVKLD-LJQANCHMSA-N 1 1 415.896 4.486 50 0 HIAAMO CCOC(=O)c1ccc(-c2csc(NC(=O)C[N@H+](CC)Cc3ccccc3)n2)cc1 ZINC000008329166 568993061 /nfs/dbraw/zinc/99/30/61/568993061.db2.gz FKGCCCKPZUFYRF-UHFFFAOYSA-N 1 1 423.538 4.447 50 0 HIAAMO CCOC(=O)c1ccc(-c2csc(NC(=O)C[N@@H+](CC)Cc3ccccc3)n2)cc1 ZINC000008329166 568993063 /nfs/dbraw/zinc/99/30/63/568993063.db2.gz FKGCCCKPZUFYRF-UHFFFAOYSA-N 1 1 423.538 4.447 50 0 HIAAMO CCOc1ccccc1C[N@@H+]1CCc2nc(Nc3cc(OC)ccc3OC)ncc2C1 ZINC000015779099 569001764 /nfs/dbraw/zinc/00/17/64/569001764.db2.gz ZPSMULZZZGQKQF-UHFFFAOYSA-N 1 1 420.513 4.194 50 0 HIAAMO CCOc1ccccc1C[N@H+]1CCc2nc(Nc3cc(OC)ccc3OC)ncc2C1 ZINC000015779099 569001767 /nfs/dbraw/zinc/00/17/67/569001767.db2.gz ZPSMULZZZGQKQF-UHFFFAOYSA-N 1 1 420.513 4.194 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)c1 ZINC000006170290 569016283 /nfs/dbraw/zinc/01/62/83/569016283.db2.gz PVMCCDFMXMPZMI-SDUSCBPUSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)c1 ZINC000006170290 569016284 /nfs/dbraw/zinc/01/62/84/569016284.db2.gz PVMCCDFMXMPZMI-SDUSCBPUSA-N 1 1 424.541 4.011 50 0 HIAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000007377914 569031694 /nfs/dbraw/zinc/03/16/94/569031694.db2.gz VNAZXDUZUVMGBR-HSZRJFAPSA-N 1 1 404.466 4.284 50 0 HIAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991456 569074586 /nfs/dbraw/zinc/07/45/86/569074586.db2.gz SHAYIKSRTFVRKD-QHCPKHFHSA-N 1 1 421.541 4.030 50 0 HIAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@H]1c1cccc(C)c1 ZINC000035991456 569074587 /nfs/dbraw/zinc/07/45/87/569074587.db2.gz SHAYIKSRTFVRKD-QHCPKHFHSA-N 1 1 421.541 4.030 50 0 HIAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COCc2ccco2)c1 ZINC000036031955 569081153 /nfs/dbraw/zinc/08/11/53/569081153.db2.gz SMJFJQIWZAJRBF-QFIPXVFZSA-N 1 1 423.509 4.205 50 0 HIAAMO COc1ccc(C[N@H+](Cc2cccc(C)c2)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000036095326 569089934 /nfs/dbraw/zinc/08/99/34/569089934.db2.gz HPAFVNDHUOKFBS-QHCPKHFHSA-N 1 1 421.537 4.454 50 0 HIAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000064820215 569102505 /nfs/dbraw/zinc/10/25/05/569102505.db2.gz SJVDEBQOOUIFEV-LLVKDONJSA-N 1 1 412.353 4.078 50 0 HIAAMO CCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)CC(C)C ZINC000036208288 569109843 /nfs/dbraw/zinc/10/98/43/569109843.db2.gz LZVMLXRYDDYAAL-HXUWFJFHSA-N 1 1 403.567 4.043 50 0 HIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000169681303 569127370 /nfs/dbraw/zinc/12/73/70/569127370.db2.gz MNSBERTVXDNUAV-BJKOFHAPSA-N 1 1 410.558 4.386 50 0 HIAAMO C[N@@H+](CCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1)Cc1ccccc1 ZINC000064968142 569137887 /nfs/dbraw/zinc/13/78/87/569137887.db2.gz OMSFCOONZUABRW-UHFFFAOYSA-N 1 1 413.521 4.475 50 0 HIAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc4nc(C(C)C)oc4c3)CC2)c1C ZINC000064968405 569137962 /nfs/dbraw/zinc/13/79/62/569137962.db2.gz QLZGOPWXNQKAPZ-UHFFFAOYSA-N 1 1 420.557 4.120 50 0 HIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000036340912 569141466 /nfs/dbraw/zinc/14/14/66/569141466.db2.gz XJLXEHGFQDYUNH-QHCPKHFHSA-N 1 1 421.541 4.176 50 0 HIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000006871139 569161969 /nfs/dbraw/zinc/16/19/69/569161969.db2.gz MNSBERTVXDNUAV-RPWUZVMVSA-N 1 1 410.558 4.386 50 0 HIAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036406038 569174655 /nfs/dbraw/zinc/17/46/55/569174655.db2.gz DTTJTIUDHUUWSZ-UWJYYQICSA-N 1 1 412.505 4.344 50 0 HIAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000036406038 569174656 /nfs/dbraw/zinc/17/46/56/569174656.db2.gz DTTJTIUDHUUWSZ-UWJYYQICSA-N 1 1 412.505 4.344 50 0 HIAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000170599317 569242708 /nfs/dbraw/zinc/24/27/08/569242708.db2.gz NBISRCSIMOAJRK-HSZRJFAPSA-N 1 1 420.532 4.269 50 0 HIAAMO CC(C)[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@@H]1CCCC[C@@H]1O ZINC000089869657 569267580 /nfs/dbraw/zinc/26/75/80/569267580.db2.gz IXSQVEZGBODXMZ-NEPJUHHUSA-N 1 1 400.342 4.075 50 0 HIAAMO Cc1ccc(NC(=O)Nc2cccc(-c3ccc(N4CC[NH+](C)CC4)nn3)c2)cc1C ZINC000013612091 569256720 /nfs/dbraw/zinc/25/67/20/569256720.db2.gz VNKCLJRJJWEUGI-UHFFFAOYSA-N 1 1 416.529 4.156 50 0 HIAAMO O=C(COc1ccccc1Cl)N(c1ccccc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000006811163 569260368 /nfs/dbraw/zinc/26/03/68/569260368.db2.gz VLLRJFHFPZLTRL-IBGZPJMESA-N 1 1 405.325 4.500 50 0 HIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccccc4Cl)CC3)n2)cc1 ZINC000017042643 569272355 /nfs/dbraw/zinc/27/23/55/569272355.db2.gz AZNXFXDPXDQQRF-UHFFFAOYSA-N 1 1 421.932 4.453 50 0 HIAAMO COc1c2c(cc3c1[C@H](c1c[nH]c4ccc(Br)cc41)[N@H+](C)CC3)OCO2 ZINC000002087468 569279904 /nfs/dbraw/zinc/27/99/04/569279904.db2.gz CSNGBZUOLRSAJP-SFHVURJKSA-N 1 1 415.287 4.245 50 0 biogenic HIAAMO COc1c2c(cc3c1[C@H](c1c[nH]c4ccc(Br)cc41)[N@@H+](C)CC3)OCO2 ZINC000002087468 569279905 /nfs/dbraw/zinc/27/99/05/569279905.db2.gz CSNGBZUOLRSAJP-SFHVURJKSA-N 1 1 415.287 4.245 50 0 biogenic HIAAMO 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COc1ccc(Br)cc1CN1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000001164695 557220060 /nfs/dbraw/zinc/22/00/60/557220060.db2.gz AVGRVIJZKLTPNO-UHFFFAOYSA-N 1 1 415.375 4.480 50 0 HIAAMO c1coc(-c2noc(C[NH+]3CCC4(C[C@H]4c4nnc(-c5ccccc5)o4)CC3)n2)c1 ZINC000071889689 557297647 /nfs/dbraw/zinc/29/76/47/557297647.db2.gz ISVNRRFWISDOCT-INIZCTEOSA-N 1 1 403.442 4.149 50 0 HIAAMO Cc1cccc(CNC(=O)c2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)c1 ZINC000034668392 557362071 /nfs/dbraw/zinc/36/20/71/557362071.db2.gz ZPESWVARKDHAFG-UHFFFAOYSA-N 1 1 417.528 4.386 50 0 HIAAMO COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000005671290 557667931 /nfs/dbraw/zinc/66/79/31/557667931.db2.gz KVCGGWDMMHNQQC-RPWUZVMVSA-N 1 1 408.461 4.499 50 0 HIAAMO O=C(CCc1ccccc1)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000019740613 558261569 /nfs/dbraw/zinc/26/15/69/558261569.db2.gz GBCZTPOWUUMVRY-RUZDIDTESA-N 1 1 400.522 4.371 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc2c1OCO2 ZINC000011661829 558265687 /nfs/dbraw/zinc/26/56/87/558265687.db2.gz WUTIFMFKMCOCRL-IBGZPJMESA-N 1 1 411.498 4.306 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc2c1OCO2 ZINC000011661829 558265689 /nfs/dbraw/zinc/26/56/89/558265689.db2.gz WUTIFMFKMCOCRL-IBGZPJMESA-N 1 1 411.498 4.306 50 0 HIAAMO O=C(Cc1cc(F)cc(F)c1)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000019745086 558265711 /nfs/dbraw/zinc/26/57/11/558265711.db2.gz IJSLUMKMQTXKRB-XMMPIXPASA-N 1 1 422.475 4.259 50 0 HIAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@](CO)(Cc4ccccc4F)C3)c2)n1 ZINC000011662314 558266168 /nfs/dbraw/zinc/26/61/68/558266168.db2.gz XLZAPNQYJWIMQQ-RUZDIDTESA-N 1 1 407.533 4.445 50 0 HIAAMO COc1ccc(F)c(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)c1 ZINC000011708598 558271142 /nfs/dbraw/zinc/27/11/42/558271142.db2.gz VVXGESLDPSMVCD-UHFFFAOYSA-N 1 1 412.505 4.114 50 0 HIAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)COc1ccccc1 ZINC000011815081 558278943 /nfs/dbraw/zinc/27/89/43/558278943.db2.gz RSHGSCQBJWTOQA-HXUWFJFHSA-N 1 1 400.950 4.132 50 0 HIAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000011814886 558279078 /nfs/dbraw/zinc/27/90/78/558279078.db2.gz ADOYYZOPNUELDX-OAHLLOKOSA-N 1 1 401.557 4.415 50 0 HIAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000011814886 558279081 /nfs/dbraw/zinc/27/90/81/558279081.db2.gz ADOYYZOPNUELDX-OAHLLOKOSA-N 1 1 401.557 4.415 50 0 HIAAMO CCn1ccnc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000011820403 558283794 /nfs/dbraw/zinc/28/37/94/558283794.db2.gz ACYOZIXKGXDZDU-HXUWFJFHSA-N 1 1 402.542 4.212 50 0 HIAAMO CCn1ccnc1C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000011820403 558283798 /nfs/dbraw/zinc/28/37/98/558283798.db2.gz ACYOZIXKGXDZDU-HXUWFJFHSA-N 1 1 402.542 4.212 50 0 HIAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)CC4CCCC4)CC3)cc2)cn1 ZINC000011838765 558285665 /nfs/dbraw/zinc/28/56/65/558285665.db2.gz VZRGJKMHFAJFRD-UHFFFAOYSA-N 1 1 424.589 4.002 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CCCC(F)(F)F)C2)c(OC)c1 ZINC000011841584 558287243 /nfs/dbraw/zinc/28/72/43/558287243.db2.gz PQSILZUCPRVMEF-INIZCTEOSA-N 1 1 416.484 4.155 50 0 HIAAMO CN(Cc1ccccc1OCCO)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843125 558288260 /nfs/dbraw/zinc/28/82/60/558288260.db2.gz MSZGFHZFGMOLRF-NRFANRHFSA-N 1 1 416.993 4.098 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3cc(OC)ccc3OC)C2)cc1 ZINC000011843472 558288286 /nfs/dbraw/zinc/28/82/86/558288286.db2.gz OSLNEOGOAPSNCS-OAQYLSRUSA-N 1 1 412.574 4.099 50 0 HIAAMO Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NCCC[NH+]1CCOCC1 ZINC000019827531 558291172 /nfs/dbraw/zinc/29/11/72/558291172.db2.gz ZNXMMINQWSKGMT-UHFFFAOYSA-N 1 1 423.944 4.316 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)Cc1cccnc1 ZINC000011937866 558301232 /nfs/dbraw/zinc/30/12/32/558301232.db2.gz SGEJAKOSFREUFX-FQEVSTJZSA-N 1 1 419.491 4.056 50 0 HIAAMO C[C@H]1C[N@H+](CCC(=O)NCc2cc(-c3ccccc3)n[nH]2)Cc2cc(Cl)ccc2O1 ZINC000012052926 558314862 /nfs/dbraw/zinc/31/48/62/558314862.db2.gz RDYQDFQKSZGJHG-INIZCTEOSA-N 1 1 424.932 4.020 50 0 HIAAMO C[C@H]1C[N@@H+](CCC(=O)NCc2cc(-c3ccccc3)n[nH]2)Cc2cc(Cl)ccc2O1 ZINC000012052926 558314865 /nfs/dbraw/zinc/31/48/65/558314865.db2.gz RDYQDFQKSZGJHG-INIZCTEOSA-N 1 1 424.932 4.020 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCC[C@H]2CCO)c(F)c1 ZINC000012093384 558324820 /nfs/dbraw/zinc/32/48/20/558324820.db2.gz NHZWHJJWQIXQKW-IBGZPJMESA-N 1 1 409.505 4.424 50 0 HIAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000012094279 558325095 /nfs/dbraw/zinc/32/50/95/558325095.db2.gz DCVMZPXGAFINKE-LJQANCHMSA-N 1 1 400.482 4.469 50 0 HIAAMO CC(C)Cc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000020137738 558337961 /nfs/dbraw/zinc/33/79/61/558337961.db2.gz YVMBTVQJWUCNGC-UHFFFAOYSA-N 1 1 403.526 4.421 50 0 HIAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3cc(Br)ccc3n2)cc1 ZINC000020368456 558358797 /nfs/dbraw/zinc/35/87/97/558358797.db2.gz HJWCZILQLOEOFL-UHFFFAOYSA-N 1 1 424.342 4.360 50 0 HIAAMO C[C@H]1C[NH+](CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C[C@H](C)O1 ZINC000020421393 558361992 /nfs/dbraw/zinc/36/19/92/558361992.db2.gz CBAALCSGEDVLKC-HOTGVXAUSA-N 1 1 400.906 4.009 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c(OC)c1 ZINC000012385198 558394235 /nfs/dbraw/zinc/39/42/35/558394235.db2.gz OAUZGOVIXFPKCR-HXUWFJFHSA-N 1 1 402.579 4.393 50 0 HIAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(-c3cccc(C)c3)nc2-c2cccc(F)c2)C1 ZINC000012430973 558405681 /nfs/dbraw/zinc/40/56/81/558405681.db2.gz XVPLWLXRYJDXII-FQEVSTJZSA-N 1 1 420.532 4.335 50 0 HIAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012441831 558412395 /nfs/dbraw/zinc/41/23/95/558412395.db2.gz AIUFAJBJLXMSFE-HXUWFJFHSA-N 1 1 402.542 4.038 50 0 HIAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccc4ccccc4n3)C2)CC1 ZINC000020780583 558412560 /nfs/dbraw/zinc/41/25/60/558412560.db2.gz HWSRVXMADSQESV-QHCPKHFHSA-N 1 1 416.569 4.030 50 0 HIAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3ccc4ccccc4n3)C2)CC1 ZINC000020780583 558412562 /nfs/dbraw/zinc/41/25/62/558412562.db2.gz HWSRVXMADSQESV-QHCPKHFHSA-N 1 1 416.569 4.030 50 0 HIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](CCCn3cccn3)C2)cc1Cl ZINC000012475452 558422637 /nfs/dbraw/zinc/42/26/37/558422637.db2.gz UJDSDTADWYWSLA-KRWDZBQOSA-N 1 1 404.942 4.066 50 0 HIAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012571095 558429057 /nfs/dbraw/zinc/42/90/57/558429057.db2.gz OIYLVXBOQNCOED-JOCHJYFZSA-N 1 1 415.533 4.404 50 0 HIAAMO CCc1nn2c(nc(CNc3ccccc3C[N@@H+](C)C3CCCCC3)cc2=O)s1 ZINC000021698920 558446006 /nfs/dbraw/zinc/44/60/06/558446006.db2.gz OKCJYQJFHYPEGY-UHFFFAOYSA-N 1 1 411.575 4.090 50 0 HIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)CC3=CCCCC3)C2)cc1OC ZINC000012704973 558449482 /nfs/dbraw/zinc/44/94/82/558449482.db2.gz LLYQJPXQJBVJER-NRFANRHFSA-N 1 1 400.563 4.060 50 0 HIAAMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000021847959 558452131 /nfs/dbraw/zinc/45/21/31/558452131.db2.gz HFUCEGYVZWQMBK-DENIHFKCSA-N 1 1 410.514 4.040 50 0 HIAAMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000021847959 558452134 /nfs/dbraw/zinc/45/21/34/558452134.db2.gz HFUCEGYVZWQMBK-DENIHFKCSA-N 1 1 410.514 4.040 50 0 HIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000012712485 558453232 /nfs/dbraw/zinc/45/32/32/558453232.db2.gz MHUJYIJVELJSLS-HSZRJFAPSA-N 1 1 423.576 4.162 50 0 HIAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@](CO)(CCCc2ccccc2)C1 ZINC000012746617 558458447 /nfs/dbraw/zinc/45/84/47/558458447.db2.gz AACZDJSOINNBGM-VWLOTQADSA-N 1 1 413.558 4.310 50 0 HIAAMO C[NH+]1CCN([C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)CC1 ZINC000022038031 558459593 /nfs/dbraw/zinc/45/95/93/558459593.db2.gz XCSWKLJTMOYQHP-GOSISDBHSA-N 1 1 411.855 4.286 50 0 HIAAMO CCOC(=O)Nc1cccc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)c1 ZINC000022295465 558476957 /nfs/dbraw/zinc/47/69/57/558476957.db2.gz DVCDMDMFZOBWNS-HUUCEWRRSA-N 1 1 416.547 4.442 50 0 HIAAMO OCC[NH+]1CCN([C@@H]2Cc3ccccc3Sc3c(Cl)c(Cl)ccc32)CC1 ZINC000022867695 558517899 /nfs/dbraw/zinc/51/78/99/558517899.db2.gz YRVXNNBISTZDBA-QGZVFWFLSA-N 1 1 409.382 4.352 50 0 HIAAMO COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C)c1O)[C@H](C)N(C)CC2 ZINC000013410410 558532006 /nfs/dbraw/zinc/53/20/06/558532006.db2.gz PWFLHIQSZMYWPN-CABCVRRESA-N 1 1 412.530 4.300 50 0 HIAAMO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023883252 558580414 /nfs/dbraw/zinc/58/04/14/558580414.db2.gz VREFHKJCCHAXIQ-AUSIDOKSSA-N 1 1 405.523 4.463 50 0 HIAAMO C[C@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023883252 558580416 /nfs/dbraw/zinc/58/04/16/558580416.db2.gz VREFHKJCCHAXIQ-AUSIDOKSSA-N 1 1 405.523 4.463 50 0 HIAAMO O=C(c1c2c(sc1-n1cccc1)CSCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000023995547 558584292 /nfs/dbraw/zinc/58/42/92/558584292.db2.gz HAUMVOPDUDZQCM-UHFFFAOYSA-N 1 1 423.607 4.286 50 0 HIAAMO COC(=O)C[C@H]([NH2+][C@H]1C(C)=C(C)C(=O)N1CCc1ccccc1)c1ccc(C)cc1C ZINC000013894083 558600098 /nfs/dbraw/zinc/60/00/98/558600098.db2.gz OHZMXAJKOFCPPB-UKILVPOCSA-N 1 1 420.553 4.245 50 0 HIAAMO COc1ccccc1[C@@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)[NH+](C)C ZINC000024982220 558624402 /nfs/dbraw/zinc/62/44/02/558624402.db2.gz BHZULGJKCTYZPA-JOCHJYFZSA-N 1 1 422.500 4.446 50 0 HIAAMO CC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(OCc2cccs2)c(OC)c1 ZINC000014197931 558634417 /nfs/dbraw/zinc/63/44/17/558634417.db2.gz NDDXKMATVIVFLM-UHFFFAOYSA-N 1 1 410.539 4.457 50 0 HIAAMO O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025396217 558640014 /nfs/dbraw/zinc/64/00/14/558640014.db2.gz TYRFCJWLANKKIA-UHFFFAOYSA-N 1 1 424.548 4.303 50 0 HIAAMO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(N4CCCC4=O)cc3)n2)C1 ZINC000014528603 558655530 /nfs/dbraw/zinc/65/55/30/558655530.db2.gz SNPBEYANYAKQBS-HZPDHXFCSA-N 1 1 412.559 4.000 50 0 HIAAMO CC(C)CNC(=O)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@@H+](CCc2ccccc2)C1 ZINC000014539840 558659391 /nfs/dbraw/zinc/65/93/91/558659391.db2.gz KKUKNDWPKJWEND-FCHUYYIVSA-N 1 1 412.549 4.158 50 0 HIAAMO O=C(NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1)c1ccc2[nH]nnc2c1 ZINC000026403534 558660326 /nfs/dbraw/zinc/66/03/26/558660326.db2.gz VRLFLSYVZFKLND-UHFFFAOYSA-N 1 1 411.509 4.151 50 0 HIAAMO COc1cccc(CN2CC[N@H+]([C@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)c1 ZINC000014961787 558684322 /nfs/dbraw/zinc/68/43/22/558684322.db2.gz KFLPMHHUZYJGKF-QGZVFWFLSA-N 1 1 420.475 4.380 50 0 HIAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028013359 558689701 /nfs/dbraw/zinc/68/97/01/558689701.db2.gz KYUSSXPIHFYHDU-IBGZPJMESA-N 1 1 420.475 4.459 50 0 HIAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)o1 ZINC000014978182 558690210 /nfs/dbraw/zinc/69/02/10/558690210.db2.gz HXVVWPIBGDADIV-HNNXBMFYSA-N 1 1 410.436 4.087 50 0 HIAAMO Cc1cc(C)n(-c2cccc(C(=O)N(C)[C@H]3CCC[N@@H+](CCc4ccccc4)C3)c2)n1 ZINC000015063770 558706372 /nfs/dbraw/zinc/70/63/72/558706372.db2.gz NKUARYVOLNUZFH-VWLOTQADSA-N 1 1 416.569 4.268 50 0 HIAAMO COc1cccc([C@H](C)[N@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)c1 ZINC000015063933 558706702 /nfs/dbraw/zinc/70/67/02/558706702.db2.gz SSQHCSMUQTYHSV-INIZCTEOSA-N 1 1 412.559 4.224 50 0 HIAAMO COc1cccc([C@H](C)[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)c1 ZINC000015063933 558706705 /nfs/dbraw/zinc/70/67/05/558706705.db2.gz SSQHCSMUQTYHSV-INIZCTEOSA-N 1 1 412.559 4.224 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1)c1cc2ccccc2[nH]1 ZINC000015075972 558716343 /nfs/dbraw/zinc/71/63/43/558716343.db2.gz WSAYSCABLJXUPG-INIZCTEOSA-N 1 1 404.539 4.420 50 0 HIAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015310163 558731637 /nfs/dbraw/zinc/73/16/37/558731637.db2.gz WSCIZOAYDVIDJC-NRFANRHFSA-N 1 1 412.505 4.173 50 0 HIAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015310163 558731639 /nfs/dbraw/zinc/73/16/39/558731639.db2.gz WSCIZOAYDVIDJC-NRFANRHFSA-N 1 1 412.505 4.173 50 0 HIAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015310239 558731680 /nfs/dbraw/zinc/73/16/80/558731680.db2.gz PVOGOZMEWZVTMF-FQEVSTJZSA-N 1 1 414.933 4.297 50 0 HIAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000015310239 558731683 /nfs/dbraw/zinc/73/16/83/558731683.db2.gz PVOGOZMEWZVTMF-FQEVSTJZSA-N 1 1 414.933 4.297 50 0 HIAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCCCC3)no2)cc1 ZINC000015860441 558758158 /nfs/dbraw/zinc/75/81/58/558758158.db2.gz BRSNOERQPKXCQB-HXUWFJFHSA-N 1 1 409.486 4.209 50 0 HIAAMO CCOc1cc(C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000033087236 558760713 /nfs/dbraw/zinc/76/07/13/558760713.db2.gz SWBPSFDZVGMFOA-HXUWFJFHSA-N 1 1 400.494 4.206 50 0 HIAAMO O=C(NCc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310068 558779049 /nfs/dbraw/zinc/77/90/49/558779049.db2.gz APKHQXZIYYUCTK-XMMPIXPASA-N 1 1 419.500 4.081 50 0 HIAAMO O=C(NCc1ccc(OCc2cccnc2)cc1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310068 558779051 /nfs/dbraw/zinc/77/90/51/558779051.db2.gz APKHQXZIYYUCTK-XMMPIXPASA-N 1 1 419.500 4.081 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)CC1 ZINC000016226060 558779521 /nfs/dbraw/zinc/77/95/21/558779521.db2.gz XKVMZRMNOKFHKM-UHFFFAOYSA-N 1 1 424.342 4.442 50 0 HIAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000016352193 558787711 /nfs/dbraw/zinc/78/77/11/558787711.db2.gz QGZUIRGMRFSERW-RTBURBONSA-N 1 1 400.544 4.266 50 0 HIAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000016352193 558787715 /nfs/dbraw/zinc/78/77/15/558787715.db2.gz QGZUIRGMRFSERW-RTBURBONSA-N 1 1 400.544 4.266 50 0 HIAAMO COC(=O)c1ccc(CN2CC[C@H]([N@H+]3CCC[C@H](c4ccccc4)C3)CCC2=O)cc1 ZINC000039557908 558822452 /nfs/dbraw/zinc/82/24/52/558822452.db2.gz ZZLZHMWVQJFKAB-BJKOFHAPSA-N 1 1 420.553 4.234 50 0 HIAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)c1noc2c1COc1ccccc1-2 ZINC000033028850 558852592 /nfs/dbraw/zinc/85/25/92/558852592.db2.gz GGQIBSQHYIJBFX-UHFFFAOYSA-N 1 1 421.497 4.392 50 0 HIAAMO O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccccc3C(F)(F)F)[N@@H+]3CCC[C@@]123 ZINC000055036834 558870207 /nfs/dbraw/zinc/87/02/07/558870207.db2.gz LHMPWEMFMBLEQB-LRQRDZAKSA-N 1 1 401.432 4.038 50 0 HIAAMO CCc1ccc(-c2nc3sc(N4CC[NH+](CC)CC4)nn3c2NC(C)(C)C)cc1 ZINC000033125739 558883611 /nfs/dbraw/zinc/88/36/11/558883611.db2.gz ILTYFZJTJLJPJI-UHFFFAOYSA-N 1 1 412.607 4.373 50 0 HIAAMO C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000019540223 558914197 /nfs/dbraw/zinc/91/41/97/558914197.db2.gz RWAVDHJCDQVHSP-HXUWFJFHSA-N 1 1 419.594 4.160 50 0 HIAAMO Cn1cc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000058266029 558915665 /nfs/dbraw/zinc/91/56/65/558915665.db2.gz HEXSWHMYDFGHMM-JWQCQUIFSA-N 1 1 401.554 4.376 50 0 HIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)Nc4ccccc4C)CC3)n2)cc1 ZINC000065365797 558976626 /nfs/dbraw/zinc/97/66/26/558976626.db2.gz RJDXXJLNFRAKAK-UHFFFAOYSA-N 1 1 416.529 4.500 50 0 HIAAMO COCC[N@H+]1CC[C@H](Cn2cnc(-c3ccccc3)c2-c2ccc(OC)c(F)c2)C1 ZINC000065506946 558978091 /nfs/dbraw/zinc/97/80/91/558978091.db2.gz YXHQXXRKWTZXPP-SFHVURJKSA-N 1 1 409.505 4.333 50 0 HIAAMO CNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072481421 558984207 /nfs/dbraw/zinc/98/42/07/558984207.db2.gz VYBJVBRECUXBAY-IBGZPJMESA-N 1 1 405.498 4.400 50 0 HIAAMO C[C@@H](NC(=S)Nc1ccccc1Cl)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031457 558985346 /nfs/dbraw/zinc/98/53/46/558985346.db2.gz WJFJCKIMYLSMDE-UZLBHIALSA-N 1 1 402.995 4.004 50 0 HIAAMO CCOc1c(Br)cc(CN[C@@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000096971410 558987006 /nfs/dbraw/zinc/98/70/06/558987006.db2.gz LOKYHGBDLNFBIK-SFHVURJKSA-N 1 1 407.352 4.249 50 0 HIAAMO CC[N@@H+](Cc1ccccc1)Cc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 ZINC000033268789 558992930 /nfs/dbraw/zinc/99/29/30/558992930.db2.gz CYTJLUMHIVQFFJ-UHFFFAOYSA-N 1 1 405.523 4.454 50 0 HIAAMO Cc1cc(OC[C@H](O)C[NH+]2CCN(c3ccccc3O)CC2)c(C(C)C)cc1Cl ZINC000023387045 559173767 /nfs/dbraw/zinc/17/37/67/559173767.db2.gz GYXYDQOARQXPHT-GOSISDBHSA-N 1 1 418.965 4.039 50 0 HIAAMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCCc2ccccc21 ZINC000023701911 559179340 /nfs/dbraw/zinc/17/93/40/559179340.db2.gz JDJSVWMSCLZVJH-FCHUYYIVSA-N 1 1 406.526 4.131 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CSc1c2ccc(Cl)cc2nc2c1CCCC2 ZINC000004901494 559199868 /nfs/dbraw/zinc/19/98/68/559199868.db2.gz DMCSEYANCVHVBW-MRXNPFEDSA-N 1 1 418.006 4.460 50 0 HIAAMO Cc1ccc2c(c1)C1=C([C@H](c3ccc(F)cc3)O2)[C@H](c2cccnc2)N2NC=NC2=[NH+]1 ZINC000005516574 560604528 /nfs/dbraw/zinc/60/45/28/560604528.db2.gz BZOKIODKEKYYIG-GOTSBHOMSA-N 1 1 411.440 4.333 50 0 HIAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccc(F)cc4)CC3)cc2)cc1 ZINC000012843153 560788618 /nfs/dbraw/zinc/78/86/18/560788618.db2.gz VNMORGJXDBAQIN-UHFFFAOYSA-N 1 1 419.500 4.409 50 0 HIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983525 560859215 /nfs/dbraw/zinc/85/92/15/560859215.db2.gz JANGWTKBWNVUSY-FGZHOGPDSA-N 1 1 416.949 4.121 50 0 HIAAMO COc1ccc(-c2noc(C[N@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 ZINC000022014995 568473476 /nfs/dbraw/zinc/47/34/76/568473476.db2.gz FPIYTIZZETWCDS-UHFFFAOYSA-N 1 1 407.470 4.419 50 0 HIAAMO COc1ccc(-c2noc(C[N@@H+](Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 ZINC000022014995 568473478 /nfs/dbraw/zinc/47/34/78/568473478.db2.gz FPIYTIZZETWCDS-UHFFFAOYSA-N 1 1 407.470 4.419 50 0 HIAAMO CCOc1c(Br)cc(CNC[C@@H]2CCC[N@@H+]2CC)cc1Br ZINC000022936938 568500742 /nfs/dbraw/zinc/50/07/42/568500742.db2.gz LLHATQDLIYDIRO-ZDUSSCGKSA-N 1 1 420.189 4.184 50 0 HIAAMO CCOc1c(Br)cc(CNC[C@@H]2CCC[N@H+]2CC)cc1Br ZINC000022936938 568500743 /nfs/dbraw/zinc/50/07/43/568500743.db2.gz LLHATQDLIYDIRO-ZDUSSCGKSA-N 1 1 420.189 4.184 50 0 HIAAMO O[C@@H](CSc1c(Cl)cccc1Cl)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020385051 568602967 /nfs/dbraw/zinc/60/29/67/568602967.db2.gz DGLAWAKKMLEAPT-CQSZACIVSA-N 1 1 415.361 4.408 50 0 HIAAMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2cc(Br)cs2)C[C@@H](C)O1 ZINC000095951441 568667724 /nfs/dbraw/zinc/66/77/24/568667724.db2.gz OKBCEXKKDKQCEQ-HUUCEWRRSA-N 1 1 409.393 4.410 50 0 HIAAMO CCCn1nccc1C(=O)N1CC[NH+]([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000096183699 568703087 /nfs/dbraw/zinc/70/30/87/568703087.db2.gz IKMFOQDPEDRGEU-RUZDIDTESA-N 1 1 416.569 4.457 50 0 HIAAMO CCCn1ccc(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)n1 ZINC000096183709 568703124 /nfs/dbraw/zinc/70/31/24/568703124.db2.gz AXTQHIMKZGJRRD-VWLOTQADSA-N 1 1 416.569 4.457 50 0 HIAAMO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248118093 568747456 /nfs/dbraw/zinc/74/74/56/568747456.db2.gz TZMQJESTKIALMA-NRFANRHFSA-N 1 1 404.558 4.454 50 0 HIAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)cc(OC)c1 ZINC000021795822 568753671 /nfs/dbraw/zinc/75/36/71/568753671.db2.gz RIUBWZCRDHDYOY-UHFFFAOYSA-N 1 1 422.489 4.256 50 0 HIAAMO COc1cc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)cc(OC)c1 ZINC000021795822 568753672 /nfs/dbraw/zinc/75/36/72/568753672.db2.gz RIUBWZCRDHDYOY-UHFFFAOYSA-N 1 1 422.489 4.256 50 0 HIAAMO CC(C)[N@@H+](CCCNC(=O)/C=C1\Sc2ccccc2NC1=O)Cc1ccccc1 ZINC000003049713 568849976 /nfs/dbraw/zinc/84/99/76/568849976.db2.gz ZEJRLLDAMIWZDS-QNGOZBTKSA-N 1 1 409.555 4.032 50 0 HIAAMO CCOC(=O)c1ccc(NC(=S)N2CCC([N@@H+](C)C3CCCCC3)CC2)cc1 ZINC000003058473 568851918 /nfs/dbraw/zinc/85/19/18/568851918.db2.gz PKPITBLYAOUYFE-UHFFFAOYSA-N 1 1 403.592 4.289 50 0 HIAAMO CCN(CC)S(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](C)C3CCCCC3)c2c1 ZINC000003275735 568870993 /nfs/dbraw/zinc/87/09/93/568870993.db2.gz HPNKVRKUMVCRKN-UHFFFAOYSA-N 1 1 411.593 4.216 50 0 HIAAMO C[N@@H+](Cc1ccccc1NCC(=O)Nc1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000003371944 568890755 /nfs/dbraw/zinc/89/07/55/568890755.db2.gz QJZSESKXUXCTCY-UHFFFAOYSA-N 1 1 409.530 4.273 50 0 HIAAMO O=C(COc1ccc(Cl)cc1)N(c1ccccc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000001294404 568912835 /nfs/dbraw/zinc/91/28/35/568912835.db2.gz UJMNNEJCRDDBRG-FQEVSTJZSA-N 1 1 405.325 4.500 50 0 HIAAMO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(Br)cc1 ZINC000003585285 568917549 /nfs/dbraw/zinc/91/75/49/568917549.db2.gz KAPFQMVIVYGAFM-UHFFFAOYSA-N 1 1 412.125 4.282 50 0 HIAAMO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(Br)cc1 ZINC000003585285 568917550 /nfs/dbraw/zinc/91/75/50/568917550.db2.gz KAPFQMVIVYGAFM-UHFFFAOYSA-N 1 1 412.125 4.282 50 0 HIAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(-c2ccccn2)nc2ccccc21 ZINC000031338225 568924376 /nfs/dbraw/zinc/92/43/76/568924376.db2.gz UUMCDIVBJJBHDF-UHFFFAOYSA-N 1 1 408.505 4.085 50 0 HIAAMO Cc1c(-c2ccccc2)n[nH]c1C(=O)NC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000670451113 568927144 /nfs/dbraw/zinc/92/71/44/568927144.db2.gz QNGWVXJGTNGWTO-NRFANRHFSA-N 1 1 402.542 4.070 50 0 HIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000012744736 568930833 /nfs/dbraw/zinc/93/08/33/568930833.db2.gz VAEJUSNOOJIGFQ-JOCHJYFZSA-N 1 1 417.509 4.489 50 0 HIAAMO Cc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c(C)c1 ZINC000012754070 568942122 /nfs/dbraw/zinc/94/21/22/568942122.db2.gz DUOJWORPAUWGDI-IBGZPJMESA-N 1 1 419.447 4.042 50 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HIAAMO O=C(C[N@H+]1CCC[C@H](COCc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000056908429 526757384 /nfs/dbraw/zinc/75/73/84/526757384.db2.gz AMZIYXPRBLHWTB-SFHVURJKSA-N 1 1 417.347 4.316 50 0 HIAAMO Cc1nc(CSCC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cs1 ZINC000032931182 526913122 /nfs/dbraw/zinc/91/31/22/526913122.db2.gz WLCMZRQJLLRIEN-MRXNPFEDSA-N 1 1 403.617 4.233 50 0 HIAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@H+](C4CCSCC4)C3)CC2)c1 ZINC000020295696 527685715 /nfs/dbraw/zinc/68/57/15/527685715.db2.gz ILPKOUBFJPTYDT-HXUWFJFHSA-N 1 1 413.553 4.187 50 0 HIAAMO O=C(NCc1ccccc1F)c1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000034668795 557362270 /nfs/dbraw/zinc/36/22/70/557362270.db2.gz QUOPBLTVGPOFAX-UHFFFAOYSA-N 1 1 421.491 4.217 50 0 HIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740519 557444037 /nfs/dbraw/zinc/44/40/37/557444037.db2.gz HTQWRLSEVGPVIZ-DENIHFKCSA-N 1 1 418.578 4.234 50 0 HIAAMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccccc4)CC3)C2=O)cc1 ZINC000004310965 557539420 /nfs/dbraw/zinc/53/94/20/557539420.db2.gz QEPCYRWLXLKAHW-HSZRJFAPSA-N 1 1 406.526 4.062 50 0 HIAAMO O=C([C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1)N1CCc2ccccc2C1 ZINC000004744885 557591573 /nfs/dbraw/zinc/59/15/73/557591573.db2.gz QCHCENGYNVKSHO-HXUWFJFHSA-N 1 1 413.359 4.246 50 0 HIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000005274700 557642902 /nfs/dbraw/zinc/64/29/02/557642902.db2.gz YQHXTQXJTIBNGG-NRFANRHFSA-N 1 1 405.523 4.169 50 0 HIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 ZINC000005274700 557642905 /nfs/dbraw/zinc/64/29/05/557642905.db2.gz YQHXTQXJTIBNGG-NRFANRHFSA-N 1 1 405.523 4.169 50 0 HIAAMO c1ccc(-c2nnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c3ccccc32)cc1 ZINC000002888931 557768191 /nfs/dbraw/zinc/76/81/91/557768191.db2.gz AEUUHKONAOINOR-UHFFFAOYSA-N 1 1 424.504 4.348 50 0 HIAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cc(Cl)c(O)c(OC)c2)CC1 ZINC000011662912 558266775 /nfs/dbraw/zinc/26/67/75/558266775.db2.gz KEWQUPYXMJUXRA-UHFFFAOYSA-N 1 1 417.933 4.442 50 0 HIAAMO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1)c1[nH]nc2ccccc21 ZINC000011663755 558267239 /nfs/dbraw/zinc/26/72/39/558267239.db2.gz MKSSYFOBQTUJBI-MRXNPFEDSA-N 1 1 416.447 4.224 50 0 HIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000011815287 558279227 /nfs/dbraw/zinc/27/92/27/558279227.db2.gz SBPWWRPJPSACHJ-LJQANCHMSA-N 1 1 415.965 4.160 50 0 HIAAMO Cc1[nH+]ccn1CCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 ZINC000011817752 558280995 /nfs/dbraw/zinc/28/09/95/558280995.db2.gz UBNWVXFIVRIXFT-OAQYLSRUSA-N 1 1 405.546 4.259 50 0 HIAAMO CCOc1ccccc1CN(CCOC)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000011818244 558281604 /nfs/dbraw/zinc/28/16/04/558281604.db2.gz QKLGVGQILWWWGL-QFIPXVFZSA-N 1 1 422.613 4.413 50 0 HIAAMO CCOC(=O)c1sc(-c2ccc(C)cc2)cc1NC(=S)N1CCC[N@@H+](C)CC1 ZINC000019797183 558284760 /nfs/dbraw/zinc/28/47/60/558284760.db2.gz GKCUIAPUURHMNV-UHFFFAOYSA-N 1 1 417.600 4.235 50 0 HIAAMO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(OCc4ccccn4)CC3)c(C)o2)c1 ZINC000011873449 558291141 /nfs/dbraw/zinc/29/11/41/558291141.db2.gz JVPWMXZOZHSAKK-UHFFFAOYSA-N 1 1 423.513 4.243 50 0 HIAAMO C[N@H+](C[C@H](O)COc1ccccc1CNC1(c2ccccc2)CC1)C1CCCCC1 ZINC000011951737 558302998 /nfs/dbraw/zinc/30/29/98/558302998.db2.gz RRZXLYPNCCUACW-DEOSSOPVSA-N 1 1 408.586 4.470 50 0 HIAAMO C[N@@H+](C[C@H](O)COc1ccccc1CNC1(c2ccccc2)CC1)C1CCCCC1 ZINC000011951737 558303001 /nfs/dbraw/zinc/30/30/01/558303001.db2.gz RRZXLYPNCCUACW-DEOSSOPVSA-N 1 1 408.586 4.470 50 0 HIAAMO COc1ccc(-c2noc(C[N@@H+](Cc3ccccc3)CC3CC3)n2)c(OC)c1OC ZINC000012023989 558309771 /nfs/dbraw/zinc/30/97/71/558309771.db2.gz AKPJJTOOVDQROX-UHFFFAOYSA-N 1 1 409.486 4.175 50 0 HIAAMO COc1ccc(-c2noc(C[N@H+](Cc3ccccc3)CC3CC3)n2)c(OC)c1OC ZINC000012023989 558309773 /nfs/dbraw/zinc/30/97/73/558309773.db2.gz AKPJJTOOVDQROX-UHFFFAOYSA-N 1 1 409.486 4.175 50 0 HIAAMO C[N@@H+](Cc1ccc(OCCNC(=O)[C@H]2CCCO2)cc1)Cc1cccc2ccccc21 ZINC000012127218 558331426 /nfs/dbraw/zinc/33/14/26/558331426.db2.gz BEXMNQHIFAJUKP-RUZDIDTESA-N 1 1 418.537 4.146 50 0 HIAAMO C[NH+]1CCN(Cc2nc(/C=C/c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)CC1 ZINC000020414197 558361033 /nfs/dbraw/zinc/36/10/33/558361033.db2.gz YPCSIBDLSIKNEN-NSCUHMNNSA-N 1 1 420.357 4.025 50 0 HIAAMO O=C(Nc1ccc(Cl)cc1Cl)N(CCC[NH+]1CCOCC1)Cc1ccccn1 ZINC000020423747 558362257 /nfs/dbraw/zinc/36/22/57/558362257.db2.gz YKQOXJSAGSTVBY-UHFFFAOYSA-N 1 1 423.344 4.145 50 0 HIAAMO C[C@@H](NC(=O)c1cccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c1)c1ccccc1 ZINC000020451414 558365737 /nfs/dbraw/zinc/36/57/37/558365737.db2.gz ASMVYMMPTIHPFE-HXUWFJFHSA-N 1 1 421.585 4.115 50 0 HIAAMO Cn1c2ccccc2nc1CN(C[C@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298070 558368156 /nfs/dbraw/zinc/36/81/56/558368156.db2.gz WWOXUUAFLMBYHZ-JOCHJYFZSA-N 1 1 410.606 4.209 50 0 HIAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012303940 558373354 /nfs/dbraw/zinc/37/33/54/558373354.db2.gz YVPAHZZHFUHTJI-HSZRJFAPSA-N 1 1 409.555 4.322 50 0 HIAAMO CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012307200 558375834 /nfs/dbraw/zinc/37/58/34/558375834.db2.gz PMCQLRMCSZXJJM-HXUWFJFHSA-N 1 1 410.949 4.157 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3-c3ccc(OC)cc3)C2)cn1 ZINC000012373043 558390542 /nfs/dbraw/zinc/39/05/42/558390542.db2.gz UFOGIVCZVRTFGH-OAQYLSRUSA-N 1 1 418.541 4.429 50 0 HIAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C2)cc1F ZINC000012387239 558396100 /nfs/dbraw/zinc/39/61/00/558396100.db2.gz XNZZRXRYLUGBHM-FQEVSTJZSA-N 1 1 407.489 4.423 50 0 HIAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(OCCO)c2)Cc2ccccc2O1 ZINC000020858350 558417587 /nfs/dbraw/zinc/41/75/87/558417587.db2.gz KZJSRGOQQHBOTH-VWLOTQADSA-N 1 1 405.494 4.202 50 0 HIAAMO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@@](CO)(Cc3ccc(F)cc3)C2)cn1 ZINC000012464466 558419927 /nfs/dbraw/zinc/41/99/27/558419927.db2.gz BMMZFIIAGLHTNK-RUZDIDTESA-N 1 1 405.517 4.408 50 0 HIAAMO O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012583644 558433450 /nfs/dbraw/zinc/43/34/50/558433450.db2.gz HWMWLKVNLZNHFF-LJQANCHMSA-N 1 1 409.530 4.273 50 0 HIAAMO O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012583644 558433452 /nfs/dbraw/zinc/43/34/52/558433452.db2.gz HWMWLKVNLZNHFF-LJQANCHMSA-N 1 1 409.530 4.273 50 0 HIAAMO COCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(OC)cc3C)C2)o1 ZINC000012593989 558436858 /nfs/dbraw/zinc/43/68/58/558436858.db2.gz QXMKKUHRBBNMOG-SFHVURJKSA-N 1 1 400.519 4.374 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000012704117 558449005 /nfs/dbraw/zinc/44/90/05/558449005.db2.gz DRORMVAPKLXNHJ-KRWDZBQOSA-N 1 1 403.906 4.461 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000012704117 558449007 /nfs/dbraw/zinc/44/90/07/558449007.db2.gz DRORMVAPKLXNHJ-KRWDZBQOSA-N 1 1 403.906 4.461 50 0 HIAAMO Cc1ccn2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)nc2c1 ZINC000022132360 558464234 /nfs/dbraw/zinc/46/42/34/558464234.db2.gz KAFXMRMFUTZJES-UHFFFAOYSA-N 1 1 410.521 4.190 50 0 HIAAMO O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000012798030 558470258 /nfs/dbraw/zinc/47/02/58/558470258.db2.gz BMLFUOUDJBHGKX-QHCPKHFHSA-N 1 1 423.532 4.230 50 0 HIAAMO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)occ1OCc1cccc(Cl)c1 ZINC000022577772 558499732 /nfs/dbraw/zinc/49/97/32/558499732.db2.gz NLRRXDRXSOLZMN-UHFFFAOYSA-N 1 1 424.928 4.190 50 0 HIAAMO O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000024171699 558591057 /nfs/dbraw/zinc/59/10/57/558591057.db2.gz FOQDWHNMZXFFBI-UHFFFAOYSA-N 1 1 408.505 4.255 50 0 HIAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH2+][C@H](c1cccs1)c1ccc(F)cc1 ZINC000025048971 558628443 /nfs/dbraw/zinc/62/84/43/558628443.db2.gz CRKOXJBUEYYTNL-CMJOXMDJSA-N 1 1 423.513 4.330 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)CCc2cnn(C)c2)cc1 ZINC000014968244 558686607 /nfs/dbraw/zinc/68/66/07/558686607.db2.gz IDCAZKLAZYYARU-UHFFFAOYSA-N 1 1 419.504 4.095 50 0 HIAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C2)cc1OC ZINC000014971250 558687296 /nfs/dbraw/zinc/68/72/96/558687296.db2.gz RQPIKXYYWCSHOS-NRFANRHFSA-N 1 1 419.525 4.293 50 0 HIAAMO COc1cc(C[N@@H+](C)Cc2ccc(C(=O)N3CCCC3)cc2)ccc1OC(F)F ZINC000028746242 558704312 /nfs/dbraw/zinc/70/43/12/558704312.db2.gz NXXNTZYJEOZQGU-UHFFFAOYSA-N 1 1 404.457 4.165 50 0 HIAAMO Cc1cccc(-c2nnc([C@H](C)[NH+]3CCC(C(=O)NCc4ccccc4)CC3)o2)c1 ZINC000029188717 558711356 /nfs/dbraw/zinc/71/13/56/558711356.db2.gz WQDZKQBEFORWMY-SFHVURJKSA-N 1 1 404.514 4.134 50 0 HIAAMO C[N@H+](CCCn1cccn1)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074196 558715055 /nfs/dbraw/zinc/71/50/55/558715055.db2.gz ZODQHVYLUBVBCI-FQEVSTJZSA-N 1 1 408.512 4.179 50 0 HIAAMO C[N@@H+](CCCn1cccn1)C[C@@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074196 558715059 /nfs/dbraw/zinc/71/50/59/558715059.db2.gz ZODQHVYLUBVBCI-FQEVSTJZSA-N 1 1 408.512 4.179 50 0 HIAAMO Cc1noc(C)c1C(=O)N(Cc1cccnc1)C[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015075134 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COc1cc2c(cc1OC)[C@H](CNC(=O)C1CCCC1)[N@@H+](Cc1ccccc1)CC2 ZINC000034855664 558785049 /nfs/dbraw/zinc/78/50/49/558785049.db2.gz VKXOQAUIXAPZAF-QFIPXVFZSA-N 1 1 408.542 4.110 50 0 HIAAMO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000017082889 558815216 /nfs/dbraw/zinc/81/52/16/558815216.db2.gz SEYBEKYVDQHVJC-KBPBESRZSA-N 1 1 404.507 4.257 50 0 HIAAMO CC(=O)c1ccc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)Cc3ccccc3C2)s1 ZINC000019225876 558852559 /nfs/dbraw/zinc/85/25/59/558852559.db2.gz PHICIGXVYHUFIN-UHFFFAOYSA-N 1 1 418.562 4.350 50 0 HIAAMO CCC[NH+]1CCN(C(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)CC1 ZINC000055199151 558875758 /nfs/dbraw/zinc/87/57/58/558875758.db2.gz VAEPGDOWGUPHHE-UHFFFAOYSA-N 1 1 422.476 4.249 50 0 HIAAMO COc1ccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000055545148 558882130 /nfs/dbraw/zinc/88/21/30/558882130.db2.gz MMDMSWDEFXCNTL-UHFFFAOYSA-N 1 1 419.500 4.409 50 0 HIAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1CCCC(CO)(CO)C1 ZINC000071751704 558909042 /nfs/dbraw/zinc/90/90/42/558909042.db2.gz XOOIMUIGVRQDSN-UHFFFAOYSA-N 1 1 408.498 4.009 50 0 HIAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1CCCC(CO)(CO)C1 ZINC000071751704 558909048 /nfs/dbraw/zinc/90/90/48/558909048.db2.gz XOOIMUIGVRQDSN-UHFFFAOYSA-N 1 1 408.498 4.009 50 0 HIAAMO COC(=O)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019592555 558943466 /nfs/dbraw/zinc/94/34/66/558943466.db2.gz JNDMCCLHOOGDFM-UHFFFAOYSA-N 1 1 400.478 4.284 50 0 HIAAMO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1 ZINC000063110889 558957530 /nfs/dbraw/zinc/95/75/30/558957530.db2.gz LNIWYOFBBBDUOU-UHFFFAOYSA-N 1 1 407.739 4.498 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@H]2CCO)cc1F ZINC000072463115 558983132 /nfs/dbraw/zinc/98/31/32/558983132.db2.gz FLPQFXLIZIMIOW-FQEVSTJZSA-N 1 1 409.505 4.342 50 0 HIAAMO COc1ccc(OC)c2nc(-c3cccc(Cl)c3)c(C[NH+]3CCN(C)CC3)cc12 ZINC000072472791 558983528 /nfs/dbraw/zinc/98/35/28/558983528.db2.gz PKONSFWEJJOVMC-UHFFFAOYSA-N 1 1 411.933 4.320 50 0 HIAAMO CCOc1c(Br)cc(CN[C@H](C[NH+](C)C)c2ccccc2)cc1OC ZINC000096971411 559015425 /nfs/dbraw/zinc/01/54/25/559015425.db2.gz LOKYHGBDLNFBIK-GOSISDBHSA-N 1 1 407.352 4.249 50 0 HIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000033287272 559043883 /nfs/dbraw/zinc/04/38/83/559043883.db2.gz KJXBJBQWIYUISV-UHFFFAOYSA-N 1 1 411.502 4.181 50 0 HIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000033287272 559043884 /nfs/dbraw/zinc/04/38/84/559043884.db2.gz KJXBJBQWIYUISV-UHFFFAOYSA-N 1 1 411.502 4.181 50 0 HIAAMO Fc1ccc([C@H](OCC[NH+]2CCN(Cc3ccccn3)CC2)c2ccccc2)cc1F ZINC000023310015 559115190 /nfs/dbraw/zinc/11/51/90/559115190.db2.gz WVOJTRZSVCHXCG-RUZDIDTESA-N 1 1 423.507 4.284 50 0 HIAAMO COc1ccc2cc3cc(C(=O)NCC[N@@H+]4CCc5ccccc5C4)sc3nc2c1 ZINC000004900146 559199345 /nfs/dbraw/zinc/19/93/45/559199345.db2.gz OGJUNEWMAVBDKW-UHFFFAOYSA-N 1 1 417.534 4.246 50 0 HIAAMO COc1ccc2cc3cc(C(=O)NCC[N@H+]4CCc5ccccc5C4)sc3nc2c1 ZINC000004900146 559199347 /nfs/dbraw/zinc/19/93/47/559199347.db2.gz OGJUNEWMAVBDKW-UHFFFAOYSA-N 1 1 417.534 4.246 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@](O)(c1ccco1)C(F)(F)F ZINC000248117176 559264077 /nfs/dbraw/zinc/26/40/77/559264077.db2.gz SXMWZEAPKSSKDA-IERDGZPVSA-N 1 1 424.463 4.110 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000046615717 560559581 /nfs/dbraw/zinc/55/95/81/560559581.db2.gz XYRCZVNVNFDVGA-AUSIDOKSSA-N 1 1 419.569 4.268 50 0 HIAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H](CC(C)C)n1cccc1 ZINC000409413792 560723234 /nfs/dbraw/zinc/72/32/34/560723234.db2.gz DDYLPGPVQJKJDT-YTFSRNRJSA-N 1 1 403.611 4.205 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000103051926 560837019 /nfs/dbraw/zinc/83/70/19/560837019.db2.gz YGFKIXXJALZQNI-MHECFPHRSA-N 1 1 410.558 4.272 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H]([C@H](C)NC(=O)C(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000103051926 560837021 /nfs/dbraw/zinc/83/70/21/560837021.db2.gz 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O=C(c1ccc(OC2CC[NH+](Cc3ccc(F)cc3F)CC2)cc1)N1CCCC1 ZINC000012588341 568867664 /nfs/dbraw/zinc/86/76/64/568867664.db2.gz MPKIAUHAQVMLBN-UHFFFAOYSA-N 1 1 400.469 4.244 50 0 HIAAMO COc1ccc(/C=C/C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cc1OC ZINC000057986015 568871742 /nfs/dbraw/zinc/87/17/42/568871742.db2.gz GEECXIQIVROHIO-CSKARUKUSA-N 1 1 401.532 4.188 50 0 HIAAMO CC(C)c1noc2ncc(C(=O)N3CC[NH+](Cc4cccc5ccccc54)CC3)cc21 ZINC000012613644 568871777 /nfs/dbraw/zinc/87/17/77/568871777.db2.gz GETUJBPQJKRYTR-UHFFFAOYSA-N 1 1 414.509 4.457 50 0 HIAAMO Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC(=O)Nc3ccc(C)cc3)c2c1C ZINC000003292991 568874168 /nfs/dbraw/zinc/87/41/68/568874168.db2.gz PBLKWMCPLREOKK-UHFFFAOYSA-N 1 1 423.586 4.287 50 0 HIAAMO O=C(Cc1ccc(Br)cc1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000058113317 568887708 /nfs/dbraw/zinc/88/77/08/568887708.db2.gz KMKKHEWVTCUFFQ-UHFFFAOYSA-N 1 1 405.361 4.179 50 0 HIAAMO Cc1nc(CC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000012706063 568917384 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YLNLZUVVGIUIBY-XMMPIXPASA-N 1 1 405.542 4.476 50 0 HIAAMO COc1cccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036345682 569143399 /nfs/dbraw/zinc/14/33/99/569143399.db2.gz ZMFBMKFNWPXTRZ-XMMPIXPASA-N 1 1 405.542 4.476 50 0 HIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](NC(=O)c1ccccc1C)C(C)C ZINC000006873446 569162488 /nfs/dbraw/zinc/16/24/88/569162488.db2.gz VUELXODBIVAGIH-RPWUZVMVSA-N 1 1 410.558 4.386 50 0 HIAAMO CCOC(=O)c1cccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)c1 ZINC000006877317 569163997 /nfs/dbraw/zinc/16/39/97/569163997.db2.gz FLVPSSNFUUQZCD-UHFFFAOYSA-N 1 1 421.541 4.166 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000036390145 569165393 /nfs/dbraw/zinc/16/53/93/569165393.db2.gz HFUCEGYVZWQMBK-UGKGYDQZSA-N 1 1 410.514 4.040 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000036390145 569165394 /nfs/dbraw/zinc/16/53/94/569165394.db2.gz HFUCEGYVZWQMBK-UGKGYDQZSA-N 1 1 410.514 4.040 50 0 HIAAMO 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O=C(CSc1ccccn1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019890589 558302952 /nfs/dbraw/zinc/30/29/52/558302952.db2.gz OXHBVHDWDJCVLC-UHFFFAOYSA-N 1 1 403.551 4.108 50 0 HIAAMO COc1ccccc1C[N@@H+]1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000011979228 558305904 /nfs/dbraw/zinc/30/59/04/558305904.db2.gz JYGXVWAZULUQNX-SANMLTNESA-N 1 1 419.521 4.376 50 0 HIAAMO COc1ccccc1C[N@H+]1CCOc2ccc([C@@](C)(O)COc3ccccc3)cc2C1 ZINC000011979228 558305906 /nfs/dbraw/zinc/30/59/06/558305906.db2.gz JYGXVWAZULUQNX-SANMLTNESA-N 1 1 419.521 4.376 50 0 HIAAMO COc1ccccc1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019920485 558307238 /nfs/dbraw/zinc/30/72/38/558307238.db2.gz CXAAYEPSHMKSEY-UHFFFAOYSA-N 1 1 400.522 4.172 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(C)c3)C2)c(OC)c1 ZINC000012020020 558309215 /nfs/dbraw/zinc/30/92/15/558309215.db2.gz MTRPPRCCPFDUBN-HXUWFJFHSA-N 1 1 410.558 4.321 50 0 HIAAMO CC[NH+]1CCN(C(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)CC1 ZINC000020167931 558343084 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419.451 4.321 50 0 HIAAMO FC(F)(F)c1cccc(Cc2noc(C[N@H+]3CCCC[C@@H]3CCn3ccnc3)n2)c1 ZINC000020449936 558365166 /nfs/dbraw/zinc/36/51/66/558365166.db2.gz XAOXPBRLOLMKSU-GOSISDBHSA-N 1 1 419.451 4.321 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000020454129 558368103 /nfs/dbraw/zinc/36/81/03/558368103.db2.gz BCGRJZJAJGFDOF-HXUWFJFHSA-N 1 1 404.558 4.322 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000020454129 558368108 /nfs/dbraw/zinc/36/81/08/558368108.db2.gz BCGRJZJAJGFDOF-HXUWFJFHSA-N 1 1 404.558 4.322 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000020454129 558368109 /nfs/dbraw/zinc/36/81/09/558368109.db2.gz BCGRJZJAJGFDOF-HXUWFJFHSA-N 1 1 404.558 4.322 50 0 HIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@H+](C3CSCCSC3)C2)c(C)c1 ZINC000012302666 558372446 /nfs/dbraw/zinc/37/24/46/558372446.db2.gz WNMNHRFLMSWUBB-QGZVFWFLSA-N 1 1 408.633 4.283 50 0 HIAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000012306047 558375002 /nfs/dbraw/zinc/37/50/02/558375002.db2.gz LBNYBVCBFIWGGN-XBGMYJNYSA-N 1 1 416.525 4.449 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OCc4cccnc4)C3)c(C)o2)cc1 ZINC000012430149 558405036 /nfs/dbraw/zinc/40/50/36/558405036.db2.gz IYZRURNWCDRIKC-OAQYLSRUSA-N 1 1 421.497 4.013 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](OCc4cccnc4)C3)c(C)o2)cc1 ZINC000012430149 558405037 /nfs/dbraw/zinc/40/50/37/558405037.db2.gz IYZRURNWCDRIKC-OAQYLSRUSA-N 1 1 421.497 4.013 50 0 HIAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](CCCn4cccn4)C3)cc2)c1 ZINC000012453762 558416618 /nfs/dbraw/zinc/41/66/18/558416618.db2.gz KNSJONRHRWFWHY-JOCHJYFZSA-N 1 1 418.541 4.300 50 0 HIAAMO CN(C)c1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1 ZINC000012596148 558437696 /nfs/dbraw/zinc/43/76/96/558437696.db2.gz CASJSJBKUUPHPJ-QGZVFWFLSA-N 1 1 410.543 4.320 50 0 HIAAMO 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/nfs/dbraw/zinc/48/25/03/558482503.db2.gz CITIWMDQXSDMKM-MRXNPFEDSA-N 1 1 423.586 4.012 50 0 HIAAMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1F ZINC000022504607 558492303 /nfs/dbraw/zinc/49/23/03/558492303.db2.gz HIZPSKVMFARVGB-UHFFFAOYSA-N 1 1 404.485 4.382 50 0 HIAAMO O=c1c(CN2CC[NH+](Cc3ccccc3)CC2)coc2c(Cl)cc(Cl)cc12 ZINC000022586659 558499880 /nfs/dbraw/zinc/49/98/80/558499880.db2.gz WELIYVICHQXZJV-UHFFFAOYSA-N 1 1 403.309 4.418 50 0 HIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2)cc1 ZINC000013056801 558508672 /nfs/dbraw/zinc/50/86/72/558508672.db2.gz BUJXUNVOHHKNDT-UHFFFAOYSA-N 1 1 417.509 4.326 50 0 HIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2)cc1 ZINC000013056801 558508675 /nfs/dbraw/zinc/50/86/75/558508675.db2.gz BUJXUNVOHHKNDT-UHFFFAOYSA-N 1 1 417.509 4.326 50 0 HIAAMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1Cc1ccccc1 ZINC000022784203 558510583 /nfs/dbraw/zinc/51/05/83/558510583.db2.gz AOUYXYOIKIYLSW-UHFFFAOYSA-N 1 1 405.567 4.095 50 0 HIAAMO COc1ccccc1[C@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)[NH+]1CCCC1 ZINC000013096381 558513161 /nfs/dbraw/zinc/51/31/61/558513161.db2.gz CWFHSHFGTUACAG-FQEVSTJZSA-N 1 1 424.932 4.144 50 0 HIAAMO OCC[C@H]1CN(Cc2ccccc2OC2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC000022926212 558523135 /nfs/dbraw/zinc/52/31/35/558523135.db2.gz VNDZWWLEVYUVMM-NRFANRHFSA-N 1 1 400.588 4.138 50 0 HIAAMO OCC[C@H]1CN(Cc2ccccc2OC2CCCC2)CC[N@H+]1Cc1ccsc1 ZINC000022926212 558523140 /nfs/dbraw/zinc/52/31/40/558523140.db2.gz VNDZWWLEVYUVMM-NRFANRHFSA-N 1 1 400.588 4.138 50 0 HIAAMO CC(=O)c1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022930449 558524257 /nfs/dbraw/zinc/52/42/57/558524257.db2.gz IGLULGWFHZPLQP-QGZVFWFLSA-N 1 1 421.566 4.249 50 0 HIAAMO CC(=O)c1ccc(C(=O)NCC2([N@@H+](C)Cc3ccccc3)Cc3ccccc3C2)cc1 ZINC000023129325 558536942 /nfs/dbraw/zinc/53/69/42/558536942.db2.gz NUZJYCGQBNLFEP-UHFFFAOYSA-N 1 1 412.533 4.289 50 0 HIAAMO CC1CCC2(CC1)NC(=O)N(C[NH+](CCc1ccccc1)CCc1ccccc1)C2=O ZINC000023761590 558574377 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1 1 405.523 4.169 50 0 HIAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 ZINC000026120954 558655697 /nfs/dbraw/zinc/65/56/97/558655697.db2.gz CSWFSJORCFVCRV-UHFFFAOYSA-N 1 1 412.921 4.230 50 0 HIAAMO C[N@@H+](Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1)CC1CCCCC1 ZINC000015000685 558697561 /nfs/dbraw/zinc/69/75/61/558697561.db2.gz NIWDHUFNMNAIFP-FQEVSTJZSA-N 1 1 415.607 4.157 50 0 HIAAMO C[N@H+](Cc1nnc(SCc2ccccn2)n1C[C@@H]1CCCO1)CC1CCCCC1 ZINC000015000685 558697564 /nfs/dbraw/zinc/69/75/64/558697564.db2.gz NIWDHUFNMNAIFP-FQEVSTJZSA-N 1 1 415.607 4.157 50 0 HIAAMO CCn1cc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2-c2ccc(OC)cc2)cn1 ZINC000015063320 558705983 /nfs/dbraw/zinc/70/59/83/558705983.db2.gz ZVBBIEBQDCGAET-QHCPKHFHSA-N 1 1 404.514 4.182 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2-c2ccc(OC)cc2)cn1 ZINC000015063320 558705986 /nfs/dbraw/zinc/70/59/86/558705986.db2.gz ZVBBIEBQDCGAET-QHCPKHFHSA-N 1 1 404.514 4.182 50 0 HIAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 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CN(C)CC(C)(C)C[NH2+]Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000299802366 568876749 /nfs/dbraw/zinc/87/67/49/568876749.db2.gz LDRINLYELMJSOW-UHFFFAOYSA-N 1 1 409.505 4.447 50 0 HIAAMO C[NH+](C)CC(C)(C)CNCc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000299802366 568876750 /nfs/dbraw/zinc/87/67/50/568876750.db2.gz LDRINLYELMJSOW-UHFFFAOYSA-N 1 1 409.505 4.447 50 0 HIAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)/C=C(/C)CCc3ccccc3)cc2)CC1 ZINC000058194027 568898954 /nfs/dbraw/zinc/89/89/54/568898954.db2.gz GSPWLLUUZXGQEL-QOCHGBHMSA-N 1 1 405.586 4.019 50 0 HIAAMO Cc1ccc2cc(C[NH2+][C@H](C)c3ccc(S(N)(=O)=O)cc3)c(Cl)nc2c1C ZINC000012684273 568908080 /nfs/dbraw/zinc/90/80/80/568908080.db2.gz WCDUCDWPISUXQA-CQSZACIVSA-N 1 1 403.935 4.003 50 0 HIAAMO CCC[N@H+](Cc1cc(=O)n2ccccc2n1)[C@@H](C)c1ccccc1Br ZINC000059121858 568910628 /nfs/dbraw/zinc/91/06/28/568910628.db2.gz QPTFOOIPWDNIAH-HNNXBMFYSA-N 1 1 400.320 4.430 50 0 HIAAMO CCC[N@@H+](Cc1cc(=O)n2ccccc2n1)[C@@H](C)c1ccccc1Br ZINC000059121858 568910630 /nfs/dbraw/zinc/91/06/30/568910630.db2.gz QPTFOOIPWDNIAH-HNNXBMFYSA-N 1 1 400.320 4.430 50 0 HIAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)c2ccc(CN3CCC(C)CC3)o2)C1 ZINC000670455445 568930661 /nfs/dbraw/zinc/93/06/61/568930661.db2.gz WBVTWGCWNFSJLJ-NRFANRHFSA-N 1 1 409.574 4.039 50 0 HIAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2ccc(CN3CCC(C)CC3)o2)C1 ZINC000670455445 568930663 /nfs/dbraw/zinc/93/06/63/568930663.db2.gz WBVTWGCWNFSJLJ-NRFANRHFSA-N 1 1 409.574 4.039 50 0 HIAAMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012747780 568933701 /nfs/dbraw/zinc/93/37/01/568933701.db2.gz WOSQZGRRJXFKOG-OAHLLOKOSA-N 1 1 415.921 4.032 50 0 HIAAMO COC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000004086955 568940772 /nfs/dbraw/zinc/94/07/72/568940772.db2.gz BKPSABXSKKXSAK-UHFFFAOYSA-N 1 1 418.584 4.422 50 0 HIAAMO COC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000004086955 568940775 /nfs/dbraw/zinc/94/07/75/568940775.db2.gz BKPSABXSKKXSAK-UHFFFAOYSA-N 1 1 418.584 4.422 50 0 HIAAMO Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000012764909 568947866 /nfs/dbraw/zinc/94/78/66/568947866.db2.gz LUGVTGHBAWYOJZ-QGZVFWFLSA-N 1 1 413.949 4.004 50 0 HIAAMO CCC(CC)[C@H](CNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1)[NH+]1CCOCC1 ZINC000012766791 568948883 /nfs/dbraw/zinc/94/88/83/568948883.db2.gz HYXNRDQKHDRTEB-UUOWRZLLSA-N 1 1 412.574 4.205 50 0 HIAAMO CCCC[N@@H+](CC(=O)NCc1cccc(C(=O)NC2CC2)c1)[C@@H](CC)c1ccccc1 ZINC000084744379 568957915 /nfs/dbraw/zinc/95/79/15/568957915.db2.gz JZXVSBCOXJJPAR-DEOSSOPVSA-N 1 1 421.585 4.448 50 0 HIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(Br)cc1 ZINC000004315250 568961586 /nfs/dbraw/zinc/96/15/86/568961586.db2.gz OLAGIOUTFUTTBZ-UHFFFAOYSA-N 1 1 413.319 4.144 50 0 HIAAMO O=S(=O)(c1ccc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1)N1CCCCC1 ZINC000012854214 569010633 /nfs/dbraw/zinc/01/06/33/569010633.db2.gz MBGQMJRANZBRHU-UHFFFAOYSA-N 1 1 413.370 4.458 50 0 HIAAMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccc(Br)cc1 ZINC000015831707 569012378 /nfs/dbraw/zinc/01/23/78/569012378.db2.gz OISWPNBJSVPDNX-KRWDZBQOSA-N 1 1 402.336 4.135 50 0 HIAAMO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000012908235 569021578 /nfs/dbraw/zinc/02/15/78/569021578.db2.gz UHJCAHHKTBWZRN-OAQYLSRUSA-N 1 1 405.523 4.191 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000012930811 569024618 /nfs/dbraw/zinc/02/46/18/569024618.db2.gz WRSUUOHKPVSFMD-YWZLYKJASA-N 1 1 402.922 4.372 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2Cl)c1 ZINC000012930811 569024619 /nfs/dbraw/zinc/02/46/19/569024619.db2.gz WRSUUOHKPVSFMD-YWZLYKJASA-N 1 1 402.922 4.372 50 0 HIAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1O ZINC000006230775 569033717 /nfs/dbraw/zinc/03/37/17/569033717.db2.gz KOMRLLIEKTXNSF-NRFANRHFSA-N 1 1 421.522 4.450 50 0 HIAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1O ZINC000006230775 569033718 /nfs/dbraw/zinc/03/37/18/569033718.db2.gz KOMRLLIEKTXNSF-NRFANRHFSA-N 1 1 421.522 4.450 50 0 HIAAMO CN(C(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000222018519 569039753 /nfs/dbraw/zinc/03/97/53/569039753.db2.gz ZRAOIVLDVHSHPI-WOJBJXKFSA-N 1 1 410.965 4.280 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560165 569044916 /nfs/dbraw/zinc/04/49/16/569044916.db2.gz PXCPWPGZKSHZBQ-KRWDZBQOSA-N 1 1 410.949 4.342 50 0 HIAAMO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242302139 569055035 /nfs/dbraw/zinc/05/50/35/569055035.db2.gz YPVWNGYVHNXNSG-GBXCKJPGSA-N 1 1 412.505 4.247 50 0 HIAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242302139 569055036 /nfs/dbraw/zinc/05/50/36/569055036.db2.gz YPVWNGYVHNXNSG-GBXCKJPGSA-N 1 1 412.505 4.247 50 0 HIAAMO COc1ccc([C@H]2N([C@@H]3CCOC(C)(C)C3)CC[N@H+]2[C@H]2CCOC(C)(C)C2)cc1 ZINC000245255200 569055433 /nfs/dbraw/zinc/05/54/33/569055433.db2.gz GBNXAEASSPMFBH-XVAYZXCPSA-N 1 1 402.579 4.227 50 0 HIAAMO COc1ccc([C@H]2N([C@@H]3CCOC(C)(C)C3)CC[N@@H+]2[C@H]2CCOC(C)(C)C2)cc1 ZINC000245255200 569055432 /nfs/dbraw/zinc/05/54/32/569055432.db2.gz GBNXAEASSPMFBH-XVAYZXCPSA-N 1 1 402.579 4.227 50 0 HIAAMO COc1ccc([C@@H]2N([C@H]3CCOC(C)(C)C3)CC[N@@H+]2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000245255200 569055434 /nfs/dbraw/zinc/05/54/34/569055434.db2.gz GBNXAEASSPMFBH-XVAYZXCPSA-N 1 1 402.579 4.227 50 0 HIAAMO COc1ccc([C@@H]2N([C@H]3CCOC(C)(C)C3)CC[N@H+]2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000245255200 569055435 /nfs/dbraw/zinc/05/54/35/569055435.db2.gz GBNXAEASSPMFBH-XVAYZXCPSA-N 1 1 402.579 4.227 50 0 HIAAMO Cc1oc2c(c1C(=O)N1CC[C@]3(C1)CCC[N@@H+](CCc1ccccc1)C3)C(=O)CCC2 ZINC000426368151 569072546 /nfs/dbraw/zinc/07/25/46/569072546.db2.gz BDIBNPNRMUGWMJ-AREMUKBSSA-N 1 1 420.553 4.278 50 0 HIAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2C)cc1 ZINC000036031230 569080983 /nfs/dbraw/zinc/08/09/83/569080983.db2.gz WOWNIAOALOUPSJ-QHCPKHFHSA-N 1 1 419.521 4.474 50 0 HIAAMO CC[NH+]1CCN(c2nn3c(nc(-c4cccc(F)c4)c3NC3CCCC3)s2)CC1 ZINC000064746055 569088239 /nfs/dbraw/zinc/08/82/39/569088239.db2.gz CXWGVJNNDJLRDR-UHFFFAOYSA-N 1 1 414.554 4.093 50 0 HIAAMO COc1cc(C[N@@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)cc(OC)c1 ZINC000036095133 569089888 /nfs/dbraw/zinc/08/98/88/569089888.db2.gz CRFOXPNYENHTMW-JOCHJYFZSA-N 1 1 401.547 4.130 50 0 HIAAMO Cc1ccccc1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1 ZINC000036104591 569092559 /nfs/dbraw/zinc/09/25/59/569092559.db2.gz OHYUMLHDTMRCHL-QFIPXVFZSA-N 1 1 405.494 4.166 50 0 HIAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2)cc(C)[nH+]1 ZINC000064801739 569097934 /nfs/dbraw/zinc/09/79/34/569097934.db2.gz BRDUCZPBOQRCHD-UHFFFAOYSA-N 1 1 411.531 4.324 50 0 HIAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)cc(C)[nH+]1 ZINC000064802054 569097945 /nfs/dbraw/zinc/09/79/45/569097945.db2.gz QDTPPFJEFNCZJV-UHFFFAOYSA-N 1 1 411.531 4.378 50 0 HIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000169681304 569127405 /nfs/dbraw/zinc/12/74/05/569127405.db2.gz MNSBERTVXDNUAV-ZEQRLZLVSA-N 1 1 410.558 4.386 50 0 HIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3nc(N4CCCCC4)sc3c2)C1 ZINC000006806255 569130996 /nfs/dbraw/zinc/13/09/96/569130996.db2.gz KDXQGPFMMPTGGP-HDICACEKSA-N 1 1 414.619 4.384 50 0 HIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)C1 ZINC000064968153 569137830 /nfs/dbraw/zinc/13/78/30/569137830.db2.gz SHMGZQDPTYJVMQ-LJQANCHMSA-N 1 1 405.542 4.465 50 0 HIAAMO C[N@@H+](CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2)C1CCCCC1 ZINC000036344429 569142672 /nfs/dbraw/zinc/14/26/72/569142672.db2.gz URIWXZIOQSDGQX-JOCHJYFZSA-N 1 1 419.525 4.358 50 0 HIAAMO COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)C[NH+]2CCCCC2)c(OC)c1 ZINC000036343416 569142831 /nfs/dbraw/zinc/14/28/31/569142831.db2.gz KXCNSMBISVZQCF-QHCPKHFHSA-N 1 1 421.541 4.176 50 0 HIAAMO CCOC(=O)c1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)cc1 ZINC000006877399 569164267 /nfs/dbraw/zinc/16/42/67/569164267.db2.gz GJCGQHRRHPIOEC-LJQANCHMSA-N 1 1 421.541 4.166 50 0 HIAAMO CC1=C(C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)C2(CCCCCC2)OC1=O ZINC000006933801 569184627 /nfs/dbraw/zinc/18/46/27/569184627.db2.gz RZGAHATZUUZLKP-UHFFFAOYSA-N 1 1 412.574 4.370 50 0 biogenic HIAAMO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(C)cc4C)CC3)n2)c1 ZINC000065184122 569191263 /nfs/dbraw/zinc/19/12/63/569191263.db2.gz LJCCHKXTRBDJPR-UHFFFAOYSA-N 1 1 404.514 4.480 50 0 HIAAMO CC[N@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007017531 569201184 /nfs/dbraw/zinc/20/11/84/569201184.db2.gz MSMSCVLQQKANLD-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007017531 569201186 /nfs/dbraw/zinc/20/11/86/569201186.db2.gz MSMSCVLQQKANLD-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO C[NH+]1CCN(NC(=O)c2cc(-c3ccccc3Cl)nc3ccc(Cl)cc32)CC1 ZINC000007058423 569214542 /nfs/dbraw/zinc/21/45/42/569214542.db2.gz YZISFWBSPKFFAX-UHFFFAOYSA-N 1 1 415.324 4.101 50 0 HIAAMO CCc1ccc(C[NH+]2CCN(C(=O)Nc3cc(Cl)c(OC)cc3OC)CC2)cc1 ZINC000013322891 569254861 /nfs/dbraw/zinc/25/48/61/569254861.db2.gz UQCAXUFJMUQWSQ-UHFFFAOYSA-N 1 1 417.937 4.269 50 0 HIAAMO CC(C)[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCCC[C@@H]1O ZINC000089869659 569267611 /nfs/dbraw/zinc/26/76/11/569267611.db2.gz IXSQVEZGBODXMZ-RYUDHWBXSA-N 1 1 400.342 4.075 50 0 HIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N1CCC(c2ccccc2)=N1 ZINC000007579667 569268845 /nfs/dbraw/zinc/26/88/45/569268845.db2.gz IIEWBGUJTJIDOE-UHFFFAOYSA-N 1 1 404.539 4.112 50 0 HIAAMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000089941689 569269279 /nfs/dbraw/zinc/26/92/79/569269279.db2.gz MREOAUORECHLJK-SJORKVTESA-N 1 1 422.451 4.121 50 0 HIAAMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000089941689 569269280 /nfs/dbraw/zinc/26/92/80/569269280.db2.gz MREOAUORECHLJK-SJORKVTESA-N 1 1 422.451 4.121 50 0 HIAAMO C[N@H+]1CCCN(c2ccc(NC(=O)N3CCC[C@H]3c3ccsc3)cc2F)CC1 ZINC000252452493 569286310 /nfs/dbraw/zinc/28/63/10/569286310.db2.gz LPCNGWRYTYYOKE-IBGZPJMESA-N 1 1 402.539 4.398 50 0 HIAAMO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCc4ccnc(O[C@@H]5CCOC5)c4)[C@H]3C2)cc1 ZINC000252539711 569293231 /nfs/dbraw/zinc/29/32/31/569293231.db2.gz OKLILQZBYPVCSW-NDBXHCKUSA-N 1 1 421.585 4.030 50 0 HIAAMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCc4ccnc(O[C@@H]5CCOC5)c4)[C@H]3C2)cc1 ZINC000252539711 569293232 /nfs/dbraw/zinc/29/32/32/569293232.db2.gz OKLILQZBYPVCSW-NDBXHCKUSA-N 1 1 421.585 4.030 50 0 HIAAMO CCOc1ccc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000007686800 569300807 /nfs/dbraw/zinc/30/08/07/569300807.db2.gz UEOVNVOFRPUZNY-HNNXBMFYSA-N 1 1 405.336 4.157 50 0 HIAAMO CCOc1ccc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)cc1 ZINC000007686800 569300809 /nfs/dbraw/zinc/30/08/09/569300809.db2.gz UEOVNVOFRPUZNY-HNNXBMFYSA-N 1 1 405.336 4.157 50 0 HIAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c2ccccc2)cc1 ZINC000007855479 569314819 /nfs/dbraw/zinc/31/48/19/569314819.db2.gz 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HIAAMO CCCCc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@H+](CCC)CC3)cc1 ZINC000067291894 571068348 /nfs/dbraw/zinc/06/83/48/571068348.db2.gz JIIZCJPCWYHISF-UHFFFAOYSA-N 1 1 414.575 4.024 50 0 HIAAMO CCCCc1ccc(NC(=O)CSc2nc3c(c(=O)[nH]2)C[N@@H+](CCC)CC3)cc1 ZINC000067291894 571068349 /nfs/dbraw/zinc/06/83/49/571068349.db2.gz JIIZCJPCWYHISF-UHFFFAOYSA-N 1 1 414.575 4.024 50 0 HIAAMO CCOC(=O)Nc1ccc(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)cc1 ZINC000040034531 571141650 /nfs/dbraw/zinc/14/16/50/571141650.db2.gz YYRPCKIQVZZSGL-GJZGRUSLSA-N 1 1 416.547 4.442 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2ccc(Cl)s2)cc1OC ZINC000040067060 571148001 /nfs/dbraw/zinc/14/80/01/571148001.db2.gz OFOLHZQWKVNEOG-INIZCTEOSA-N 1 1 408.951 4.214 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Cl)s2)cc1OC ZINC000040067060 571148002 /nfs/dbraw/zinc/14/80/02/571148002.db2.gz OFOLHZQWKVNEOG-INIZCTEOSA-N 1 1 408.951 4.214 50 0 HIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(Br)c2)N3)C1 ZINC000008927640 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1 423.586 4.179 50 0 HIAAMO Cc1cccc(-n2ccnc2C[N@@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000011663800 845823289 /nfs/dbraw/zinc/82/32/89/845823289.db2.gz AMLKFVCVKNVNNP-HXUWFJFHSA-N 1 1 404.514 4.028 50 0 HIAAMO Cc1cccc(-n2ccnc2C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)c1 ZINC000011663800 845823295 /nfs/dbraw/zinc/82/32/95/845823295.db2.gz AMLKFVCVKNVNNP-HXUWFJFHSA-N 1 1 404.514 4.028 50 0 HIAAMO COc1cc(O)ccc1CN(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000011937531 845841907 /nfs/dbraw/zinc/84/19/07/845841907.db2.gz FQMGZNFGDJQMJK-UHFFFAOYSA-N 1 1 409.574 4.453 50 0 HIAAMO CC(C)CC[N@@H+]1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012134963 845855674 /nfs/dbraw/zinc/85/56/74/845855674.db2.gz QMJMRHFZBTYLFM-UHFFFAOYSA-N 1 1 409.574 4.366 50 0 HIAAMO CC(C)CC[N@H+]1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000012134963 845855678 /nfs/dbraw/zinc/85/56/78/845855678.db2.gz QMJMRHFZBTYLFM-UHFFFAOYSA-N 1 1 409.574 4.366 50 0 HIAAMO C[N@H+]1CCC[C@@H](CN(CCc2ccccc2)C(=O)c2ccccc2-c2ncc[nH]2)C1 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/nfs/dbraw/zinc/87/30/59/845873059.db2.gz FEUPKKMVFXAYHF-GOSISDBHSA-N 1 1 418.493 4.317 50 0 HIAAMO COCc1ccc(CNc2nc(C)c(-c3ccn(C[C@H]4CCC[N@@H+](C)C4)n3)s2)o1 ZINC000014975708 845995446 /nfs/dbraw/zinc/99/54/46/845995446.db2.gz CTYFCYDZPWBRSO-INIZCTEOSA-N 1 1 415.563 4.008 50 0 HIAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000015065142 846005673 /nfs/dbraw/zinc/00/56/73/846005673.db2.gz MQSDNDHMYKOEQT-SFHVURJKSA-N 1 1 402.454 4.334 50 0 HIAAMO CCOc1ccccc1-c1n[nH]c2c1C[N@H+](Cc1cnc(-c3ccco3)nc1)CC2 ZINC000019741872 846372698 /nfs/dbraw/zinc/37/26/98/846372698.db2.gz GQIYIVXWDCBPQF-UHFFFAOYSA-N 1 1 401.470 4.084 50 0 HIAAMO CCOc1ccccc1-c1n[nH]c2c1C[N@@H+](Cc1cnc(-c3ccco3)nc1)CC2 ZINC000019741872 846372712 /nfs/dbraw/zinc/37/27/12/846372712.db2.gz GQIYIVXWDCBPQF-UHFFFAOYSA-N 1 1 401.470 4.084 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(C)cc3)C2)cc(OC)c1O ZINC000020205803 846382150 /nfs/dbraw/zinc/38/21/50/846382150.db2.gz YUIKTCLPGHJQAV-LJQANCHMSA-N 1 1 407.514 4.488 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3nc(-c4ccccc4)no3)C2)cc1 ZINC000023339156 846686544 /nfs/dbraw/zinc/68/65/44/846686544.db2.gz HRPNAJSVRMQDHA-OAQYLSRUSA-N 1 1 420.557 4.132 50 0 HIAAMO OCCOc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043056972 848379765 /nfs/dbraw/zinc/37/97/65/848379765.db2.gz DFFYTEKFCBRMON-IBGZPJMESA-N 1 1 411.933 4.481 50 0 HIAAMO COCC[NH+]1CCC(CN(Cc2ccncc2)Cc2ccccc2OC(F)F)CC1 ZINC000055182896 849984366 /nfs/dbraw/zinc/98/43/66/849984366.db2.gz CEPQSRYWLCOYNB-UHFFFAOYSA-N 1 1 419.516 4.044 50 0 HIAAMO CC(C)c1nnc([C@@H]2C[N@@H+](C)CC23CCN(Cc2ccc(F)cc2Cl)CC3)o1 ZINC000257174446 854232988 /nfs/dbraw/zinc/23/29/88/854232988.db2.gz HBVAZQXZLVCJBJ-KRWDZBQOSA-N 1 1 406.933 4.297 50 0 HIAAMO CC[C@@H]1C[N@@H+](CCC(=O)N2CCCC[C@H]2c2ccccn2)Cc2cc(OC)ccc2O1 ZINC000299761689 854280796 /nfs/dbraw/zinc/28/07/96/854280796.db2.gz MXWHHJVCLBFHQK-OFNKIYASSA-N 1 1 423.557 4.207 50 0 HIAAMO CCCc1nc2sc3c(nc(SC)nc3N3CC[NH+](C)CC3)c2c2c1CCC2 ZINC000002417721 132254271 /nfs/dbraw/zinc/25/42/71/132254271.db2.gz ABQOKAMREXQXIW-UHFFFAOYSA-N 1 1 413.616 4.154 50 0 HIAAMO Cc1nn2c(nc(C)cc2N2CCN(c3cccc(C)[nH+]3)CC2)c1-c1ccc(C)cc1 ZINC000007636206 132325299 /nfs/dbraw/zinc/32/52/99/132325299.db2.gz JBPOPHGRAMZZAT-UHFFFAOYSA-N 1 1 412.541 4.352 50 0 HIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cc(C)cc(C)c4)CC3)n2)cc1 ZINC000009573247 132341173 /nfs/dbraw/zinc/34/11/73/132341173.db2.gz IGRGPCSAYYRGFJ-UHFFFAOYSA-N 1 1 415.541 4.416 50 0 HIAAMO CC(C)c1ccc(CNC(=O)C2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000040930033 519835941 /nfs/dbraw/zinc/83/59/41/519835941.db2.gz VHAXSJUBXNZEDA-UHFFFAOYSA-N 1 1 418.541 4.388 50 0 HIAAMO CC[N@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000032937457 521159870 /nfs/dbraw/zinc/15/98/70/521159870.db2.gz NZQOCQRJNSGLBB-RUZDIDTESA-N 1 1 400.327 4.352 50 0 HIAAMO CC[N@@H+](CC[S@](=O)c1cc(Cl)ccc1Cl)Cc1ccc2c(c1)OCO2 ZINC000032937457 521159877 /nfs/dbraw/zinc/15/98/77/521159877.db2.gz NZQOCQRJNSGLBB-RUZDIDTESA-N 1 1 400.327 4.352 50 0 HIAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](N3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000020541787 523404995 /nfs/dbraw/zinc/40/49/95/523404995.db2.gz BDDMKBPOKRJURF-UQPVFDRXSA-N 1 1 409.549 4.134 50 0 HIAAMO COc1ccc(/C=C/CN2CCC[C@H]([NH+]3CCN(c4ccc(F)cc4)CC3)C2)cc1 ZINC000020541787 523405007 /nfs/dbraw/zinc/40/50/07/523405007.db2.gz BDDMKBPOKRJURF-UQPVFDRXSA-N 1 1 409.549 4.134 50 0 HIAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3cc4c(cc3nc1-c1ccc(F)cc1)OCO4)C2 ZINC000072417801 524031375 /nfs/dbraw/zinc/03/13/75/524031375.db2.gz XXMAQQFYIKMHSA-LEWJYISDSA-N 1 1 419.500 4.438 50 0 HIAAMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cc3csc(-c4ccco4)n3)cc2)C1 ZINC000032930097 524097171 /nfs/dbraw/zinc/09/71/71/524097171.db2.gz PHPMGHHJJJPCDN-KRWDZBQOSA-N 1 1 409.555 4.494 50 0 HIAAMO C[C@@H](CNC(=O)c1cc(Br)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000032800719 524712299 /nfs/dbraw/zinc/71/22/99/524712299.db2.gz MKASPWRFSUMJOR-ZDUSSCGKSA-N 1 1 407.739 4.279 50 0 HIAAMO Cc1noc(C)c1CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000031938529 526485216 /nfs/dbraw/zinc/48/52/16/526485216.db2.gz XLHDWQZZXPBSLB-UHFFFAOYSA-N 1 1 409.555 4.297 50 0 HIAAMO Cc1nc(CSCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)cs1 ZINC000032931235 526912512 /nfs/dbraw/zinc/91/25/12/526912512.db2.gz WNQIMNXJIVQCFI-MRXNPFEDSA-N 1 1 403.617 4.376 50 0 HIAAMO Cc1nc2ccc(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)cc2nc1C ZINC000032841399 527135777 /nfs/dbraw/zinc/13/57/77/527135777.db2.gz ZHZWYJAXAPLOJL-JOCHJYFZSA-N 1 1 408.933 4.467 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2 ZINC000004908538 535567516 /nfs/dbraw/zinc/56/75/16/535567516.db2.gz PONLLOHPKYCQOD-HXUWFJFHSA-N 1 1 413.562 4.152 50 0 HIAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCC(OC)OC)cc1 ZINC000001447722 557266840 /nfs/dbraw/zinc/26/68/40/557266840.db2.gz GVHVOVNMTVORRQ-UHFFFAOYSA-N 1 1 404.470 4.127 50 0 HIAAMO COc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000034668201 557361616 /nfs/dbraw/zinc/36/16/16/557361616.db2.gz ZDVRLMOSNBQKLN-UHFFFAOYSA-N 1 1 415.965 4.057 50 0 HIAAMO C[NH+]1CCN(C(=O)c2cc3sccc3n2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000034678440 557366655 /nfs/dbraw/zinc/36/66/55/557366655.db2.gz HFGGEPUKYPNWIN-UHFFFAOYSA-N 1 1 407.461 4.158 50 0 HIAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000002734651 557373641 /nfs/dbraw/zinc/37/36/41/557373641.db2.gz LZVXMQSBBKKRHL-LJQANCHMSA-N 1 1 401.348 4.320 50 0 HIAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000034740293 557443846 /nfs/dbraw/zinc/44/38/46/557443846.db2.gz NQCIRBLFTLMGGH-ILBGXUMGSA-N 1 1 423.601 4.446 50 0 HIAAMO C[C@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000004664848 557578372 /nfs/dbraw/zinc/57/83/72/557578372.db2.gz GFRXZFCEZIIFSF-HZSPNIEDSA-N 1 1 401.288 4.099 50 0 HIAAMO O=C1C[C@H]([NH+]2CCC(CCc3cccc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000004772629 557596653 /nfs/dbraw/zinc/59/66/53/557596653.db2.gz KEAWYIHNWRQLBH-NRFANRHFSA-N 1 1 414.908 4.456 50 0 HIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)c(C)c1 ZINC000011814338 558278811 /nfs/dbraw/zinc/27/88/11/558278811.db2.gz NIDCJZUACYCXBI-KRWDZBQOSA-N 1 1 418.969 4.330 50 0 HIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1n[nH]c2ccccc21 ZINC000011818915 558282261 /nfs/dbraw/zinc/28/22/61/558282261.db2.gz BIEOHVAIRCKHAW-LJQANCHMSA-N 1 1 408.521 4.119 50 0 HIAAMO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1[nH]nc2ccccc21 ZINC000011818915 558282265 /nfs/dbraw/zinc/28/22/65/558282265.db2.gz BIEOHVAIRCKHAW-LJQANCHMSA-N 1 1 408.521 4.119 50 0 HIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1[nH]nc2ccccc21 ZINC000011818915 558282269 /nfs/dbraw/zinc/28/22/69/558282269.db2.gz BIEOHVAIRCKHAW-LJQANCHMSA-N 1 1 408.521 4.119 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)Cn1ncc2ccccc21 ZINC000011840499 558286616 /nfs/dbraw/zinc/28/66/16/558286616.db2.gz RRRUISDPFPENMR-FQEVSTJZSA-N 1 1 424.976 4.103 50 0 HIAAMO Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCN(c4cc(C)cc[nH+]4)CC3)cc12 ZINC000019825440 558290989 /nfs/dbraw/zinc/29/09/89/558290989.db2.gz ZQGOVKZKLQJXRU-UHFFFAOYSA-N 1 1 417.538 4.061 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(F)c1 ZINC000011873976 558291622 /nfs/dbraw/zinc/29/16/22/558291622.db2.gz BNRIYFSWLSQTQO-RUZDIDTESA-N 1 1 420.532 4.215 50 0 HIAAMO O[C@@H](COc1ccc2ccccc2c1Cl)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019848867 558295163 /nfs/dbraw/zinc/29/51/63/558295163.db2.gz RBFYMGSTKUNESX-HXUWFJFHSA-N 1 1 414.908 4.194 50 0 HIAAMO COc1cccc(C[N@@H+]2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)c1 ZINC000011909353 558296489 /nfs/dbraw/zinc/29/64/89/558296489.db2.gz RPNYVLHUFSJIIP-AREMUKBSSA-N 1 1 419.521 4.376 50 0 HIAAMO COc1cccc(C[N@H+]2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)c1 ZINC000011909353 558296490 /nfs/dbraw/zinc/29/64/90/558296490.db2.gz RPNYVLHUFSJIIP-AREMUKBSSA-N 1 1 419.521 4.376 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(C)c3)C2)c(OC)c1 ZINC000012020017 558309233 /nfs/dbraw/zinc/30/92/33/558309233.db2.gz MTRPPRCCPFDUBN-FQEVSTJZSA-N 1 1 410.558 4.321 50 0 HIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C(C)C)no1 ZINC000012057320 558316394 /nfs/dbraw/zinc/31/63/94/558316394.db2.gz GDHNZENQYKGEIG-LJQANCHMSA-N 1 1 401.526 4.354 50 0 HIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cc(C(C)C)no1 ZINC000012057322 558316414 /nfs/dbraw/zinc/31/64/14/558316414.db2.gz GDHNZENQYKGEIG-IBGZPJMESA-N 1 1 401.526 4.354 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000012072515 558317818 /nfs/dbraw/zinc/31/78/18/558317818.db2.gz WISXFNKAVJJSIP-SFHVURJKSA-N 1 1 423.532 4.342 50 0 HIAAMO COC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020026853 558322550 /nfs/dbraw/zinc/32/25/50/558322550.db2.gz MBEKPPFVFLZHOP-UHFFFAOYSA-N 1 1 400.478 4.284 50 0 HIAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000012091105 558324084 /nfs/dbraw/zinc/32/40/84/558324084.db2.gz JUOXIBIGNNRSIU-QFIPXVFZSA-N 1 1 416.569 4.207 50 0 HIAAMO C[N@@H+](Cc1ccc(OCCNC(=O)[C@@H]2CCCO2)cc1)Cc1cccc2ccccc21 ZINC000012127211 558331270 /nfs/dbraw/zinc/33/12/70/558331270.db2.gz BEXMNQHIFAJUKP-VWLOTQADSA-N 1 1 418.537 4.146 50 0 HIAAMO COc1cccc(C[N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 ZINC000012193293 558348334 /nfs/dbraw/zinc/34/83/34/558348334.db2.gz NEGARJCWOYMLPU-QFIPXVFZSA-N 1 1 403.482 4.486 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2Oc2cccnc2)c1 ZINC000012193293 558348340 /nfs/dbraw/zinc/34/83/40/558348340.db2.gz NEGARJCWOYMLPU-QFIPXVFZSA-N 1 1 403.482 4.486 50 0 HIAAMO O=C(c1ccc(-c2cc[nH]n2)cc1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012199666 558350901 /nfs/dbraw/zinc/35/09/01/558350901.db2.gz PMRDECYHQXQNIK-AREMUKBSSA-N 1 1 414.553 4.248 50 0 HIAAMO C[N@H+]1CCC[C@@]2(CCCN(C(=O)c3csc4nc(-c5ccccc5F)cn34)C2)C1 ZINC000012200834 558351221 /nfs/dbraw/zinc/35/12/21/558351221.db2.gz WOZJTQSBCQCZLL-JOCHJYFZSA-N 1 1 412.534 4.150 50 0 HIAAMO COc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1OC ZINC000020274581 558353339 /nfs/dbraw/zinc/35/33/39/558353339.db2.gz NBQPFXMPBAUKCD-UHFFFAOYSA-N 1 1 416.521 4.251 50 0 HIAAMO CC(=O)Oc1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020310595 558354990 /nfs/dbraw/zinc/35/49/90/558354990.db2.gz IXZRGKJSLPVPBZ-UHFFFAOYSA-N 1 1 414.505 4.159 50 0 HIAAMO CN(Cc1ccc(Oc2ncccn2)cc1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020387201 558359154 /nfs/dbraw/zinc/35/91/54/558359154.db2.gz ZXSUISCHSSZNFM-QHCPKHFHSA-N 1 1 414.553 4.333 50 0 HIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000012303439 558373040 /nfs/dbraw/zinc/37/30/40/558373040.db2.gz RFVMNANEWSIVAU-SFHVURJKSA-N 1 1 403.929 4.291 50 0 HIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000012314008 558377491 /nfs/dbraw/zinc/37/74/91/558377491.db2.gz VHJLPOZSSNYTRV-HXUWFJFHSA-N 1 1 420.553 4.454 50 0 HIAAMO COc1cccc2ccc(C[N@H+]3CCC[C@](CO)(Cc4ccc(F)cc4F)C3)nc21 ZINC000012439539 558410956 /nfs/dbraw/zinc/41/09/56/558410956.db2.gz JLNCOBCGDIMRAM-DEOSSOPVSA-N 1 1 412.480 4.339 50 0 HIAAMO COc1ccc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441085 558412126 /nfs/dbraw/zinc/41/21/26/558412126.db2.gz WCRABKVSJIARSP-OAQYLSRUSA-N 1 1 400.538 4.229 50 0 HIAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012446043 558414064 /nfs/dbraw/zinc/41/40/64/558414064.db2.gz UJHGTZBABHOAFZ-QHCPKHFHSA-N 1 1 401.510 4.370 50 0 HIAAMO O=C(c1cnc2ccccc2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021004306 558428477 /nfs/dbraw/zinc/42/84/77/558428477.db2.gz HHFTYEKEBTXSPR-UHFFFAOYSA-N 1 1 408.505 4.177 50 0 HIAAMO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)CC1=CCCCC1 ZINC000012572567 558429738 /nfs/dbraw/zinc/42/97/38/558429738.db2.gz XZQMCNZXXBHWMW-JOCHJYFZSA-N 1 1 410.602 4.231 50 0 HIAAMO CC(C)n1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012586533 558434119 /nfs/dbraw/zinc/43/41/19/558434119.db2.gz IDQSBAHMYUZLJS-LJQANCHMSA-N 1 1 402.970 4.144 50 0 HIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCC(C)CC2)o1 ZINC000021659848 558444865 /nfs/dbraw/zinc/44/48/65/558444865.db2.gz JODZTBRSKMECBS-LJQANCHMSA-N 1 1 408.498 4.206 50 0 HIAAMO CCc1onc(C)c1[C@@H]1CCC[N@H+]1Cc1cn(CC(=O)OC)c2ccc(OC)cc12 ZINC000021720723 558446676 /nfs/dbraw/zinc/44/66/76/558446676.db2.gz RIMAKPFPAYULGB-FQEVSTJZSA-N 1 1 411.502 4.019 50 0 HIAAMO CCCn1ncc(CN(CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1C ZINC000012706940 558450350 /nfs/dbraw/zinc/45/03/50/558450350.db2.gz RKUVYMPYKSXAIG-HSZRJFAPSA-N 1 1 412.622 4.387 50 0 HIAAMO CCCn1ncc(C[N@H+](CC)C[C@H]2CCCN(CCc3cccc(OC)c3)C2)c1C ZINC000012706940 558450361 /nfs/dbraw/zinc/45/03/61/558450361.db2.gz RKUVYMPYKSXAIG-HSZRJFAPSA-N 1 1 412.622 4.387 50 0 HIAAMO CCCn1ncc(C[N@@H+](CC)C[C@H]2CCCN(CCc3cccc(OC)c3)C2)c1C ZINC000012706940 558450364 /nfs/dbraw/zinc/45/03/64/558450364.db2.gz RKUVYMPYKSXAIG-HSZRJFAPSA-N 1 1 412.622 4.387 50 0 HIAAMO CCOc1cccc(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c1 ZINC000012711600 558452666 /nfs/dbraw/zinc/45/26/66/558452666.db2.gz WEVGBHZELZUWHP-QHCPKHFHSA-N 1 1 422.613 4.413 50 0 HIAAMO CC(C)[N@H+]1CC[C@H](CN(C)C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1 ZINC000012716059 558455181 /nfs/dbraw/zinc/45/51/81/558455181.db2.gz FBWQEGHVOSGJME-HXUWFJFHSA-N 1 1 405.542 4.415 50 0 HIAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)n1 ZINC000012744288 558457658 /nfs/dbraw/zinc/45/76/58/558457658.db2.gz KEJLVQXSBBISOK-VWLOTQADSA-N 1 1 407.533 4.445 50 0 HIAAMO C[N@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012788893 558464216 /nfs/dbraw/zinc/46/42/16/558464216.db2.gz OBZOHRGNKIXHGO-UHFFFAOYSA-N 1 1 413.827 4.258 50 0 HIAAMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1C(F)(F)F ZINC000012788893 558464219 /nfs/dbraw/zinc/46/42/19/558464219.db2.gz OBZOHRGNKIXHGO-UHFFFAOYSA-N 1 1 413.827 4.258 50 0 HIAAMO Cc1ccc2c(cccc2OCC[NH+]2CCN(Cc3cccc4cccnc43)CC2)n1 ZINC000022445253 558489914 /nfs/dbraw/zinc/48/99/14/558489914.db2.gz RMCSKUADBRROSI-UHFFFAOYSA-N 1 1 412.537 4.288 50 0 in-vitro HIAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000012975243 558491001 /nfs/dbraw/zinc/49/10/01/558491001.db2.gz XFGZJUXERREYNZ-CQSZACIVSA-N 1 1 406.313 4.283 50 0 HIAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000012975243 558491003 /nfs/dbraw/zinc/49/10/03/558491003.db2.gz XFGZJUXERREYNZ-CQSZACIVSA-N 1 1 406.313 4.283 50 0 HIAAMO Cc1cc(C(=O)CN2CC[NH+](C)CC2)c(C)n1C(c1ccccc1)c1ccccc1 ZINC000022817041 558514595 /nfs/dbraw/zinc/51/45/95/558514595.db2.gz CAONPYKABUQONO-UHFFFAOYSA-N 1 1 401.554 4.173 50 0 HIAAMO OCC[C@H]1CN(C2CCN(c3cccc(Cl)c3)CC2)CC[N@H+]1CC1CCCCC1 ZINC000023373207 558553044 /nfs/dbraw/zinc/55/30/44/558553044.db2.gz LCZMBDBXBKCQSK-DEOSSOPVSA-N 1 1 420.041 4.258 50 0 HIAAMO Cc1occc1-c1nnc(SC[C@H]2C[N@@H+](CC(C)C)CCO2)n1-c1ccccc1 ZINC000023882937 558580287 /nfs/dbraw/zinc/58/02/87/558580287.db2.gz FMHDXBMOUKRQHG-LJQANCHMSA-N 1 1 412.559 4.285 50 0 HIAAMO Brc1ccc(-c2ccc(C[NH+]3CCN(c4nccs4)CC3)o2)cc1 ZINC000014019398 558613877 /nfs/dbraw/zinc/61/38/77/558613877.db2.gz JNROLEDMKUXCQH-UHFFFAOYSA-N 1 1 404.333 4.488 50 0 HIAAMO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000024928078 558621205 /nfs/dbraw/zinc/62/12/05/558621205.db2.gz HVXAWMUFCZZSCF-HXUWFJFHSA-N 1 1 409.917 4.318 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@H+](Cc1ccc(C(N)=O)cc1)CC2 ZINC000014201852 558637217 /nfs/dbraw/zinc/63/72/17/558637217.db2.gz NGQKUAFJDAAQPL-QFIPXVFZSA-N 1 1 408.523 4.012 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H](c1cccs1)[N@@H+](Cc1ccc(C(N)=O)cc1)CC2 ZINC000014201852 558637219 /nfs/dbraw/zinc/63/72/19/558637219.db2.gz NGQKUAFJDAAQPL-QFIPXVFZSA-N 1 1 408.523 4.012 50 0 HIAAMO FC(F)(F)c1cccc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000014882929 558676642 /nfs/dbraw/zinc/67/66/42/558676642.db2.gz NNZXSTXXXSLDKR-UHFFFAOYSA-N 1 1 400.448 4.140 50 0 HIAAMO FC(F)(F)c1cccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)c1 ZINC000014882929 558676643 /nfs/dbraw/zinc/67/66/43/558676643.db2.gz NNZXSTXXXSLDKR-UHFFFAOYSA-N 1 1 400.448 4.140 50 0 HIAAMO O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]2C[N@@H+](Cc3ccsc3)CC[C@H]21 ZINC000014887543 558677785 /nfs/dbraw/zinc/67/77/85/558677785.db2.gz PHLVEHJXMVZKLV-YLJYHZDGSA-N 1 1 404.963 4.293 50 0 HIAAMO Cc1c2cc(Cl)ccc2oc1C(=O)NCC1(N2CC[NH+](C)CC2)CCCCC1 ZINC000027795580 558683438 /nfs/dbraw/zinc/68/34/38/558683438.db2.gz NWXIXOISLSOOPS-UHFFFAOYSA-N 1 1 403.954 4.075 50 0 HIAAMO Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCC3)cc(=O)c2cc1C ZINC000028288990 558695842 /nfs/dbraw/zinc/69/58/42/558695842.db2.gz AQEPILDBZIAHTQ-SFHVURJKSA-N 1 1 410.539 4.428 50 0 HIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028291678 558697547 /nfs/dbraw/zinc/69/75/47/558697547.db2.gz APHLGGFQCRWVIC-NRFANRHFSA-N 1 1 420.509 4.067 50 0 HIAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Nc3ccn(-c4ccccc4)n3)cc2)C1 ZINC000072280729 558705641 /nfs/dbraw/zinc/70/56/41/558705641.db2.gz OWWOWGYPHPZKBL-LJQANCHMSA-N 1 1 403.530 4.426 50 0 HIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)C1 ZINC000015068687 558711195 /nfs/dbraw/zinc/71/11/95/558711195.db2.gz ATYUHABYIADXDK-OAQYLSRUSA-N 1 1 420.557 4.319 50 0 HIAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000015076589 558716551 /nfs/dbraw/zinc/71/65/51/558716551.db2.gz KZJHKCPGILMPNN-OAQYLSRUSA-N 1 1 404.558 4.432 50 0 HIAAMO COc1cccc(NC(=O)[C@@H]([NH2+][C@@H](C)c2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000030500884 558731028 /nfs/dbraw/zinc/73/10/28/558731028.db2.gz IVXPLJGXRBRKEO-HJPURHCSSA-N 1 1 404.466 4.455 50 0 HIAAMO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955476 558747324 /nfs/dbraw/zinc/74/73/24/558747324.db2.gz FXLWFLTYIKMECD-LJQANCHMSA-N 1 1 418.541 4.086 50 0 HIAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)ccc3o2)[NH+]2CCCCC2)o1 ZINC000015860424 558758134 /nfs/dbraw/zinc/75/81/34/558758134.db2.gz AOHOXHSCFVAAJK-KRWDZBQOSA-N 1 1 414.889 4.305 50 0 HIAAMO OC[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000016046818 558770546 /nfs/dbraw/zinc/77/05/46/558770546.db2.gz PRJFXTHYZVXXMC-YCRPNKLZSA-N 1 1 418.331 4.261 50 0 HIAAMO OC[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2O[C@H](c2ccccc2)OC3)C1 ZINC000016046818 558770548 /nfs/dbraw/zinc/77/05/48/558770548.db2.gz PRJFXTHYZVXXMC-YCRPNKLZSA-N 1 1 418.331 4.261 50 0 HIAAMO C[NH+]1CCC(N2CCC(Oc3cccc(C(=O)N4CCCCCCC4)c3)CC2)CC1 ZINC000019222569 558852215 /nfs/dbraw/zinc/85/22/15/558852215.db2.gz GEBGQHYMNRCUAK-UHFFFAOYSA-N 1 1 413.606 4.030 50 0 HIAAMO C[C@@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000054969043 558869947 /nfs/dbraw/zinc/86/99/47/558869947.db2.gz FCJQGMMWIQWYIV-FQEVSTJZSA-N 1 1 408.567 4.167 50 0 HIAAMO CCCC[C@@H]1C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000055226052 558876664 /nfs/dbraw/zinc/87/66/64/558876664.db2.gz DHJNDRBXNKSWBP-JOCHJYFZSA-N 1 1 405.542 4.438 50 0 HIAAMO CCCOc1cccc(C(=O)NCCC[N@@H+](C)CCCN(C)Cc2ccccc2)c1 ZINC000004664887 558876719 /nfs/dbraw/zinc/87/67/19/558876719.db2.gz ROGJNAULEKEUGJ-UHFFFAOYSA-N 1 1 411.590 4.049 50 0 HIAAMO Cc1cccc(NC(=S)NCC[NH+]2CCN(c3ccc(F)c(Cl)c3)CC2)c1C ZINC000055545140 558882010 /nfs/dbraw/zinc/88/20/10/558882010.db2.gz QAZJMHSZYATHSG-UHFFFAOYSA-N 1 1 420.985 4.205 50 0 HIAAMO Cc1ccc(Cl)c(NC(=O)NCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000055538324 558882083 /nfs/dbraw/zinc/88/20/83/558882083.db2.gz ONMZBJDMBOMCOE-UHFFFAOYSA-N 1 1 407.345 4.246 50 0 HIAAMO Cc1ccc(NC(=O)N2CC[NH+](CCn3c(C(C)C)nc4cccnc43)CC2)c(C)c1 ZINC000033139854 558891554 /nfs/dbraw/zinc/89/15/54/558891554.db2.gz ZGAKAVWCZBQPEG-UHFFFAOYSA-N 1 1 420.561 4.021 50 0 HIAAMO Cc1cccc(C)c1NC(=O)N1CC[NH+](CCn2c(C(C)C)nc3cccnc32)CC1 ZINC000033139857 558891560 /nfs/dbraw/zinc/89/15/60/558891560.db2.gz GHRSRDJKHKLWLK-UHFFFAOYSA-N 1 1 420.561 4.021 50 0 HIAAMO CCCC[N@@H+](C)CC1CCN(c2nc(C)nc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000058045342 558896589 /nfs/dbraw/zinc/89/65/89/558896589.db2.gz FUQRTZQXLXFFOG-UHFFFAOYSA-N 1 1 418.607 4.433 50 0 HIAAMO O=C1N[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000058109282 558899349 /nfs/dbraw/zinc/89/93/49/558899349.db2.gz WGRIOXQVUSWFPC-NRFANRHFSA-N 1 1 418.324 4.080 50 0 HIAAMO Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000058343574 558920924 /nfs/dbraw/zinc/92/09/24/558920924.db2.gz SVUDNOVACTXHMC-DNQXCXABSA-N 1 1 402.542 4.000 50 0 HIAAMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1OC(C)C ZINC000058368714 558922482 /nfs/dbraw/zinc/92/24/82/558922482.db2.gz JKWCLBCRVFXKPO-GOSISDBHSA-N 1 1 402.922 4.140 50 0 HIAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)cc1F ZINC000058423596 558926018 /nfs/dbraw/zinc/92/60/18/558926018.db2.gz DERDZGVWZAFHAY-HWKANZROSA-N 1 1 413.836 4.032 50 0 HIAAMO C[C@@H](NC(=S)Nc1cccc(Cl)c1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031441 558985332 /nfs/dbraw/zinc/98/53/32/558985332.db2.gz GEGIDCCXASQQMS-UZLBHIALSA-N 1 1 402.995 4.004 50 0 HIAAMO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000022298875 558987443 /nfs/dbraw/zinc/98/74/43/558987443.db2.gz RLECLHIRXUOWDB-QFIPXVFZSA-N 1 1 410.945 4.364 50 0 HIAAMO CN(CCc1ccccn1)C(=O)CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000067674469 558991234 /nfs/dbraw/zinc/99/12/34/558991234.db2.gz OYYIAZHHTXWXMC-LJQANCHMSA-N 1 1 422.598 4.385 50 0 HIAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2C)CC1 ZINC000022457023 558995190 /nfs/dbraw/zinc/99/51/90/558995190.db2.gz OKUVWHFEQQYYAB-YLJYHZDGSA-N 1 1 402.633 4.110 50 0 HIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)C1 ZINC000033278931 559042285 /nfs/dbraw/zinc/04/22/85/559042285.db2.gz OXOGLCFKVYNZCU-GOSISDBHSA-N 1 1 404.514 4.255 50 0 HIAAMO CN(CC1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091643352 559072619 /nfs/dbraw/zinc/07/26/19/559072619.db2.gz PPUFVBYTZIPHNY-DEOSSOPVSA-N 1 1 411.634 4.054 50 0 HIAAMO CN(CC1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000091643351 559072635 /nfs/dbraw/zinc/07/26/35/559072635.db2.gz PPUFVBYTZIPHNY-XMMPIXPASA-N 1 1 411.634 4.054 50 0 HIAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](N3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000095352895 559079650 /nfs/dbraw/zinc/07/96/50/559079650.db2.gz KVOKXDREDVNLAG-LNJOJYBOSA-N 1 1 405.586 4.303 50 0 HIAAMO COc1ccc(/C=C/CN2CCC[C@H]([NH+]3CCN(c4ccccc4C)CC3)C2)cc1 ZINC000095352895 559079652 /nfs/dbraw/zinc/07/96/52/559079652.db2.gz KVOKXDREDVNLAG-LNJOJYBOSA-N 1 1 405.586 4.303 50 0 HIAAMO Cc1ccc(-c2ccccc2C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)o1 ZINC000095355201 559079882 /nfs/dbraw/zinc/07/98/82/559079882.db2.gz ACTGKZYDJNURCC-DENIHFKCSA-N 1 1 401.510 4.387 50 0 HIAAMO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957626 559087422 /nfs/dbraw/zinc/08/74/22/559087422.db2.gz KVBFPHMJXQRWSE-AUUYWEPGSA-N 1 1 417.412 4.294 50 0 HIAAMO O[C@@]1(C(F)(F)F)C2=C([NH2+]N1c1nc(-c3ccccc3)cs1)c1ccccc1OC2 ZINC000016957630 559087500 /nfs/dbraw/zinc/08/75/00/559087500.db2.gz KVBFPHMJXQRWSE-IFXJQAMLSA-N 1 1 417.412 4.294 50 0 HIAAMO CC[C@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@H+]1CCCC[C@H]1CC ZINC000004872920 559194705 /nfs/dbraw/zinc/19/47/05/559194705.db2.gz PQZWZSQBGGMYCO-NPRSCZTNSA-N 1 1 407.643 4.114 50 0 HIAAMO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2)C1 ZINC000061142416 559218668 /nfs/dbraw/zinc/21/86/68/559218668.db2.gz NRUMFMLCAIUGMB-OFNKIYASSA-N 1 1 424.589 4.148 50 0 HIAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H](c3ccco3)N3CCCC3)cc2)C1 ZINC000061142416 559218670 /nfs/dbraw/zinc/21/86/70/559218670.db2.gz NRUMFMLCAIUGMB-OFNKIYASSA-N 1 1 424.589 4.148 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000005142148 559251821 /nfs/dbraw/zinc/25/18/21/559251821.db2.gz UVNDTQOPQVKEEJ-YFNKSVMNSA-N 1 1 412.505 4.141 50 0 HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 ZINC000005142148 559251824 /nfs/dbraw/zinc/25/18/24/559251824.db2.gz UVNDTQOPQVKEEJ-YFNKSVMNSA-N 1 1 412.505 4.141 50 0 HIAAMO Cc1cccc(C[N@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000011816856 559260387 /nfs/dbraw/zinc/26/03/87/559260387.db2.gz ZSBJLVRGUGVYKB-DEOSSOPVSA-N 1 1 411.565 4.422 50 0 HIAAMO Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000011816856 559260389 /nfs/dbraw/zinc/26/03/89/559260389.db2.gz ZSBJLVRGUGVYKB-DEOSSOPVSA-N 1 1 411.565 4.422 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)c1OC ZINC000011816489 559260420 /nfs/dbraw/zinc/26/04/20/559260420.db2.gz CFCFPMZMLMSGBT-DEOSSOPVSA-N 1 1 412.530 4.042 50 0 HIAAMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000248087545 559262041 /nfs/dbraw/zinc/26/20/41/559262041.db2.gz DTTJTIUDHUUWSZ-UTKZUKDTSA-N 1 1 412.505 4.344 50 0 HIAAMO C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000248087545 559262042 /nfs/dbraw/zinc/26/20/42/559262042.db2.gz DTTJTIUDHUUWSZ-UTKZUKDTSA-N 1 1 412.505 4.344 50 0 HIAAMO Cc1ccc2c(c1)C1=C([C@@H](c3cccnc3)N3NC=NC3=[NH+]1)[C@H](c1ccc(F)cc1)O2 ZINC000005516576 560604510 /nfs/dbraw/zinc/60/45/10/560604510.db2.gz BZOKIODKEKYYIG-PKTZIBPZSA-N 1 1 411.440 4.333 50 0 HIAAMO CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000062582000 560632065 /nfs/dbraw/zinc/63/20/65/560632065.db2.gz VCWORKIBBHLLMB-PXNSSMCTSA-N 1 1 417.500 4.384 50 0 HIAAMO C[C@@H](c1nnc(-c2ccc(F)cc2)o1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000008727595 560638020 /nfs/dbraw/zinc/63/80/20/560638020.db2.gz LBBXEPAANPKSCT-INIZCTEOSA-N 1 1 400.498 4.051 50 0 HIAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c32)CC1 ZINC000036618502 560882452 /nfs/dbraw/zinc/88/24/52/560882452.db2.gz FCZLEVKDLABLAP-UHFFFAOYSA-N 1 1 416.456 4.084 50 0 HIAAMO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C(C)C)sc2n1 ZINC000046032473 568424734 /nfs/dbraw/zinc/42/47/34/568424734.db2.gz RJLQXMDHIOFWND-UHFFFAOYSA-N 1 1 400.548 4.085 50 0 HIAAMO C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000048333284 568439429 /nfs/dbraw/zinc/43/94/29/568439429.db2.gz LJMDVRVCKVWAFJ-KRWDZBQOSA-N 1 1 412.921 4.148 50 0 HIAAMO Cc1[nH]c2ccccc2c1C1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000048354184 568441089 /nfs/dbraw/zinc/44/10/89/568441089.db2.gz GXCKDYMWMKFUBC-UHFFFAOYSA-N 1 1 402.498 4.082 50 0 HIAAMO Cc1ccc(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)cc1C ZINC000049403385 568448320 /nfs/dbraw/zinc/44/83/20/568448320.db2.gz XPLFOTPQUKOVBH-UHFFFAOYSA-N 1 1 408.477 4.311 50 0 HIAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095400363 568604988 /nfs/dbraw/zinc/60/49/88/568604988.db2.gz YLPFJKJPGWEKDP-VWLOTQADSA-N 1 1 416.569 4.219 50 0 HIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(s1)-c1ccc(Cl)cc1SC2 ZINC000020436356 568607076 /nfs/dbraw/zinc/60/70/76/568607076.db2.gz QZKQYJJPRUREAR-UHFFFAOYSA-N 1 1 408.976 4.126 50 0 HIAAMO CC[N@@H+](CCC1CCN(C(=O)Nc2ccccc2N2CCCC2=O)CC1)CC(C)C ZINC000095459673 568619713 /nfs/dbraw/zinc/61/97/13/568619713.db2.gz TZLVUPJBRVDPLO-UHFFFAOYSA-N 1 1 414.594 4.425 50 0 HIAAMO CC(C)[N@@H+](Cc1ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc1)C[C@@H]1CCCCO1 ZINC000095460780 568620390 /nfs/dbraw/zinc/62/03/90/568620390.db2.gz SKYWECYRVLCIIV-KNQAVFIVSA-N 1 1 419.610 4.385 50 0 HIAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1 ZINC000020510068 568621049 /nfs/dbraw/zinc/62/10/49/568621049.db2.gz HVRRPFJRTGIMME-MRXNPFEDSA-N 1 1 409.486 4.166 50 0 HIAAMO CC1=C2C[C@@H]3[C@H](CN4CC[NH+](Cc5ccccc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000020612435 568637655 /nfs/dbraw/zinc/63/76/55/568637655.db2.gz AZCJOSWXMWVFEY-MWXBQQNOSA-N 1 1 408.586 4.263 50 0 HIAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000227693423 568710422 /nfs/dbraw/zinc/71/04/22/568710422.db2.gz RHRDPIKOUPDNIA-CRAIPNDOSA-N 1 1 412.839 4.495 50 0 HIAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](O)C1 ZINC000227693423 568710423 /nfs/dbraw/zinc/71/04/23/568710423.db2.gz RHRDPIKOUPDNIA-CRAIPNDOSA-N 1 1 412.839 4.495 50 0 HIAAMO 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Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H]([NH+]5CCCCC5)C4=O)cc3)sc2c1 ZINC000019890048 558302814 /nfs/dbraw/zinc/30/28/14/558302814.db2.gz UDLUZJHQJAQBCU-LJQANCHMSA-N 1 1 405.523 4.390 50 0 HIAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000012024725 558309933 /nfs/dbraw/zinc/30/99/33/558309933.db2.gz YRFZEPMOJVTLIU-UHFFFAOYSA-N 1 1 401.503 4.040 50 0 HIAAMO C[N@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C[C@H]1COCCO1 ZINC000012075431 558319672 /nfs/dbraw/zinc/31/96/72/558319672.db2.gz IEEPGKYRSWFKMV-IBGZPJMESA-N 1 1 415.896 4.179 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000012093381 558324813 /nfs/dbraw/zinc/32/48/13/558324813.db2.gz NHZWHJJWQIXQKW-LJQANCHMSA-N 1 1 409.505 4.424 50 0 HIAAMO c1ccc(CC[N@H+]2CCC[C@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000020211746 558347758 /nfs/dbraw/zinc/34/77/58/558347758.db2.gz BHVJAZKNZTXMOM-VWLOTQADSA-N 1 1 402.542 4.267 50 0 HIAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000020255554 558351906 /nfs/dbraw/zinc/35/19/06/558351906.db2.gz AWQOHRRFIPTZIQ-UHFFFAOYSA-N 1 1 417.435 4.171 50 0 HIAAMO Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000020255554 558351908 /nfs/dbraw/zinc/35/19/08/558351908.db2.gz AWQOHRRFIPTZIQ-UHFFFAOYSA-N 1 1 417.435 4.171 50 0 HIAAMO CN(C(=O)CCc1c[nH]c2ccccc12)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012297323 558367345 /nfs/dbraw/zinc/36/73/45/558367345.db2.gz QXGQIIHHFLDWPF-JOCHJYFZSA-N 1 1 401.554 4.191 50 0 HIAAMO CN(C(=O)CCc1c[nH]c2ccccc12)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012297324 558367397 /nfs/dbraw/zinc/36/73/97/558367397.db2.gz QXGQIIHHFLDWPF-QFIPXVFZSA-N 1 1 401.554 4.191 50 0 HIAAMO Cc1noc(C)c1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000012297677 558367607 /nfs/dbraw/zinc/36/76/07/558367607.db2.gz GMTPFRFMGIVVFJ-VWLOTQADSA-N 1 1 409.574 4.171 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000020454132 558368083 /nfs/dbraw/zinc/36/80/83/558368083.db2.gz BCGRJZJAJGFDOF-FQEVSTJZSA-N 1 1 404.558 4.322 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000020454132 558368088 /nfs/dbraw/zinc/36/80/88/558368088.db2.gz BCGRJZJAJGFDOF-FQEVSTJZSA-N 1 1 404.558 4.322 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000020454132 558368089 /nfs/dbraw/zinc/36/80/89/558368089.db2.gz BCGRJZJAJGFDOF-FQEVSTJZSA-N 1 1 404.558 4.322 50 0 HIAAMO CC(C)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000012301246 558370921 /nfs/dbraw/zinc/37/09/21/558370921.db2.gz UOBADSZNXHGFOA-QGZVFWFLSA-N 1 1 414.981 4.247 50 0 HIAAMO CC(C)c1cc(C[N@H+]2CCC[C@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000012301246 558370924 /nfs/dbraw/zinc/37/09/24/558370924.db2.gz UOBADSZNXHGFOA-QGZVFWFLSA-N 1 1 414.981 4.247 50 0 HIAAMO CC(C)Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)c3cccc(F)c3)CC2)[nH]n1 ZINC000012316490 558379977 /nfs/dbraw/zinc/37/99/77/558379977.db2.gz YOGGARLOHVALFL-UHFFFAOYSA-N 1 1 424.524 4.033 50 0 HIAAMO COc1ccc(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000012363300 558387402 /nfs/dbraw/zinc/38/74/02/558387402.db2.gz WIDPDFCJYLWUFS-OYRHEFFESA-N 1 1 424.585 4.348 50 0 HIAAMO COc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OCc1ccccc1 ZINC000012363300 558387405 /nfs/dbraw/zinc/38/74/05/558387405.db2.gz WIDPDFCJYLWUFS-OYRHEFFESA-N 1 1 424.585 4.348 50 0 HIAAMO C[NH+](C)[C@@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1ccccc1Cl ZINC000020727108 558405099 /nfs/dbraw/zinc/40/50/99/558405099.db2.gz AJMGWBFZZYQXMN-SFHVURJKSA-N 1 1 402.947 4.191 50 0 HIAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012430531 558405314 /nfs/dbraw/zinc/40/53/14/558405314.db2.gz VRWKWXDVBKRFDQ-MRXNPFEDSA-N 1 1 403.906 4.461 50 0 HIAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012430531 558405317 /nfs/dbraw/zinc/40/53/17/558405317.db2.gz VRWKWXDVBKRFDQ-MRXNPFEDSA-N 1 1 403.906 4.461 50 0 HIAAMO Cc1cccc(-c2ncc(C[N@H+]3CCC[C@@](CO)(Cc4ccc(F)cc4)C3)cn2)c1 ZINC000012438731 558410074 /nfs/dbraw/zinc/41/00/74/558410074.db2.gz JTBJYRAIHZBAAS-RUZDIDTESA-N 1 1 405.517 4.408 50 0 HIAAMO OCC[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccccc1F ZINC000020773974 558411712 /nfs/dbraw/zinc/41/17/12/558411712.db2.gz VPOAUROSANFTSA-HXUWFJFHSA-N 1 1 411.546 4.018 50 0 HIAAMO OCC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccccc1F ZINC000020773974 558411715 /nfs/dbraw/zinc/41/17/15/558411715.db2.gz VPOAUROSANFTSA-HXUWFJFHSA-N 1 1 411.546 4.018 50 0 HIAAMO COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc1OC ZINC000012441083 558412041 /nfs/dbraw/zinc/41/20/41/558412041.db2.gz WCRABKVSJIARSP-NRFANRHFSA-N 1 1 400.538 4.229 50 0 HIAAMO CN(C(=O)/C=C/c1nc2ccccc2s1)[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012465800 558420405 /nfs/dbraw/zinc/42/04/05/558420405.db2.gz PASRBAWEDYJUOL-SJFMBGHLSA-N 1 1 417.578 4.400 50 0 HIAAMO Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000021674517 558445701 /nfs/dbraw/zinc/44/57/01/558445701.db2.gz VZJQKCTVZYMXTK-IBGZPJMESA-N 1 1 416.447 4.442 50 0 HIAAMO COc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1C ZINC000012746328 558458004 /nfs/dbraw/zinc/45/80/04/558458004.db2.gz LBZZCVRIHQEBFL-HXUWFJFHSA-N 1 1 410.558 4.039 50 0 HIAAMO O=C(CN1CC[NH+](Cc2csc3ccccc23)CC1)Nc1ccc(F)cc1Cl ZINC000022932749 558524955 /nfs/dbraw/zinc/52/49/55/558524955.db2.gz HMURDXJGKHWTAJ-UHFFFAOYSA-N 1 1 417.937 4.450 50 0 HIAAMO COc1ccc(C[NH+]2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1 ZINC000023303676 558548621 /nfs/dbraw/zinc/54/86/21/558548621.db2.gz UKJJAOHGAFFBDS-UHFFFAOYSA-N 1 1 412.917 4.081 50 0 HIAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)C1 ZINC000023673286 558566769 /nfs/dbraw/zinc/56/67/69/558566769.db2.gz HAWAYNLAKCFLMC-MRXNPFEDSA-N 1 1 409.983 4.080 50 0 HIAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000023763810 558575370 /nfs/dbraw/zinc/57/53/70/558575370.db2.gz RJXORNLKYVTBSM-LJQANCHMSA-N 1 1 421.969 4.022 50 0 HIAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C4CC4)nn3-c3ccccc3)CC2)c1 ZINC000023873170 558579114 /nfs/dbraw/zinc/57/91/14/558579114.db2.gz UNDOJAZQPVRABY-UHFFFAOYSA-N 1 1 400.526 4.016 50 0 HIAAMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)sc2nc(-c3ccco3)nc(C)c12 ZINC000024969532 558622941 /nfs/dbraw/zinc/62/29/41/558622941.db2.gz FFQDAPWCNOMETM-AWEZNQCLSA-N 1 1 410.499 4.194 50 0 HIAAMO COc1cc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)cc1Cl ZINC000014194758 558632790 /nfs/dbraw/zinc/63/27/90/558632790.db2.gz WKEUVRWKHSFZGI-UHFFFAOYSA-N 1 1 402.922 4.250 50 0 HIAAMO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1OC ZINC000014971640 558687643 /nfs/dbraw/zinc/68/76/43/558687643.db2.gz RBXRLRMDXYQTCR-INIZCTEOSA-N 1 1 403.906 4.461 50 0 HIAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1OC ZINC000014971640 558687646 /nfs/dbraw/zinc/68/76/46/558687646.db2.gz RBXRLRMDXYQTCR-INIZCTEOSA-N 1 1 403.906 4.461 50 0 HIAAMO Cc1cccc(-n2cc(C[N@H+](C[C@H]3CCC(=O)N3)C(C)C)c(-c3cccc(F)c3)n2)c1 ZINC000014974721 558688831 /nfs/dbraw/zinc/68/88/31/558688831.db2.gz HNGLTBBVRDPYAL-JOCHJYFZSA-N 1 1 420.532 4.476 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C)C2)ccc1OCCCNC(=O)c1cccs1 ZINC000014990356 558694150 /nfs/dbraw/zinc/69/41/50/558694150.db2.gz WCOKROSCDJIRSM-QGZVFWFLSA-N 1 1 402.560 4.188 50 0 HIAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028580664 558702081 /nfs/dbraw/zinc/70/20/81/558702081.db2.gz FGXODRBJOCRICH-IBGZPJMESA-N 1 1 401.890 4.384 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000028580664 558702085 /nfs/dbraw/zinc/70/20/85/558702085.db2.gz FGXODRBJOCRICH-IBGZPJMESA-N 1 1 401.890 4.384 50 0 HIAAMO COc1ccc(Cc2noc(C[N@H+](C)C[C@]3(c4ccccc4)CC3(C)C)n2)cc1OC ZINC000015065852 558708560 /nfs/dbraw/zinc/70/85/60/558708560.db2.gz DDALJVOSAXHUSG-VWLOTQADSA-N 1 1 421.541 4.477 50 0 HIAAMO COc1ccc(Cc2noc(C[N@@H+](C)C[C@]3(c4ccccc4)CC3(C)C)n2)cc1OC ZINC000015065852 558708563 /nfs/dbraw/zinc/70/85/63/558708563.db2.gz DDALJVOSAXHUSG-VWLOTQADSA-N 1 1 421.541 4.477 50 0 HIAAMO COC(=O)c1ccc(CN2CC[C@H]([N@H+]3CCC[C@@H](c4ccccc4)C3)CCC2=O)cc1 ZINC000015071798 558713150 /nfs/dbraw/zinc/71/31/50/558713150.db2.gz ZZLZHMWVQJFKAB-DNQXCXABSA-N 1 1 420.553 4.234 50 0 HIAAMO C[N@H+](CCCn1cccn1)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074197 558715164 /nfs/dbraw/zinc/71/51/64/558715164.db2.gz ZODQHVYLUBVBCI-HXUWFJFHSA-N 1 1 408.512 4.179 50 0 HIAAMO C[N@@H+](CCCn1cccn1)C[C@H]1CCCN(CCc2cccc(C(F)(F)F)c2)C1 ZINC000015074197 558715168 /nfs/dbraw/zinc/71/51/68/558715168.db2.gz ZODQHVYLUBVBCI-HXUWFJFHSA-N 1 1 408.512 4.179 50 0 HIAAMO COc1cccc(CN2C[C@@H]3C[C@@H](c4cccc5cccnc54)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000015076958 558716905 /nfs/dbraw/zinc/71/69/05/558716905.db2.gz BPVSAWGOFLSTQX-CHZKFRDHSA-N 1 1 413.521 4.181 50 0 HIAAMO CCOc1ccc(CCNC(=O)C[N@@H+](C)[C@H]2CCCc3ccccc32)cc1OCC ZINC000015261683 558729942 /nfs/dbraw/zinc/72/99/42/558729942.db2.gz HSWSKPZINSWVSP-QFIPXVFZSA-N 1 1 410.558 4.152 50 0 HIAAMO Brc1cc(C[NH2+]Cc2cccnc2OC2CCCC2)cc2c1OCO2 ZINC000030914894 558744651 /nfs/dbraw/zinc/74/46/51/558744651.db2.gz XTOUTTSZSVKSTJ-UHFFFAOYSA-N 1 1 405.292 4.184 50 0 HIAAMO COc1cc(Nc2ncc3c(n2)CC[N@@H+](Cc2ccc(C)c(C)c2)C3)cc(OC)c1 ZINC000015779015 558753138 /nfs/dbraw/zinc/75/31/38/558753138.db2.gz WOTGWSXZMVNWFS-UHFFFAOYSA-N 1 1 404.514 4.413 50 0 HIAAMO COc1cc(Nc2ncc3c(n2)CC[N@H+](Cc2ccc(C)c(C)c2)C3)cc(OC)c1 ZINC000015779015 558753140 /nfs/dbraw/zinc/75/31/40/558753140.db2.gz WOTGWSXZMVNWFS-UHFFFAOYSA-N 1 1 404.514 4.413 50 0 HIAAMO CC[N@@H+](Cc1ccc(S(C)(=O)=O)c(OC)c1)[C@H](Cc1ccc(C)cc1)C1CC1 ZINC000072304909 558756703 /nfs/dbraw/zinc/75/67/03/558756703.db2.gz UMDFJSYHTNSUKY-OAQYLSRUSA-N 1 1 401.572 4.250 50 0 HIAAMO CCOc1cc(C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)ccc1OCC(N)=O ZINC000033087237 558760720 /nfs/dbraw/zinc/76/07/20/558760720.db2.gz SWBPSFDZVGMFOA-FQEVSTJZSA-N 1 1 400.494 4.206 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000016047211 558770515 /nfs/dbraw/zinc/77/05/15/558770515.db2.gz OMBVAYKTPDFKIQ-LHSJRXKWSA-N 1 1 405.491 4.270 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000016047211 558770517 /nfs/dbraw/zinc/77/05/17/558770517.db2.gz OMBVAYKTPDFKIQ-LHSJRXKWSA-N 1 1 405.491 4.270 50 0 HIAAMO Cc1cccc(-c2noc(C[NH+]3CCC4(C[C@H]4c4nnc5n4CCCCC5)CC3)n2)c1 ZINC000071890627 558807976 /nfs/dbraw/zinc/80/79/76/558807976.db2.gz RNWZOXOLQZOQCB-IBGZPJMESA-N 1 1 418.545 4.133 50 0 HIAAMO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)o2)cc1 ZINC000060339739 558852407 /nfs/dbraw/zinc/85/24/07/558852407.db2.gz CCYRXTMOBOBNRG-QGZVFWFLSA-N 1 1 415.534 4.429 50 0 HIAAMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@H](CN(C)C(=O)OC(C)(C)C)C3)o2)cc1 ZINC000060339739 558852410 /nfs/dbraw/zinc/85/24/10/558852410.db2.gz CCYRXTMOBOBNRG-QGZVFWFLSA-N 1 1 415.534 4.429 50 0 HIAAMO OCC[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@H+]1CCCc1ccccc1 ZINC000019301075 558866483 /nfs/dbraw/zinc/86/64/83/558866483.db2.gz KAGRLDWQDPNAME-HSZRJFAPSA-N 1 1 421.610 4.312 50 0 HIAAMO COc1ccc(Br)cc1CN1CC[NH+](Cc2ccc(SC)cc2)CC1 ZINC000019361707 558876385 /nfs/dbraw/zinc/87/63/85/558876385.db2.gz GCXQDRXJYFCVHG-UHFFFAOYSA-N 1 1 421.404 4.497 50 0 HIAAMO Cc1cccc(NC(=O)NCC[NH+]2CCN(c3cccc4ccccc43)CC2)c1C ZINC000055549697 558882197 /nfs/dbraw/zinc/88/21/97/558882197.db2.gz UVOWOKQCUBWGTH-UHFFFAOYSA-N 1 1 402.542 4.400 50 0 HIAAMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 ZINC000060470596 558886177 /nfs/dbraw/zinc/88/61/77/558886177.db2.gz JUHHRNPTLBWVSN-OAHLLOKOSA-N 1 1 419.294 4.347 50 0 HIAAMO COc1ccc([C@@H](C)NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000058434989 558927148 /nfs/dbraw/zinc/92/71/48/558927148.db2.gz PLDMDBHJGXCTHW-VFNWGFHPSA-N 1 1 424.438 4.466 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC(=O)N2CCCCc3ccccc32)cc1 ZINC000021916006 558972126 /nfs/dbraw/zinc/97/21/26/558972126.db2.gz VRGVPCPFKVXJCS-JOCHJYFZSA-N 1 1 420.557 4.276 50 0 HIAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(O)cc3)cc2)n1 ZINC000067604648 558988653 /nfs/dbraw/zinc/98/86/53/558988653.db2.gz XULJDFZRIXDKGF-HSZRJFAPSA-N 1 1 404.514 4.188 50 0 HIAAMO Cc1cc(C)n(-c2ccc(NC(=O)[C@H]3CCCC[N@H+]3Cc3ccc(O)cc3)cc2)n1 ZINC000067604648 558988655 /nfs/dbraw/zinc/98/86/55/558988655.db2.gz XULJDFZRIXDKGF-HSZRJFAPSA-N 1 1 404.514 4.188 50 0 HIAAMO Cc1ccc2[nH]nc(C(=O)N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3F)C4)c2c1 ZINC000077387104 559003383 /nfs/dbraw/zinc/00/33/83/559003383.db2.gz LTFCWMZERYFMCR-DEOSSOPVSA-N 1 1 406.505 4.139 50 0 HIAAMO Cc1ccc2n[nH]c(C(=O)N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3F)C4)c2c1 ZINC000077387104 559003384 /nfs/dbraw/zinc/00/33/84/559003384.db2.gz LTFCWMZERYFMCR-DEOSSOPVSA-N 1 1 406.505 4.139 50 0 HIAAMO Cc1ccc2n[nH]c(C(=O)N3CC[C@@]4(C3)CCC[N@@H+](Cc3ccccc3F)C4)c2c1 ZINC000077387104 559003385 /nfs/dbraw/zinc/00/33/85/559003385.db2.gz LTFCWMZERYFMCR-DEOSSOPVSA-N 1 1 406.505 4.139 50 0 HIAAMO Cc1cccc(CC[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095498286 559081811 /nfs/dbraw/zinc/08/18/11/559081811.db2.gz VGCOVEAYFMKBLU-SFHVURJKSA-N 1 1 401.501 4.019 50 0 HIAAMO COc1ccc2nc3sc(C(=O)NCC[N@@H+](C)Cc4ccccc4)cc3cc2c1 ZINC000004901186 559199636 /nfs/dbraw/zinc/19/96/36/559199636.db2.gz BJGOETFTEQYSRR-UHFFFAOYSA-N 1 1 405.523 4.320 50 0 HIAAMO COCCN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000248154669 559265717 /nfs/dbraw/zinc/26/57/17/559265717.db2.gz HTQWRLSEVGPVIZ-KNQAVFIVSA-N 1 1 418.578 4.234 50 0 HIAAMO O=C(Nc1ccc(Cl)cc1F)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000051317152 560857194 /nfs/dbraw/zinc/85/71/94/560857194.db2.gz IVUIGGSZQRVWPI-UHFFFAOYSA-N 1 1 414.868 4.380 50 0 HIAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2CN(CC(C)C)C(C)=O)c1 ZINC000105050449 560860789 /nfs/dbraw/zinc/86/07/89/560860789.db2.gz WPIGZZKBOSUYGD-OFNKIYASSA-N 1 1 400.588 4.477 50 0 HIAAMO C[C@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000106088141 560884615 /nfs/dbraw/zinc/88/46/15/560884615.db2.gz PCMKHSHIQMIDNP-GJZGRUSLSA-N 1 1 415.347 4.126 50 0 HIAAMO COc1cc(CNCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000047778200 568431307 /nfs/dbraw/zinc/43/13/07/568431307.db2.gz XLBCONRHQVJWON-RTBURBONSA-N 1 1 412.574 4.480 50 0 HIAAMO CCCC[N@@H+](C)CC1CCN(c2ncnc3sc(C(=O)OCC)c(C)c32)CC1 ZINC000048263190 568433711 /nfs/dbraw/zinc/43/37/11/568433711.db2.gz UIUWURBJVJMUIO-UHFFFAOYSA-N 1 1 404.580 4.125 50 0 HIAAMO COc1cc(-c2n[nH]cc2C[N@@H+](C)Cc2cc3cc(F)ccc3[nH]2)cc(OC)c1OC ZINC000012305937 568464480 /nfs/dbraw/zinc/46/44/80/568464480.db2.gz FGDZEMZVOBGQGU-UHFFFAOYSA-N 1 1 424.476 4.355 50 0 HIAAMO CC[NH+]1CCN(C(=O)CCCc2cn(Cc3ccc(C)cc3)c3ccccc23)CC1 ZINC000020490001 568614253 /nfs/dbraw/zinc/61/42/53/568614253.db2.gz JWRBXNBFDAVFSV-UHFFFAOYSA-N 1 1 403.570 4.485 50 0 HIAAMO C[C@@H](c1cccc(-c2ccncc2)c1)[N@@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000095459800 568620059 /nfs/dbraw/zinc/62/00/59/568620059.db2.gz LSQIUJRYJRIVFC-SFHVURJKSA-N 1 1 407.489 4.076 50 0 HIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12 ZINC000020941425 568652615 /nfs/dbraw/zinc/65/26/15/568652615.db2.gz HRJGRMSMBWNZNH-IBGZPJMESA-N 1 1 412.578 4.434 50 0 HIAAMO C[NH+]1CCN([C@@H](c2nc(-c3ccc(N4CCCCC4)cc3)no2)c2ccccc2)CC1 ZINC000225631560 568658667 /nfs/dbraw/zinc/65/86/67/568658667.db2.gz JLJYLEDIGDTVKU-HSZRJFAPSA-N 1 1 417.557 4.064 50 0 HIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021148201 568671967 /nfs/dbraw/zinc/67/19/67/568671967.db2.gz KDFAJTJSIKTAOD-UPVQGACJSA-N 1 1 419.569 4.029 50 0 HIAAMO COc1ccc(C[NH2+]Cc2nn(Cc3ccccc3F)nc2-c2ccccc2)cc1 ZINC000247866229 568745790 /nfs/dbraw/zinc/74/57/90/568745790.db2.gz AVVUIYLCDCIGAQ-UHFFFAOYSA-N 1 1 402.473 4.431 50 0 HIAAMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)c1 ZINC000247883201 568745925 /nfs/dbraw/zinc/74/59/25/568745925.db2.gz CONXVRDRFBNNFW-OAQYLSRUSA-N 1 1 404.558 4.454 50 0 HIAAMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248167649 568747856 /nfs/dbraw/zinc/74/78/56/568747856.db2.gz PHBICHXNVNTSQH-HXUWFJFHSA-N 1 1 420.557 4.154 50 0 HIAAMO Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248177247 568747862 /nfs/dbraw/zinc/74/78/62/568747862.db2.gz ZNXSJUXGYXTUPM-NRFANRHFSA-N 1 1 404.558 4.454 50 0 HIAAMO COc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC[C@H]2CCCO2)cc1 ZINC000000904246 568749541 /nfs/dbraw/zinc/74/95/41/568749541.db2.gz YMWNETDCHOFLAE-MRXNPFEDSA-N 1 1 402.292 4.363 50 0 HIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)[nH+]1 ZINC000021794491 568753443 /nfs/dbraw/zinc/75/34/43/568753443.db2.gz KNSBPGGDFZNVFG-UHFFFAOYSA-N 1 1 423.904 4.271 50 0 HIAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)c1 ZINC000021794164 568753461 /nfs/dbraw/zinc/75/34/61/568753461.db2.gz UXXIGUBRPXQSLX-UHFFFAOYSA-N 1 1 403.486 4.390 50 0 HIAAMO COc1cccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)c1 ZINC000021794164 568753462 /nfs/dbraw/zinc/75/34/62/568753462.db2.gz UXXIGUBRPXQSLX-UHFFFAOYSA-N 1 1 403.486 4.390 50 0 HIAAMO Fc1cccc(Cl)c1Cn1nc(C[NH2+]Cc2cccnc2)c(-c2ccccc2)n1 ZINC000261492526 568820411 /nfs/dbraw/zinc/82/04/11/568820411.db2.gz GCFBXVDEOSSUTH-UHFFFAOYSA-N 1 1 407.880 4.471 50 0 HIAAMO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000057024592 568823521 /nfs/dbraw/zinc/82/35/21/568823521.db2.gz LNHWLFCWOBMPGR-YADARESESA-N 1 1 418.493 4.113 50 0 HIAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000230205939 568854992 /nfs/dbraw/zinc/85/49/92/568854992.db2.gz VBBZYELUODTLKI-ACJLOTCBSA-N 1 1 407.345 4.378 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000230205935 568855002 /nfs/dbraw/zinc/85/50/02/568855002.db2.gz VBBZYELUODTLKI-UGSOOPFHSA-N 1 1 407.345 4.378 50 0 HIAAMO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000058085755 568883843 /nfs/dbraw/zinc/88/38/43/568883843.db2.gz SJJCHTJWKIMORO-JOCHJYFZSA-N 1 1 414.958 4.492 50 0 HIAAMO C[N@@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000058085755 568883844 /nfs/dbraw/zinc/88/38/44/568883844.db2.gz SJJCHTJWKIMORO-JOCHJYFZSA-N 1 1 414.958 4.492 50 0 HIAAMO CCOc1cc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(OCC)c1OCC ZINC000004029361 568934312 /nfs/dbraw/zinc/93/43/12/568934312.db2.gz XHARXYQBNGIUEY-PKOBYXMFSA-N 1 1 405.535 4.304 50 0 biogenic HIAAMO COc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1OC(F)F ZINC000084686429 568955657 /nfs/dbraw/zinc/95/56/57/568955657.db2.gz CBVIZNFBKFTCPR-WMZOPIPTSA-N 1 1 418.484 4.327 50 0 HIAAMO CCOCc1cc(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000084802754 568960432 /nfs/dbraw/zinc/96/04/32/568960432.db2.gz GDMLVVKVVASSBM-FPOVZHCZSA-N 1 1 410.558 4.262 50 0 HIAAMO COc1ccccc1[C@H](CNC(=O)COc1ccc(-c2ccccc2)cc1)[NH+](C)C ZINC000007990081 568966641 /nfs/dbraw/zinc/96/66/41/568966641.db2.gz ZPXQMFCSMXZDJZ-QHCPKHFHSA-N 1 1 404.510 4.160 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(N2CCCC2)cc1 ZINC000008161581 568979186 /nfs/dbraw/zinc/97/91/86/568979186.db2.gz KATNFACEFKZYLC-QFIPXVFZSA-N 1 1 421.541 4.224 50 0 HIAAMO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccc(N2CCCC2)cc1 ZINC000008161581 568979188 /nfs/dbraw/zinc/97/91/88/568979188.db2.gz KATNFACEFKZYLC-QFIPXVFZSA-N 1 1 421.541 4.224 50 0 HIAAMO COc1ccc([C@@H](CNC(=O)c2sc(-c3ccccn3)nc2C)[NH+]2CCCC2)cc1 ZINC000008280230 568987485 /nfs/dbraw/zinc/98/74/85/568987485.db2.gz LTDNIDHNYKJZQJ-HXUWFJFHSA-N 1 1 422.554 4.089 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)c1 ZINC000006170289 569016257 /nfs/dbraw/zinc/01/62/57/569016257.db2.gz PVMCCDFMXMPZMI-GPUOULLFSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)c1 ZINC000006170289 569016258 /nfs/dbraw/zinc/01/62/58/569016258.db2.gz PVMCCDFMXMPZMI-GPUOULLFSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000035271124 569016582 /nfs/dbraw/zinc/01/65/82/569016582.db2.gz YIFOSLOUQRWQFP-CVEARBPZSA-N 1 1 415.921 4.026 50 0 HIAAMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1Cl ZINC000035271124 569016583 /nfs/dbraw/zinc/01/65/83/569016583.db2.gz YIFOSLOUQRWQFP-CVEARBPZSA-N 1 1 415.921 4.026 50 0 HIAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccc(OC)c(OC)c3)ccc21 ZINC000026121131 569017489 /nfs/dbraw/zinc/01/74/89/569017489.db2.gz UUZRYMOOIIKUMV-UHFFFAOYSA-N 1 1 422.529 4.312 50 0 HIAAMO C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000012900290 569020634 /nfs/dbraw/zinc/02/06/34/569020634.db2.gz IAFJYVBNPUDGGB-CYBMUJFWSA-N 1 1 406.313 4.410 50 0 HIAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000012903638 569021009 /nfs/dbraw/zinc/02/10/09/569021009.db2.gz JOWNEGHEEXCMOV-DNVCBOLYSA-N 1 1 400.906 4.126 50 0 HIAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000012903638 569021010 /nfs/dbraw/zinc/02/10/10/569021010.db2.gz JOWNEGHEEXCMOV-DNVCBOLYSA-N 1 1 400.906 4.126 50 0 HIAAMO O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000012929171 569024389 /nfs/dbraw/zinc/02/43/89/569024389.db2.gz SAJGMVBVUQHURV-UHFFFAOYSA-N 1 1 416.315 4.315 50 0 HIAAMO O=C(N[C@H](OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000016041400 569028205 /nfs/dbraw/zinc/02/82/05/569028205.db2.gz IZIOHWSZNUHKRR-SOLBZPMBSA-N 1 1 419.780 4.394 50 0 HIAAMO COc1cccc(Cn2ncc3ccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cc32)c1 ZINC000035559979 569044876 /nfs/dbraw/zinc/04/48/76/569044876.db2.gz BOSRAWQXMZORNM-LJQANCHMSA-N 1 1 420.557 4.088 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2cnn(Cc3cccc(Cl)c3)c2c1 ZINC000035560162 569044909 /nfs/dbraw/zinc/04/49/09/569044909.db2.gz PXCPWPGZKSHZBQ-QGZVFWFLSA-N 1 1 410.949 4.342 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1 ZINC000035559914 569044939 /nfs/dbraw/zinc/04/49/39/569044939.db2.gz JTQIMXIRPCYUGB-KRWDZBQOSA-N 1 1 410.949 4.342 50 0 HIAAMO O=C(NCCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000035592998 569045432 /nfs/dbraw/zinc/04/54/32/569045432.db2.gz ORDJVGDPEFTRAQ-HXUWFJFHSA-N 1 1 406.448 4.289 50 0 HIAAMO O=C(NCCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000035592998 569045433 /nfs/dbraw/zinc/04/54/33/569045433.db2.gz ORDJVGDPEFTRAQ-HXUWFJFHSA-N 1 1 406.448 4.289 50 0 HIAAMO CC(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000012996396 569048323 /nfs/dbraw/zinc/04/83/23/569048323.db2.gz KFNCUHBHWMUOIE-UHFFFAOYSA-N 1 1 419.525 4.404 50 0 HIAAMO CC(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 ZINC000012996396 569048324 /nfs/dbraw/zinc/04/83/24/569048324.db2.gz KFNCUHBHWMUOIE-UHFFFAOYSA-N 1 1 419.525 4.404 50 0 HIAAMO O=C(Nc1ccccc1O)C1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000013008828 569049894 /nfs/dbraw/zinc/04/98/94/569049894.db2.gz KFFMNYMKUJTGKM-UHFFFAOYSA-N 1 1 416.905 4.058 50 0 HIAAMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N(C)C(=O)c1ccc(-n2cccn2)cc1 ZINC000241160524 569054685 /nfs/dbraw/zinc/05/46/85/569054685.db2.gz JXXUXUFCVNBPGJ-GZOXUSKESA-N 1 1 402.542 4.101 50 0 HIAAMO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000242047920 569054939 /nfs/dbraw/zinc/05/49/39/569054939.db2.gz VREFHKJCCHAXIQ-CVDCTZTESA-N 1 1 405.523 4.463 50 0 HIAAMO C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(C[N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000242047920 569054940 /nfs/dbraw/zinc/05/49/40/569054940.db2.gz VREFHKJCCHAXIQ-CVDCTZTESA-N 1 1 405.523 4.463 50 0 HIAAMO COc1ccc(C2N([C@H]3CCOC(C)(C)C3)CC[N@@H+]2[C@H]2CCOC(C)(C)C2)cc1 ZINC000245255198 569055437 /nfs/dbraw/zinc/05/54/37/569055437.db2.gz GBNXAEASSPMFBH-PMACEKPBSA-N 1 1 402.579 4.227 50 0 HIAAMO COc1ccc(C2N([C@H]3CCOC(C)(C)C3)CC[N@H+]2[C@H]2CCOC(C)(C)C2)cc1 ZINC000245255198 569055438 /nfs/dbraw/zinc/05/54/38/569055438.db2.gz GBNXAEASSPMFBH-PMACEKPBSA-N 1 1 402.579 4.227 50 0 HIAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)N(C)C(=O)N[C@H]1c1ccc(C(C)C)cc1 ZINC000035991265 569074605 /nfs/dbraw/zinc/07/46/05/569074605.db2.gz KBVHYBNEXMSFOC-JTSKRJEESA-N 1 1 413.562 4.198 50 0 HIAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 ZINC000006616570 569074718 /nfs/dbraw/zinc/07/47/18/569074718.db2.gz ICFSBXVJHBOWSJ-QGZVFWFLSA-N 1 1 405.907 4.326 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COC(C)(C)C)cc1OC ZINC000036096025 569090103 /nfs/dbraw/zinc/09/01/03/569090103.db2.gz FAOHQSYCIKGAQN-HXUWFJFHSA-N 1 1 405.510 4.021 50 0 HIAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)s1 ZINC000036101329 569091495 /nfs/dbraw/zinc/09/14/95/569091495.db2.gz XAYCDHSYMPVSDI-LJQANCHMSA-N 1 1 411.523 4.227 50 0 HIAAMO COc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102737 569092046 /nfs/dbraw/zinc/09/20/46/569092046.db2.gz XHJPRCXKFXPUIH-IBGZPJMESA-N 1 1 401.890 4.384 50 0 HIAAMO COc1ccccc1C[N@H+](Cc1ccco1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036102737 569092047 /nfs/dbraw/zinc/09/20/47/569092047.db2.gz XHJPRCXKFXPUIH-IBGZPJMESA-N 1 1 401.890 4.384 50 0 HIAAMO COc1ccccc1C[N@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036102923 569092128 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KOUAIDBBZCSZFF-CRAIPNDOSA-N 1 1 411.571 4.055 50 0 HIAAMO COC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301596 569128024 /nfs/dbraw/zinc/12/80/24/569128024.db2.gz XAUYJQZGQUGYLQ-FQEVSTJZSA-N 1 1 409.530 4.097 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1 ZINC000006806252 569131012 /nfs/dbraw/zinc/13/10/12/569131012.db2.gz AUNXTAQLWGQECH-QGZVFWFLSA-N 1 1 400.592 4.281 50 0 HIAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCC[N@@H+]4CCCC[C@@H]4C)C3)nc2c(C)c1 ZINC000006821477 569140536 /nfs/dbraw/zinc/14/05/36/569140536.db2.gz WSCQJELSEOAECD-OALUTQOASA-N 1 1 414.619 4.120 50 0 HIAAMO COc1cccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)C[NH+]2CCCCC2)c1 ZINC000036345655 569143381 /nfs/dbraw/zinc/14/33/81/569143381.db2.gz YLNLZUVVGIUIBY-DEOSSOPVSA-N 1 1 405.542 4.476 50 0 HIAAMO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4c(C)cccc4C)CC3)n2)cc1 ZINC000065184138 569191287 /nfs/dbraw/zinc/19/12/87/569191287.db2.gz NIQKFWWYPDHIFG-UHFFFAOYSA-N 1 1 404.514 4.480 50 0 HIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CC1(n2cccc2)CCCCC1 ZINC000524731318 569212286 /nfs/dbraw/zinc/21/22/86/569212286.db2.gz SKFUSBWEYFZEQN-XZOQPEGZSA-N 1 1 415.622 4.277 50 0 HIAAMO CC(=O)N(c1nc(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cs1)C1CC1 ZINC000089930393 569268973 /nfs/dbraw/zinc/26/89/73/569268973.db2.gz XXWDKQGCKHEQTP-GOTSBHOMSA-N 1 1 424.614 4.287 50 0 HIAAMO Cc1ccc(C[NH+]2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)o1 ZINC000252508161 569291416 /nfs/dbraw/zinc/29/14/16/569291416.db2.gz XETMIDHBGUIGHO-UHFFFAOYSA-N 1 1 407.480 4.393 50 0 HIAAMO c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](NCc4ccnc(O[C@H]5CCOC5)c4)[C@H]3C2)cc1 ZINC000252539714 569293214 /nfs/dbraw/zinc/29/32/14/569293214.db2.gz OKLILQZBYPVCSW-QORCZRPOSA-N 1 1 421.585 4.030 50 0 HIAAMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCc4ccnc(O[C@H]5CCOC5)c4)[C@H]3C2)cc1 ZINC000252539714 569293215 /nfs/dbraw/zinc/29/32/15/569293215.db2.gz OKLILQZBYPVCSW-QORCZRPOSA-N 1 1 421.585 4.030 50 0 HIAAMO C[C@@H]1C[C@@H](NC(=O)COc2ccc(C(F)(F)F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000170654897 569295472 /nfs/dbraw/zinc/29/54/72/569295472.db2.gz QEGOEQSOVOAAGH-APWZRJJASA-N 1 1 406.448 4.254 50 0 HIAAMO CCc1cc2c(C[N@H+]3CCC[C@@H]3c3cc(OC)ccc3OC)cc(=O)oc2cc1O ZINC000007718524 569302055 /nfs/dbraw/zinc/30/20/55/569302055.db2.gz AEJCWPWWSMPYBN-HXUWFJFHSA-N 1 1 409.482 4.415 50 0 HIAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006922898 569357008 /nfs/dbraw/zinc/35/70/08/569357008.db2.gz IFTUWZFWZFURTJ-YNJKOYDBSA-N 1 1 422.525 4.031 50 0 biogenic HIAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006922898 569357010 /nfs/dbraw/zinc/35/70/10/569357010.db2.gz IFTUWZFWZFURTJ-YNJKOYDBSA-N 1 1 422.525 4.031 50 0 biogenic HIAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC)c(OC)c1)[NH2+]C2 ZINC000055008573 569375273 /nfs/dbraw/zinc/37/52/73/569375273.db2.gz RIKATKKPDIAHGU-XMMPIXPASA-N 1 1 408.498 4.485 50 0 HIAAMO COCC[N@@H+]1CCCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000078702689 569417524 /nfs/dbraw/zinc/41/75/24/569417524.db2.gz AYMVPVUWWAIXSA-UHFFFAOYSA-N 1 1 421.566 4.271 50 0 HIAAMO COCC[N@H+]1CCCN(C(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)CC1 ZINC000078702689 569417525 /nfs/dbraw/zinc/41/75/25/569417525.db2.gz AYMVPVUWWAIXSA-UHFFFAOYSA-N 1 1 421.566 4.271 50 0 HIAAMO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(Br)ccc1OC(F)F ZINC000078947722 569421844 /nfs/dbraw/zinc/42/18/44/569421844.db2.gz JQEQFZSZCNCTFK-CYBMUJFWSA-N 1 1 400.263 4.434 50 0 HIAAMO O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079192647 569429266 /nfs/dbraw/zinc/42/92/66/569429266.db2.gz PQNRJMJROSCHRA-HNAYVOBHSA-N 1 1 403.979 4.387 50 0 HIAAMO COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008533033 571074794 /nfs/dbraw/zinc/07/47/94/571074794.db2.gz ZFRZEGHPLDGRIP-INIZCTEOSA-N 1 1 409.555 4.189 50 0 HIAAMO Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000040107932 571167885 /nfs/dbraw/zinc/16/78/85/571167885.db2.gz FDZQVOLQDRUPAM-IBGZPJMESA-N 1 1 410.606 4.247 50 0 HIAAMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000040154493 571201749 /nfs/dbraw/zinc/20/17/49/571201749.db2.gz FAHZHPWUPCCFJC-CQSZACIVSA-N 1 1 415.925 4.038 50 0 HIAAMO O=C(CCN1c2ccccc2Sc2ccccc21)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000069292237 571218165 /nfs/dbraw/zinc/21/81/65/571218165.db2.gz UNPBSHZSCHATPD-IBGZPJMESA-N 1 1 423.582 4.003 50 0 HIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)NCc2ccc(C)cc2)C1 ZINC000009151128 571230298 /nfs/dbraw/zinc/23/02/98/571230298.db2.gz HDUKWIFDQXTRFJ-UHFFFAOYSA-N 1 1 408.571 4.225 50 0 HIAAMO COC(=O)c1sc2nc(C[N@@H+](C)C(C)C)ccc2c1NC(=O)C1CCCCC1 ZINC000011911377 845840377 /nfs/dbraw/zinc/84/03/77/845840377.db2.gz SUVMKAONNJDDNJ-UHFFFAOYSA-N 1 1 403.548 4.442 50 0 HIAAMO COc1cccc2c1OCCC[N@H+]([C@H]1CCC(=O)N(Cc3ccc(C)cc3)CC1)C2 ZINC000011973180 845844802 /nfs/dbraw/zinc/84/48/02/845844802.db2.gz IVVLGUPLGPZCKS-QFIPXVFZSA-N 1 1 408.542 4.169 50 0 HIAAMO COc1cc2nc(N(C)C)c(C[NH2+]Cc3ccccc3Cl)cc2c(OC)c1OC ZINC000011981446 845845660 /nfs/dbraw/zinc/84/56/60/845845660.db2.gz BYGHXMDKKGSTLF-UHFFFAOYSA-N 1 1 415.921 4.270 50 0 HIAAMO CCN(Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCCC1 ZINC000012308239 845867100 /nfs/dbraw/zinc/86/71/00/845867100.db2.gz MCNKDPHYQQZDLF-XMMPIXPASA-N 1 1 411.590 4.108 50 0 HIAAMO CCN(Cc1ccncc1)Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012308239 845867102 /nfs/dbraw/zinc/86/71/02/845867102.db2.gz MCNKDPHYQQZDLF-XMMPIXPASA-N 1 1 411.590 4.108 50 0 HIAAMO COc1ccc2c(cc(C(=O)N(C)[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)n2C)c1 ZINC000012306868 845867382 /nfs/dbraw/zinc/86/73/82/845867382.db2.gz QYZXMSZGUGSXPG-LJQANCHMSA-N 1 1 409.505 4.063 50 0 HIAAMO COc1ccc2c(cc(C(=O)N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)n2C)c1 ZINC000012306868 845867383 /nfs/dbraw/zinc/86/73/83/845867383.db2.gz QYZXMSZGUGSXPG-LJQANCHMSA-N 1 1 409.505 4.063 50 0 HIAAMO Cc1cc(C[N@H+]2CCC[C@@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)oc1C ZINC000012431826 845870247 /nfs/dbraw/zinc/87/02/47/845870247.db2.gz VUBQILGVBXLZGK-DEOSSOPVSA-N 1 1 423.601 4.233 50 0 HIAAMO COc1cccc(C[C@]2(CO)CCC[N@@H+](CC3=Cc4cc(Cl)ccc4OC3)C2)c1 ZINC000012431035 845870584 /nfs/dbraw/zinc/87/05/84/845870584.db2.gz IMCXVUCDBLNIIV-XMMPIXPASA-N 1 1 413.945 4.442 50 0 HIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc4cnccc43)[N@H+]3CCC[C@@]23C1=O ZINC000014947962 845994307 /nfs/dbraw/zinc/99/43/07/845994307.db2.gz QUOHYKQEIUMELC-CHZKFRDHSA-N 1 1 413.521 4.181 50 0 HIAAMO COc1cc(C[N@@H+]2CCc3nnc(C(C)C)n3CC2)ccc1OCc1ccccc1 ZINC000014990562 845996875 /nfs/dbraw/zinc/99/68/75/845996875.db2.gz VQEYRVOEQFMFEC-UHFFFAOYSA-N 1 1 406.530 4.047 50 0 HIAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000015002390 845998864 /nfs/dbraw/zinc/99/88/64/845998864.db2.gz HEPSIQHITYTNSS-LJQANCHMSA-N 1 1 414.933 4.124 50 0 HIAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@](CO)(CCCc3ccccc3)C2)cc1 ZINC000015065944 846004987 /nfs/dbraw/zinc/00/49/87/846004987.db2.gz 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O=C(c1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1)N1CCCCC1 ZINC000025702956 558648292 /nfs/dbraw/zinc/64/82/92/558648292.db2.gz ODIXSXIZGOAZGY-XMMPIXPASA-N 1 1 419.569 4.156 50 0 HIAAMO CCOC(=O)[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CSCCSC2)C1 ZINC000014959264 558683416 /nfs/dbraw/zinc/68/34/16/558683416.db2.gz ROLSIBISDSOXEZ-HXUWFJFHSA-N 1 1 415.571 4.001 50 0 HIAAMO CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000014968193 558686672 /nfs/dbraw/zinc/68/66/72/558686672.db2.gz MQLMEUDVJWARHO-UHFFFAOYSA-N 1 1 423.479 4.310 50 0 HIAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)CC1CCOCC1 ZINC000014976535 558689457 /nfs/dbraw/zinc/68/94/57/558689457.db2.gz VKJTUWPBUBHBLM-UHFFFAOYSA-N 1 1 419.525 4.186 50 0 HIAAMO COc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+]2CCCCC2)cc1 ZINC000028291675 558697635 /nfs/dbraw/zinc/69/76/35/558697635.db2.gz APHLGGFQCRWVIC-OAQYLSRUSA-N 1 1 420.509 4.067 50 0 HIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccsc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015064660 558707528 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HIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000004687516 558898144 /nfs/dbraw/zinc/89/81/44/558898144.db2.gz QDBQYHHHPMSIHH-JVDNRXPZSA-N 1 1 421.566 4.376 50 0 HIAAMO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cnn1-c1cccc(Cl)c1 ZINC000058130800 558900381 /nfs/dbraw/zinc/90/03/81/558900381.db2.gz SYVMXEJQABWLPM-HXUWFJFHSA-N 1 1 422.960 4.476 50 0 HIAAMO COc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(Cl)c1OC(C)C ZINC000058368718 558922361 /nfs/dbraw/zinc/92/23/61/558922361.db2.gz JKWCLBCRVFXKPO-SFHVURJKSA-N 1 1 402.922 4.140 50 0 HIAAMO Cc1cc(Br)c(O)c(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000058418240 558925443 /nfs/dbraw/zinc/92/54/43/558925443.db2.gz FBXZWVFKGFDGCM-UHFFFAOYSA-N 1 1 409.368 4.191 50 0 HIAAMO COCC[N@@H+](Cc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn21)C(C)C ZINC000019607612 558946621 /nfs/dbraw/zinc/94/66/21/558946621.db2.gz FPDZKMXTHHVZOP-UHFFFAOYSA-N 1 1 420.985 4.251 50 0 HIAAMO C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000011208365 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1 422.569 4.322 50 0 HIAAMO Cc1ccc(S(=O)(=O)N2CC[NH+](Cn3c4ccccc4c4ccccc43)CC2)cc1 ZINC000033750707 559240760 /nfs/dbraw/zinc/24/07/60/559240760.db2.gz UDOVZKALHXIMOX-UHFFFAOYSA-N 1 1 419.550 4.067 50 0 HIAAMO COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000248165946 559266894 /nfs/dbraw/zinc/26/68/94/559266894.db2.gz OJKTZAAQZHTZBC-OFVILXPXSA-N 1 1 424.541 4.117 50 0 HIAAMO COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000248165946 559266895 /nfs/dbraw/zinc/26/68/95/559266895.db2.gz OJKTZAAQZHTZBC-OFVILXPXSA-N 1 1 424.541 4.117 50 0 HIAAMO C[N@@H+](C[C@@H](O)COCc1ccc2c(c1)OCO2)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000104805806 560855082 /nfs/dbraw/zinc/85/50/82/560855082.db2.gz IDPPVBCRAKJMDN-RCZVLFRGSA-N 1 1 423.484 4.153 50 0 HIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000104982870 560858940 /nfs/dbraw/zinc/85/89/40/560858940.db2.gz YCOIQORDEYDQNG-FGZHOGPDSA-N 1 1 416.949 4.121 50 0 HIAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCCC2 ZINC000105703723 560876927 /nfs/dbraw/zinc/87/69/27/560876927.db2.gz DPLKYXYRQXYXQW-RTBURBONSA-N 1 1 417.557 4.016 50 0 HIAAMO COc1ccc(C(=O)NC[C@@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000022907839 568416034 /nfs/dbraw/zinc/41/60/34/568416034.db2.gz PPWDDKCKEZUMCJ-FQEVSTJZSA-N 1 1 422.550 4.295 50 0 HIAAMO COc1ccc(C(=O)NC[C@@H](c2cccs2)[N@H+]2CCc3ccccc3C2)cc1OC ZINC000022907839 568416036 /nfs/dbraw/zinc/41/60/36/568416036.db2.gz PPWDDKCKEZUMCJ-FQEVSTJZSA-N 1 1 422.550 4.295 50 0 HIAAMO CC[C@](C)(CNC(=O)Nc1cccc(COc2cccc(F)c2)c1)[NH+]1CCOCC1 ZINC000048251097 568434230 /nfs/dbraw/zinc/43/42/30/568434230.db2.gz HAKLBUVMFVGTHW-HSZRJFAPSA-N 1 1 415.509 4.027 50 0 HIAAMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)CCc2c[nH]c3ccccc23)C[C@@H](C)O1 ZINC000048340372 568440268 /nfs/dbraw/zinc/44/02/68/568440268.db2.gz JDQGSFPWFFAMDB-RTBURBONSA-N 1 1 405.542 4.026 50 0 HIAAMO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)c1 ZINC000049403396 568448325 /nfs/dbraw/zinc/44/83/25/568448325.db2.gz BGHQUVVKXACRKQ-UHFFFAOYSA-N 1 1 408.477 4.311 50 0 HIAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(C)c(C)c4)CC3)n2)cc1 ZINC000049403444 568448336 /nfs/dbraw/zinc/44/83/36/568448336.db2.gz LDPDKBCYIPJTJU-UHFFFAOYSA-N 1 1 420.513 4.180 50 0 HIAAMO O=C(CCn1ccc2ccc(Br)cc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012296769 568462361 /nfs/dbraw/zinc/46/23/61/568462361.db2.gz QQYGRJKCRMSBOA-PKOBYXMFSA-N 1 1 418.379 4.175 50 0 HIAAMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000222058417 568513931 /nfs/dbraw/zinc/51/39/31/568513931.db2.gz ITDHDBLCBYQMEP-JXFKEZNVSA-N 1 1 414.937 4.262 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CC4=CCCCC4)C3)C2)c1OC ZINC000014980959 568581499 /nfs/dbraw/zinc/58/14/99/568581499.db2.gz KSHGIPCEWZZJPB-VWLOTQADSA-N 1 1 412.574 4.409 50 0 HIAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000020111193 568588419 /nfs/dbraw/zinc/58/84/19/568588419.db2.gz YPMLFSMYZFGFFZ-ZSNBAVAXSA-N 1 1 408.586 4.118 50 0 HIAAMO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(C)CC3)ccc2Sc2ccccc21 ZINC000020178838 568593138 /nfs/dbraw/zinc/59/31/38/568593138.db2.gz RRAMVFRSFGWWME-UHFFFAOYSA-N 1 1 422.598 4.049 50 0 HIAAMO C[C@@H](NC(=O)c1cccs1)[C@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288497 568597776 /nfs/dbraw/zinc/59/77/76/568597776.db2.gz NNXBPKZRFHDXSZ-DYESRHJHSA-N 1 1 411.596 4.491 50 0 HIAAMO CN1CC[NH+](CCCNC(=O)c2cc3c(s2)-c2ccc(Cl)cc2SC3)CC1 ZINC000020436387 568607216 /nfs/dbraw/zinc/60/72/16/568607216.db2.gz XQBQSUSUIVHSIQ-UHFFFAOYSA-N 1 1 422.019 4.042 50 0 HIAAMO CN1CC[NH+](CCc2cccc(NC(=O)[C@H]3C[C@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457786 568618576 /nfs/dbraw/zinc/61/85/76/568618576.db2.gz XWTDBUHFUKATNV-UIOOFZCWSA-N 1 1 413.565 4.372 50 0 HIAAMO CCCC[N@@H+](CCNC(=O)c1noc2c1COc1ccc(C)cc1-2)Cc1ccco1 ZINC000020510078 568621061 /nfs/dbraw/zinc/62/10/61/568621061.db2.gz DKCQZENQEVWPGE-UHFFFAOYSA-N 1 1 409.486 4.168 50 0 HIAAMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)C2)n1 ZINC000225423483 568636731 /nfs/dbraw/zinc/63/67/31/568636731.db2.gz KARNLJCDSALMLB-XMMPIXPASA-N 1 1 402.542 4.190 50 0 HIAAMO Cc1cc(C2CC[NH+]([C@H](C)CC(=O)Nc3cccc(Br)c3)CC2)n[nH]1 ZINC000095940888 568661720 /nfs/dbraw/zinc/66/17/20/568661720.db2.gz KNPBSWCTLGTVJA-CQSZACIVSA-N 1 1 405.340 4.077 50 0 HIAAMO Cc1cccc(-c2nc(CC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)cs2)c1 ZINC000095943232 568662636 /nfs/dbraw/zinc/66/26/36/568662636.db2.gz QPBUBGNWRFKWKO-PGRDOPGGSA-N 1 1 405.567 4.298 50 0 HIAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(OC)cc32)c2ccccc2F)CC1 ZINC000096275639 568714476 /nfs/dbraw/zinc/71/44/76/568714476.db2.gz GZYCYTGYTOXPJD-IBGZPJMESA-N 1 1 409.505 4.002 50 0 HIAAMO Cc1cc2[nH]c(C(=O)Nc3cccc(Cl)c3F)c(C[NH+]3CCOCC3)c2s1 ZINC000096363821 568739671 /nfs/dbraw/zinc/73/96/71/568739671.db2.gz UVZXXZNGQRHPHY-UHFFFAOYSA-N 1 1 407.898 4.415 50 0 HIAAMO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2ccccc21 ZINC000248083305 568747230 /nfs/dbraw/zinc/74/72/30/568747230.db2.gz QSPLUSNXIBZLRT-OAHLLOKOSA-N 1 1 416.447 4.443 50 0 HIAAMO Cn1c(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2ccccc21 ZINC000248083305 568747231 /nfs/dbraw/zinc/74/72/31/568747231.db2.gz QSPLUSNXIBZLRT-OAHLLOKOSA-N 1 1 416.447 4.443 50 0 HIAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3cc(Cl)ccc3C)s2)CC1 ZINC000021880839 568757054 /nfs/dbraw/zinc/75/70/54/568757054.db2.gz FHXIRFHJMCKJTJ-UHFFFAOYSA-N 1 1 416.982 4.045 50 0 HIAAMO COc1ccc2c(C[N@H+](C)Cc3c(C)nn(-c4ccccc4)c3C)cc(=O)oc2c1 ZINC000055941560 568784538 /nfs/dbraw/zinc/78/45/38/568784538.db2.gz FFLRXJLOHHIOIN-UHFFFAOYSA-N 1 1 403.482 4.236 50 0 HIAAMO COc1ccc2c(C[N@@H+](C)Cc3c(C)nn(-c4ccccc4)c3C)cc(=O)oc2c1 ZINC000055941560 568784540 /nfs/dbraw/zinc/78/45/40/568784540.db2.gz FFLRXJLOHHIOIN-UHFFFAOYSA-N 1 1 403.482 4.236 50 0 HIAAMO Fc1cccc(Cl)c1Cn1nc(C[NH2+]Cc2ccncc2)c(-c2ccccc2)n1 ZINC000261491764 568820181 /nfs/dbraw/zinc/82/01/81/568820181.db2.gz 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/nfs/dbraw/zinc/87/10/08/845871008.db2.gz KTERCUZPTVNXKG-ZJOUEHCJSA-N 1 1 401.432 4.038 50 0 HIAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012704754 845884056 /nfs/dbraw/zinc/88/40/56/845884056.db2.gz KLFAUVIOYLLNHN-OAQYLSRUSA-N 1 1 420.509 4.168 50 0 HIAAMO O=C(Nc1ccc(-c2ccco2)cc1)[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012704760 845884288 /nfs/dbraw/zinc/88/42/88/845884288.db2.gz KLFAUVIOYLLNHN-NRFANRHFSA-N 1 1 420.509 4.168 50 0 HIAAMO Cc1nc(NCc2ccc3c(c2)CCO3)sc1-c1ccn(C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000015001817 845998954 /nfs/dbraw/zinc/99/89/54/845998954.db2.gz SLYHPKTZZAYYKO-GOSISDBHSA-N 1 1 423.586 4.204 50 0 HIAAMO CC(C)C[N@@H+](C)[C@@H]1CCc2c(sc3ncn(C4Cc5ccccc5C4)c(=O)c23)C1 ZINC000015004020 845999101 /nfs/dbraw/zinc/99/91/01/845999101.db2.gz ZJYXOCIVLCEXMV-GOSISDBHSA-N 1 1 407.583 4.243 50 0 HIAAMO COC(=O)c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000019632831 846370089 /nfs/dbraw/zinc/37/00/89/846370089.db2.gz 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COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)CC1 ZINC000022853461 846629584 /nfs/dbraw/zinc/62/95/84/846629584.db2.gz ANSCVXZOTFEVLQ-QGZVFWFLSA-N 1 1 405.995 4.197 50 0 HIAAMO Cc1ccccc1-c1nn(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c(=S)o1 ZINC000023256979 846676872 /nfs/dbraw/zinc/67/68/72/846676872.db2.gz STKDBGDRZWVADA-YRNVUSSQSA-N 1 1 406.555 4.470 50 0 HIAAMO C/C(=C\c1ccccc1)CNc1nc(C)c(-c2ccn(CC[NH+]3CCOCC3)n2)s1 ZINC000023337190 846685312 /nfs/dbraw/zinc/68/53/12/846685312.db2.gz HIQSDGHLGIKMTF-FBMGVBCBSA-N 1 1 423.586 4.163 50 0 HIAAMO COc1ccc(-c2ncc(CN3CCC[C@@H]([N@H+]4CCc5ccccc5C4)C3)cn2)cc1 ZINC000023361358 846689997 /nfs/dbraw/zinc/68/99/97/846689997.db2.gz SAMFYTMCPRPHKS-XMMPIXPASA-N 1 1 414.553 4.175 50 0 HIAAMO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]4C[N@@H+](CC(C)C)CC[C@@H]43)cc2)n1 ZINC000023380419 846691167 /nfs/dbraw/zinc/69/11/67/846691167.db2.gz RTQXSAVAMGVIMY-RPWUZVMVSA-N 1 1 408.590 4.131 50 0 HIAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)[C@@H]1CCC(=O)N(Cc2cccnc2)CC1 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COc1ccccc1C1=C2C(=[NH2+])N(CCCO)C=N[C@@H]2Oc2c3ccccc3ccc21 ZINC000044928670 524371933 /nfs/dbraw/zinc/37/19/33/524371933.db2.gz SXGIBWNSMJMRKY-RUZDIDTESA-N 1 1 413.477 4.072 50 0 HIAAMO C[C@H](CNC(=O)c1cc(Br)ccc1Cl)[N@H+]1CCc2ccccc2C1 ZINC000032800722 524458391 /nfs/dbraw/zinc/45/83/91/524458391.db2.gz MKASPWRFSUMJOR-CYBMUJFWSA-N 1 1 407.739 4.279 50 0 HIAAMO Cc1cccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000019798969 524715708 /nfs/dbraw/zinc/71/57/08/524715708.db2.gz QDGZJIIPMOFSCD-UHFFFAOYSA-N 1 1 400.522 4.308 50 0 HIAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](N4CCN(c5ccccc5)CC4)C3)c(C)c2c1 ZINC000020600340 525480436 /nfs/dbraw/zinc/48/04/36/525480436.db2.gz QRGVVBSBURSORU-JOCHJYFZSA-N 1 1 418.585 4.272 50 0 HIAAMO COc1ccc2[nH]c(CN3CCC[C@@H]([NH+]4CCN(c5ccccc5)CC4)C3)c(C)c2c1 ZINC000020600340 525480440 /nfs/dbraw/zinc/48/04/40/525480440.db2.gz QRGVVBSBURSORU-JOCHJYFZSA-N 1 1 418.585 4.272 50 0 HIAAMO C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)c1ccc(Cl)cc1 ZINC000032865539 525911009 /nfs/dbraw/zinc/91/10/09/525911009.db2.gz VMOKLPZUULCAMG-LRXVAGHRSA-N 1 1 416.949 4.129 50 0 HIAAMO O=C(CCC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)NCc1ccc(F)cc1 ZINC000020601505 526408673 /nfs/dbraw/zinc/40/86/73/526408673.db2.gz HDMMBTSVXACVRY-VWLOTQADSA-N 1 1 423.576 4.209 50 0 HIAAMO O=C(CCC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)NCc1ccc(F)cc1 ZINC000020601505 526408676 /nfs/dbraw/zinc/40/86/76/526408676.db2.gz HDMMBTSVXACVRY-VWLOTQADSA-N 1 1 423.576 4.209 50 0 HIAAMO c1nn2c(nc(-c3ccccc3)cc2NCCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000020572337 526621754 /nfs/dbraw/zinc/62/17/54/526621754.db2.gz PAGZFKWFHWYXJV-UHFFFAOYSA-N 1 1 413.525 4.198 50 0 HIAAMO O=C(Nc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1)c1ccc(F)cc1 ZINC000032913849 527330459 /nfs/dbraw/zinc/33/04/59/527330459.db2.gz WYLRIBBPDNRVOD-QHCPKHFHSA-N 1 1 417.484 4.082 50 0 HIAAMO COCCN(C[C@@H]1C[N@@H+](Cc2ccc(C)o2)C[C@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000034740523 557444049 /nfs/dbraw/zinc/44/40/49/557444049.db2.gz XMJZRTUJAVPONG-REWPJTCUSA-N 1 1 416.537 4.074 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)CC(C)C)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855816 557477560 /nfs/dbraw/zinc/47/75/60/557477560.db2.gz MASZULSCKNASFS-JOCHJYFZSA-N 1 1 410.558 4.274 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)CC(C)C)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855816 557477561 /nfs/dbraw/zinc/47/75/61/557477561.db2.gz MASZULSCKNASFS-JOCHJYFZSA-N 1 1 410.558 4.274 50 0 HIAAMO O=C1C[C@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000004615479 557572868 /nfs/dbraw/zinc/57/28/68/557572868.db2.gz KXWZWTCTPRIFGK-FQEVSTJZSA-N 1 1 416.443 4.292 50 0 HIAAMO COc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccccc1)N1NC=NC1=[NH+]2 ZINC000005671291 557667906 /nfs/dbraw/zinc/66/79/06/557667906.db2.gz KVCGGWDMMHNQQC-ZEQRLZLVSA-N 1 1 408.461 4.499 50 0 HIAAMO C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022822688 557833215 /nfs/dbraw/zinc/83/32/15/557833215.db2.gz SKUWRUUFSFSHRT-MRXNPFEDSA-N 1 1 422.356 4.017 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022921893 558263808 /nfs/dbraw/zinc/26/38/08/558263808.db2.gz BGJMXTWCMLLLQP-WIYYLYMNSA-N 1 1 401.938 4.102 50 0 HIAAMO CCN1CCC[C@@H]1C[NH2+][C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022921893 558263812 /nfs/dbraw/zinc/26/38/12/558263812.db2.gz BGJMXTWCMLLLQP-WIYYLYMNSA-N 1 1 401.938 4.102 50 0 HIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1 ZINC000011702022 558270525 /nfs/dbraw/zinc/27/05/25/558270525.db2.gz BBXOBQQAVYZQAY-IBGZPJMESA-N 1 1 413.562 4.356 50 0 HIAAMO O=C(NCCC[NH+]1CCOCC1)c1cc(-c2ccc(Cl)s2)nc2ccccc21 ZINC000019760070 558276119 /nfs/dbraw/zinc/27/61/19/558276119.db2.gz ASLCIXDFMWUJGJ-UHFFFAOYSA-N 1 1 415.946 4.069 50 0 HIAAMO COc1cccc(-c2cc(CC3(O)CC[NH+](Cc4ccc(F)c(F)c4)CC3)on2)c1 ZINC000011816532 558279803 /nfs/dbraw/zinc/27/98/03/558279803.db2.gz YKOWUIRXPGBMGH-UHFFFAOYSA-N 1 1 414.452 4.198 50 0 HIAAMO Cc1nc2ccccc2n1CCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000011819652 558282941 /nfs/dbraw/zinc/28/29/41/558282941.db2.gz REFNZGXFUSIEJN-FQEVSTJZSA-N 1 1 410.949 4.169 50 0 HIAAMO Cc1nc2ccccc2n1CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000011819652 558282942 /nfs/dbraw/zinc/28/29/42/558282942.db2.gz REFNZGXFUSIEJN-FQEVSTJZSA-N 1 1 410.949 4.169 50 0 HIAAMO CN(C)c1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000011820602 558283930 /nfs/dbraw/zinc/28/39/30/558283930.db2.gz AGTMDVRMBVEJTR-DEOSSOPVSA-N 1 1 413.512 4.159 50 0 HIAAMO Cc1nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](CCCc4ccccc4)C3)cc2nc1C ZINC000011840744 558286690 /nfs/dbraw/zinc/28/66/90/558286690.db2.gz ZVBAXDBJOVXJDM-HSZRJFAPSA-N 1 1 416.569 4.416 50 0 HIAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000011840803 558286741 /nfs/dbraw/zinc/28/67/41/558286741.db2.gz XMBKFERFHDQRJC-QGZVFWFLSA-N 1 1 400.906 4.402 50 0 HIAAMO COc1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019831878 558292014 /nfs/dbraw/zinc/29/20/14/558292014.db2.gz SYLFRMQYMKBBHX-UHFFFAOYSA-N 1 1 416.521 4.008 50 0 HIAAMO COc1ccc(C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(OC)c1OC ZINC000011954255 558303242 /nfs/dbraw/zinc/30/32/42/558303242.db2.gz KCDLFGYKMSNHEV-ZDUSSCGKSA-N 1 1 417.456 4.336 50 0 HIAAMO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cs1 ZINC000012004326 558308987 /nfs/dbraw/zinc/30/89/87/558308987.db2.gz DLCDLCAZDOEVLT-JOCHJYFZSA-N 1 1 400.519 4.218 50 0 HIAAMO CC(=O)c1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cs1 ZINC000012004326 558308989 /nfs/dbraw/zinc/30/89/89/558308989.db2.gz DLCDLCAZDOEVLT-JOCHJYFZSA-N 1 1 400.519 4.218 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)CCc2cn[nH]c2)cc1F ZINC000012021578 558309458 /nfs/dbraw/zinc/30/94/58/558309458.db2.gz MHJFQEFDYPHILX-UHFFFAOYSA-N 1 1 419.504 4.393 50 0 HIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cc1ccc(OC)cc1 ZINC000012049542 558313635 /nfs/dbraw/zinc/31/36/35/558313635.db2.gz XIXOQFJULKQCDT-QFIPXVFZSA-N 1 1 412.549 4.180 50 0 HIAAMO Cc1ccccc1C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000020207353 558346732 /nfs/dbraw/zinc/34/67/32/558346732.db2.gz YQENGNNQUJNFNI-VWLOTQADSA-N 1 1 419.613 4.332 50 0 HIAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)cc2)c1 ZINC000012203660 558351978 /nfs/dbraw/zinc/35/19/78/558351978.db2.gz WXBVOUWKWNJERR-NRFANRHFSA-N 1 1 418.541 4.255 50 0 HIAAMO CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000020327588 558355608 /nfs/dbraw/zinc/35/56/08/558355608.db2.gz PEZUDOXPIRBOCQ-UHFFFAOYSA-N 1 1 405.976 4.412 50 0 HIAAMO CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000020327588 558355610 /nfs/dbraw/zinc/35/56/10/558355610.db2.gz PEZUDOXPIRBOCQ-UHFFFAOYSA-N 1 1 405.976 4.412 50 0 HIAAMO CC(C)C[N@@H+](C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn21 ZINC000012300176 558370137 /nfs/dbraw/zinc/37/01/37/558370137.db2.gz WNTSKWXHHZPLHQ-UHFFFAOYSA-N 1 1 410.949 4.274 50 0 HIAAMO CN(C(=O)c1cn2cc(Cl)ccc2n1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012307201 558375944 /nfs/dbraw/zinc/37/59/44/558375944.db2.gz PMCQLRMCSZXJJM-FQEVSTJZSA-N 1 1 410.949 4.157 50 0 HIAAMO FC(F)(F)c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3CCn3ccnc3)n2)cc1 ZINC000012316930 558380292 /nfs/dbraw/zinc/38/02/92/558380292.db2.gz YFXDDFAAJCGHKD-QGZVFWFLSA-N 1 1 405.424 4.397 50 0 HIAAMO COc1ccc(CN(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)cc1O ZINC000012387826 558396710 /nfs/dbraw/zinc/39/67/10/558396710.db2.gz YPKHPGPBPDSCTF-UHFFFAOYSA-N 1 1 409.574 4.453 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)cc1F ZINC000012438714 558410106 /nfs/dbraw/zinc/41/01/06/558410106.db2.gz QMWURRWMOVTHNI-QGZVFWFLSA-N 1 1 411.452 4.458 50 0 HIAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3[nH]c4ccccc4c3C)C2)CC1 ZINC000020919135 558423425 /nfs/dbraw/zinc/42/34/25/558423425.db2.gz PSWSZLNEMPJBJV-OAQYLSRUSA-N 1 1 418.585 4.272 50 0 HIAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3[nH]c4ccccc4c3C)C2)CC1 ZINC000020919135 558423428 /nfs/dbraw/zinc/42/34/28/558423428.db2.gz PSWSZLNEMPJBJV-OAQYLSRUSA-N 1 1 418.585 4.272 50 0 HIAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012571605 558429485 /nfs/dbraw/zinc/42/94/85/558429485.db2.gz NDLFSCBWJCBHOS-HXUWFJFHSA-N 1 1 420.532 4.335 50 0 HIAAMO Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc(C(F)(F)F)nc3ccccc32)cc1 ZINC000021674514 558445724 /nfs/dbraw/zinc/44/57/24/558445724.db2.gz VZJQKCTVZYMXTK-LJQANCHMSA-N 1 1 416.447 4.442 50 0 HIAAMO COC(=O)Cn1cc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c2cc(OC)ccc21 ZINC000021719718 558446648 /nfs/dbraw/zinc/44/66/48/558446648.db2.gz VLRNQSKHVSGVSH-OAQYLSRUSA-N 1 1 411.502 4.271 50 0 HIAAMO COC(=O)Cn1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)c2cc(OC)ccc21 ZINC000021719718 558446651 /nfs/dbraw/zinc/44/66/51/558446651.db2.gz VLRNQSKHVSGVSH-OAQYLSRUSA-N 1 1 411.502 4.271 50 0 HIAAMO COC(=O)Cn1cc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)c2cc(OC)ccc21 ZINC000021719720 558446772 /nfs/dbraw/zinc/44/67/72/558446772.db2.gz VLRNQSKHVSGVSH-NRFANRHFSA-N 1 1 411.502 4.271 50 0 HIAAMO COC(=O)Cn1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)c2cc(OC)ccc21 ZINC000021719720 558446775 /nfs/dbraw/zinc/44/67/75/558446775.db2.gz VLRNQSKHVSGVSH-NRFANRHFSA-N 1 1 411.502 4.271 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(C)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021795322 558449585 /nfs/dbraw/zinc/44/95/85/558449585.db2.gz SUARSXZZDAGTQP-UHFFFAOYSA-N 1 1 416.529 4.500 50 0 HIAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012710485 558452067 /nfs/dbraw/zinc/45/20/67/558452067.db2.gz FAQOKGTXTODEAO-RUZDIDTESA-N 1 1 408.542 4.341 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000021847961 558452221 /nfs/dbraw/zinc/45/22/21/558452221.db2.gz HFUCEGYVZWQMBK-SIKLNZKXSA-N 1 1 410.514 4.040 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)C1 ZINC000021847961 558452224 /nfs/dbraw/zinc/45/22/24/558452224.db2.gz HFUCEGYVZWQMBK-SIKLNZKXSA-N 1 1 410.514 4.040 50 0 HIAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)n1 ZINC000012744284 558457558 /nfs/dbraw/zinc/45/75/58/558457558.db2.gz KEJLVQXSBBISOK-RUZDIDTESA-N 1 1 407.533 4.445 50 0 HIAAMO CCCn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc4ccccc43)C2)c(C)n1 ZINC000012756740 558459986 /nfs/dbraw/zinc/45/99/86/558459986.db2.gz MADHZUAHDJZKME-HXUWFJFHSA-N 1 1 404.558 4.397 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835405 558477764 /nfs/dbraw/zinc/47/77/64/558477764.db2.gz HOYLVKNZWUGEJS-FQEVSTJZSA-N 1 1 400.588 4.346 50 0 HIAAMO Cc1ccccc1OCC[N@H+](C)Cc1cc(=O)oc2cc(Br)ccc12 ZINC000012998148 558499479 /nfs/dbraw/zinc/49/94/79/558499479.db2.gz ZXRWNSLHDICSNI-UHFFFAOYSA-N 1 1 402.288 4.375 50 0 HIAAMO Cc1sc2nc(-c3cccs3)nc(NCC(C)(C)N3CC[NH+](C)CC3)c2c1C ZINC000022930254 558523958 /nfs/dbraw/zinc/52/39/58/558523958.db2.gz PNOWADNPAWQYCM-UHFFFAOYSA-N 1 1 415.632 4.475 50 0 HIAAMO COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022935262 558526352 /nfs/dbraw/zinc/52/63/52/558526352.db2.gz YXXOPVLTAUMSDI-QGZVFWFLSA-N 1 1 409.555 4.055 50 0 HIAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2cccnc2)cc1)c1ccccc1Cl ZINC000023114034 558534814 /nfs/dbraw/zinc/53/48/14/558534814.db2.gz DHINBGXAPDOEGL-JOCHJYFZSA-N 1 1 409.917 4.347 50 0 HIAAMO CC(C)C[N@H+]1CCO[C@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000024602330 558602455 /nfs/dbraw/zinc/60/24/55/558602455.db2.gz WZBNKLGHUGBFFF-QGZVFWFLSA-N 1 1 423.586 4.011 50 0 HIAAMO C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000025048983 558628519 /nfs/dbraw/zinc/62/85/19/558628519.db2.gz CRKOXJBUEYYTNL-IQMFZBJNSA-N 1 1 423.513 4.330 50 0 HIAAMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000025182460 558633934 /nfs/dbraw/zinc/63/39/34/558633934.db2.gz NYDHVJOBJBKPRZ-NRFANRHFSA-N 1 1 416.481 4.292 50 0 HIAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(C2SCCS2)cc1)[NH+](C)C ZINC000014201551 558637028 /nfs/dbraw/zinc/63/70/28/558637028.db2.gz YWGJZJYXRXGGQW-SFHVURJKSA-N 1 1 402.585 4.207 50 0 HIAAMO O=C(COc1ccccc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000025315869 558637648 /nfs/dbraw/zinc/63/76/48/558637648.db2.gz CEFTZYMCWSNZQV-UHFFFAOYSA-N 1 1 404.485 4.138 50 0 HIAAMO C[C@@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000027364045 558672551 /nfs/dbraw/zinc/67/25/51/558672551.db2.gz XZXLUIJJQFAIPL-SFHVURJKSA-N 1 1 407.514 4.168 50 0 HIAAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(N4CCNC4=O)cc3)C2)c1 ZINC000014954509 558681963 /nfs/dbraw/zinc/68/19/63/558681963.db2.gz CPVXCXKQDBIDAZ-NRFANRHFSA-N 1 1 421.541 4.098 50 0 HIAAMO CCOC(=O)[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CSCCSC2)C1 ZINC000014959270 558683327 /nfs/dbraw/zinc/68/33/27/558683327.db2.gz ROLSIBISDSOXEZ-FQEVSTJZSA-N 1 1 415.571 4.001 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccs1 ZINC000014990358 558694024 /nfs/dbraw/zinc/69/40/24/558694024.db2.gz WCOKROSCDJIRSM-KRWDZBQOSA-N 1 1 402.560 4.188 50 0 HIAAMO Cc1ccnc(S[C@H]2C[C@@H](C(=O)NC(C)C)[N@@H+](Cc3ccc4ccccc4c3)C2)n1 ZINC000014990634 558694320 /nfs/dbraw/zinc/69/43/20/558694320.db2.gz FVLYDIKJCWKVFG-VXKWHMMOSA-N 1 1 420.582 4.198 50 0 HIAAMO Cc1ccnc(S[C@H]2C[C@@H](C(=O)NC(C)C)[N@H+](Cc3ccc4ccccc4c3)C2)n1 ZINC000014990634 558694323 /nfs/dbraw/zinc/69/43/23/558694323.db2.gz FVLYDIKJCWKVFG-VXKWHMMOSA-N 1 1 420.582 4.198 50 0 HIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)c(C)c1 ZINC000015068034 558710607 /nfs/dbraw/zinc/71/06/07/558710607.db2.gz QFHZQBJTRJMALG-QGZVFWFLSA-N 1 1 416.591 4.157 50 0 HIAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310237 558731588 /nfs/dbraw/zinc/73/15/88/558731588.db2.gz PVOGOZMEWZVTMF-HXUWFJFHSA-N 1 1 414.933 4.297 50 0 HIAAMO CN(Cc1cccc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310237 558731589 /nfs/dbraw/zinc/73/15/89/558731589.db2.gz PVOGOZMEWZVTMF-HXUWFJFHSA-N 1 1 414.933 4.297 50 0 HIAAMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955306 558746960 /nfs/dbraw/zinc/74/69/60/558746960.db2.gz UTTUCQDEJFSIBR-UHFFFAOYSA-N 1 1 414.868 4.380 50 0 HIAAMO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2Cc2ccccc2Cl)cc1CO ZINC000072304025 558756667 /nfs/dbraw/zinc/75/66/67/558756667.db2.gz ACGDNJQSNUFERE-HXUWFJFHSA-N 1 1 416.949 4.267 50 0 HIAAMO CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2Cc2ccccc2Cl)cc1CO ZINC000072304026 558756750 /nfs/dbraw/zinc/75/67/50/558756750.db2.gz ACGDNJQSNUFERE-FQEVSTJZSA-N 1 1 416.949 4.267 50 0 HIAAMO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000016339558 558786831 /nfs/dbraw/zinc/78/68/31/558786831.db2.gz JLWDFXHLWISJBH-NRFANRHFSA-N 1 1 408.542 4.422 50 0 HIAAMO Cc1ccc([C@H]2C[N@@H+](C)[C@]3(c4ccccc4NC3=O)[C@@]23COc2ccccc2C3=O)cc1 ZINC000036382165 558799679 /nfs/dbraw/zinc/79/96/79/558799679.db2.gz CYYZPJAXGZCLPS-AIGMYPEUSA-N 1 1 424.500 4.133 50 0 HIAAMO Cc1ccc([C@H]2C[N@H+](C)[C@]3(c4ccccc4NC3=O)[C@@]23COc2ccccc2C3=O)cc1 ZINC000036382165 558799682 /nfs/dbraw/zinc/79/96/82/558799682.db2.gz CYYZPJAXGZCLPS-AIGMYPEUSA-N 1 1 424.500 4.133 50 0 HIAAMO CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=S)N1CCC[N@@H+](C)CC1 ZINC000036646106 558800623 /nfs/dbraw/zinc/80/06/23/558800623.db2.gz RCSNODUQTPHMSG-UHFFFAOYSA-N 1 1 421.563 4.065 50 0 HIAAMO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1Br ZINC000016695027 558800865 /nfs/dbraw/zinc/80/08/65/558800865.db2.gz QOZBFYCDIITBEO-NEPJUHHUSA-N 1 1 402.292 4.106 50 0 HIAAMO C[NH+]1CCN([C@@H](CNC(=O)Cc2ccc(-c3ccccc3)cc2)c2cccs2)CC1 ZINC000032983772 558804783 /nfs/dbraw/zinc/80/47/83/558804783.db2.gz ZDVSJBHTIVUMIU-QHCPKHFHSA-N 1 1 419.594 4.063 50 0 HIAAMO O=C1C[C@@H]([NH+]2CCC(CCc3cccc(F)c3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000018218009 558833765 /nfs/dbraw/zinc/83/37/65/558833765.db2.gz KEAWYIHNWRQLBH-OAQYLSRUSA-N 1 1 414.908 4.456 50 0 HIAAMO COc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)o2)cc1 ZINC000060339738 558852444 /nfs/dbraw/zinc/85/24/44/558852444.db2.gz CCYRXTMOBOBNRG-KRWDZBQOSA-N 1 1 415.534 4.429 50 0 HIAAMO COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)o2)cc1 ZINC000060339738 558852447 /nfs/dbraw/zinc/85/24/47/558852447.db2.gz CCYRXTMOBOBNRG-KRWDZBQOSA-N 1 1 415.534 4.429 50 0 HIAAMO O=C(CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1)NC1CCCC1 ZINC000033069231 558865888 /nfs/dbraw/zinc/86/58/88/558865888.db2.gz LNNOVVRMYBPBHW-UHFFFAOYSA-N 1 1 414.937 4.004 50 0 HIAAMO O=C(CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1)NC1CCCC1 ZINC000033069231 558865889 /nfs/dbraw/zinc/86/58/89/558865889.db2.gz LNNOVVRMYBPBHW-UHFFFAOYSA-N 1 1 414.937 4.004 50 0 HIAAMO CCOc1ccc(CN(CCOC)C[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100071 558872274 /nfs/dbraw/zinc/87/22/74/558872274.db2.gz DLGBYQUVPKNUON-HSZRJFAPSA-N 1 1 422.613 4.413 50 0 HIAAMO O[C@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000019360088 558876038 /nfs/dbraw/zinc/87/60/38/558876038.db2.gz ANKIBSSXGRNMRX-QHCPKHFHSA-N 1 1 413.565 4.016 50 0 HIAAMO CCOC(=O)C1=C(C[NH2+]C(C)(C)CC(C)(C)C)NC(=O)N[C@@H]1c1cc(C)ccc1C ZINC000004689223 558899244 /nfs/dbraw/zinc/89/92/44/558899244.db2.gz VPEHNWSWTAQEKI-HXUWFJFHSA-N 1 1 415.578 4.279 50 0 HIAAMO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1Cl ZINC000058161172 558905545 /nfs/dbraw/zinc/90/55/45/558905545.db2.gz YCQRIVCYGITNLI-AWEZNQCLSA-N 1 1 408.329 4.119 50 0 HIAAMO Clc1nc(NCCC[NH+]2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1 ZINC000019535319 558913537 /nfs/dbraw/zinc/91/35/37/558913537.db2.gz NWUNLJLWRHBYHH-UHFFFAOYSA-N 1 1 424.936 4.129 50 0 HIAAMO Cn1cc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000058266026 558915650 /nfs/dbraw/zinc/91/56/50/558915650.db2.gz HEXSWHMYDFGHMM-LOSJGSFVSA-N 1 1 401.554 4.376 50 0 HIAAMO COc1ccc(-n2cc(C[N@@H+](C)CCc3cn[nH]c3)c(-c3cccc(F)c3)n2)cc1 ZINC000019595621 558946057 /nfs/dbraw/zinc/94/60/57/558946057.db2.gz WUGWZYQEZDDQNV-UHFFFAOYSA-N 1 1 405.477 4.085 50 0 HIAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000011208388 558948763 /nfs/dbraw/zinc/94/87/63/558948763.db2.gz XOKYAAGXMBETNZ-GFCCVEGCSA-N 1 1 400.372 4.348 50 0 HIAAMO C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000011208388 558948765 /nfs/dbraw/zinc/94/87/65/558948765.db2.gz XOKYAAGXMBETNZ-GFCCVEGCSA-N 1 1 400.372 4.348 50 0 HIAAMO COC(=O)CC[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1CCOCC1 ZINC000097032749 558988208 /nfs/dbraw/zinc/98/82/08/558988208.db2.gz WTTOYYSJAAZIOS-UHFFFAOYSA-N 1 1 424.257 4.012 50 0 HIAAMO Cc1cccnc1CN(C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067852159 558994096 /nfs/dbraw/zinc/99/40/96/558994096.db2.gz HDFDXEGNFBPKFK-UHFFFAOYSA-N 1 1 418.541 4.105 50 0 HIAAMO CCOC(=O)[C@]1(Cc2cccc(Cl)c2)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000077375220 559002606 /nfs/dbraw/zinc/00/26/06/559002606.db2.gz PWDPXRMIFYUDJB-NRFANRHFSA-N 1 1 419.978 4.240 50 0 HIAAMO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5[nH]4)CC3)C2=O)cc1Cl ZINC000095399194 559081022 /nfs/dbraw/zinc/08/10/22/559081022.db2.gz FBSOWEJFGRVSIS-FQEVSTJZSA-N 1 1 422.916 4.036 50 0 HIAAMO O=C(c1c[nH]nc1-c1ccccc1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000426536587 559274661 /nfs/dbraw/zinc/27/46/61/559274661.db2.gz YSBCQSHPPJFRAO-AREMUKBSSA-N 1 1 414.553 4.248 50 0 HIAAMO Cc1nn(-c2ccccc2C)c2sc(C(=O)N3CC[NH+](C4CCCC4)CC3)cc12 ZINC000061932201 560562030 /nfs/dbraw/zinc/56/20/30/560562030.db2.gz KHMBMSWNDCSKTB-UHFFFAOYSA-N 1 1 408.571 4.404 50 0 HIAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1 ZINC000003233840 560590212 /nfs/dbraw/zinc/59/02/12/560590212.db2.gz DKAFXLDTDDESRE-QGZVFWFLSA-N 1 1 407.514 4.028 50 0 HIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)C1 ZINC000003233840 560590214 /nfs/dbraw/zinc/59/02/14/560590214.db2.gz DKAFXLDTDDESRE-QGZVFWFLSA-N 1 1 407.514 4.028 50 0 HIAAMO Cc1ccccc1N1C(=O)C[C@@H]([N@@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000101490610 560795991 /nfs/dbraw/zinc/79/59/91/560795991.db2.gz SXPGLWIDSRWUPR-QFBILLFUSA-N 1 1 405.523 4.116 50 0 HIAAMO Cc1ccccc1N1C(=O)C[C@@H]([N@H+]2CCC[C@H](c3nc4ccccc4s3)C2)C1=O ZINC000101490610 560795993 /nfs/dbraw/zinc/79/59/93/560795993.db2.gz SXPGLWIDSRWUPR-QFBILLFUSA-N 1 1 405.523 4.116 50 0 HIAAMO OCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000002715018 560885256 /nfs/dbraw/zinc/88/52/56/560885256.db2.gz LPYYWFDLBQVQNC-UHFFFAOYSA-N 1 1 409.287 4.254 50 0 HIAAMO CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107076438 560895236 /nfs/dbraw/zinc/89/52/36/560895236.db2.gz JVNZEMYXBWEJSX-UTKZUKDTSA-N 1 1 424.545 4.343 50 0 HIAAMO O=C(c1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1)N1CCCC[C@H]1CCO ZINC000108157416 560898149 /nfs/dbraw/zinc/89/81/49/560898149.db2.gz OHEWWTSYTUCAFM-DQEYMECFSA-N 1 1 421.585 4.140 50 0 HIAAMO COC(=O)c1cccc2c1C[N@H+](CC[C@@H]1CCC(=O)N1c1ccc(Cl)cc1)CC2 ZINC000601014548 568587576 /nfs/dbraw/zinc/58/75/76/568587576.db2.gz TUAVHLMGSWVCCW-IBGZPJMESA-N 1 1 412.917 4.070 50 0 HIAAMO COC(=O)c1cccc2c1C[N@@H+](CC[C@@H]1CCC(=O)N1c1ccc(Cl)cc1)CC2 ZINC000601014548 568587578 /nfs/dbraw/zinc/58/75/78/568587578.db2.gz TUAVHLMGSWVCCW-IBGZPJMESA-N 1 1 412.917 4.070 50 0 HIAAMO CC(C)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000095365199 568602041 /nfs/dbraw/zinc/60/20/41/568602041.db2.gz GURBKXXLTXXEDF-UHFFFAOYSA-N 1 1 402.485 4.248 50 0 HIAAMO O[C@H](CSc1c(Cl)cccc1Cl)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020385057 568603124 /nfs/dbraw/zinc/60/31/24/568603124.db2.gz DGLAWAKKMLEAPT-AWEZNQCLSA-N 1 1 415.361 4.408 50 0 HIAAMO Cc1nc(COc2ccc(CN3CCC[N@@H+](CCCc4ccccc4)CC3)cc2)no1 ZINC000095453828 568615915 /nfs/dbraw/zinc/61/59/15/568615915.db2.gz LQKCPQLNXDUKBF-UHFFFAOYSA-N 1 1 420.557 4.098 50 0 HIAAMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1)C[C@@H]1CCCCO1 ZINC000095461571 568620885 /nfs/dbraw/zinc/62/08/85/568620885.db2.gz JTRPZPKVTGCZQP-LPHOPBHVSA-N 1 1 416.484 4.372 50 0 HIAAMO Cc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1C ZINC000020730019 568640958 /nfs/dbraw/zinc/64/09/58/568640958.db2.gz MNZOCJMWOOFZRF-UHFFFAOYSA-N 1 1 418.541 4.047 50 0 HIAAMO C[N@@H+](CCCNC(=O)c1cnn(-c2cccc(F)c2)c1-n1cccc1)C1CCCCC1 ZINC000020980706 568654433 /nfs/dbraw/zinc/65/44/33/568654433.db2.gz PHCLWEOJIIEJBC-UHFFFAOYSA-N 1 1 423.536 4.187 50 0 HIAAMO COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(Cl)c(C[NH+](C)C)c3)no2)c1 ZINC000225623719 568658067 /nfs/dbraw/zinc/65/80/67/568658067.db2.gz VAIHKNLSRWYJIH-UHFFFAOYSA-N 1 1 415.877 4.326 50 0 HIAAMO CCN(C(=O)Nc1cc(OC)ccc1OC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942613 568662418 /nfs/dbraw/zinc/66/24/18/568662418.db2.gz MARUBFGRXUGEOV-QGZVFWFLSA-N 1 1 419.472 4.425 50 0 HIAAMO CCC[N@@H+](CC(=O)Nc1cc(OC)ccc1OC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000229746838 568715237 /nfs/dbraw/zinc/71/52/37/568715237.db2.gz SVAXMYVZZXPGMK-LEWJYISDSA-N 1 1 404.551 4.092 50 0 HIAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000022460570 568768570 /nfs/dbraw/zinc/76/85/70/568768570.db2.gz OGKMVRDUDFZFSR-HNAYVOBHSA-N 1 1 423.051 4.455 50 0 HIAAMO CC[N@H+]1CCC[C@H]1CNCc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491654 568820137 /nfs/dbraw/zinc/82/01/37/568820137.db2.gz BIESIXOYFYFWOF-NRFANRHFSA-N 1 1 409.965 4.221 50 0 HIAAMO CCN1CCC[C@H]1C[NH2+]Cc1nn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000261491654 568820139 /nfs/dbraw/zinc/82/01/39/568820139.db2.gz BIESIXOYFYFWOF-NRFANRHFSA-N 1 1 409.965 4.221 50 0 HIAAMO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000057332266 568827139 /nfs/dbraw/zinc/82/71/39/568827139.db2.gz ARLPMDCDHSTAJR-MRXNPFEDSA-N 1 1 421.472 4.376 50 0 HIAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000057386198 568831203 /nfs/dbraw/zinc/83/12/03/568831203.db2.gz CFBZBRXIQQFZOZ-UHFFFAOYSA-N 1 1 401.510 4.270 50 0 HIAAMO O=C(NC1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000057891813 568866210 /nfs/dbraw/zinc/86/62/10/568866210.db2.gz YIKOIGNOWSUSSG-XMMPIXPASA-N 1 1 413.521 4.261 50 0 HIAAMO CSc1ccccc1NC(=O)C[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000031039911 568910555 /nfs/dbraw/zinc/91/05/55/568910555.db2.gz YCHGZNPQNIYLTO-UHFFFAOYSA-N 1 1 407.539 4.461 50 0 HIAAMO CSc1ccccc1NC(=O)C[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000031039911 568910556 /nfs/dbraw/zinc/91/05/56/568910556.db2.gz YCHGZNPQNIYLTO-UHFFFAOYSA-N 1 1 407.539 4.461 50 0 HIAAMO O=C(N[C@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000004041481 568935921 /nfs/dbraw/zinc/93/59/21/568935921.db2.gz IZIOHWSZNUHKRR-LZLYRXPVSA-N 1 1 419.780 4.394 50 0 biogenic HIAAMO Cc1ccc(C[N@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c(C)c1 ZINC000012754063 568942115 /nfs/dbraw/zinc/94/21/15/568942115.db2.gz DUOJWORPAUWGDI-LJQANCHMSA-N 1 1 419.447 4.042 50 0 HIAAMO Cc1ccc(C[N@@H+](C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c(C)c1 ZINC000012754063 568942116 /nfs/dbraw/zinc/94/21/16/568942116.db2.gz DUOJWORPAUWGDI-LJQANCHMSA-N 1 1 419.447 4.042 50 0 HIAAMO CC[N@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007985847 568964517 /nfs/dbraw/zinc/96/45/17/568964517.db2.gz HYBRYRBBJLJHBZ-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000007985847 568964519 /nfs/dbraw/zinc/96/45/19/568964519.db2.gz HYBRYRBBJLJHBZ-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000012793005 568969343 /nfs/dbraw/zinc/96/93/43/568969343.db2.gz PWZGZOWXJRPHOE-DEOSSOPVSA-N 1 1 419.569 4.399 50 0 HIAAMO COc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000008231138 568984137 /nfs/dbraw/zinc/98/41/37/568984137.db2.gz OUZXLQLPKCWIRZ-IBGZPJMESA-N 1 1 411.546 4.023 50 0 HIAAMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 ZINC000008231138 568984139 /nfs/dbraw/zinc/98/41/39/568984139.db2.gz OUZXLQLPKCWIRZ-IBGZPJMESA-N 1 1 411.546 4.023 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000012973061 569041714 /nfs/dbraw/zinc/04/17/14/569041714.db2.gz VAPOKKTVCOMYBS-CYBMUJFWSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000012973061 569041715 /nfs/dbraw/zinc/04/17/15/569041715.db2.gz VAPOKKTVCOMYBS-CYBMUJFWSA-N 1 1 404.301 4.206 50 0 HIAAMO CC(C)[N@H+](Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1)C[C@H]1CCCCO1 ZINC000241144858 569054702 /nfs/dbraw/zinc/05/47/02/569054702.db2.gz JTRPZPKVTGCZQP-QFBILLFUSA-N 1 1 416.484 4.372 50 0 HIAAMO C[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843618 569062471 /nfs/dbraw/zinc/06/24/71/569062471.db2.gz JBXOWHOWSUYNLA-IBGZPJMESA-N 1 1 423.351 4.294 50 0 HIAAMO C[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843618 569062470 /nfs/dbraw/zinc/06/24/70/569062470.db2.gz JBXOWHOWSUYNLA-IBGZPJMESA-N 1 1 423.351 4.294 50 0 HIAAMO CC[C@H](C)NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871491 569064077 /nfs/dbraw/zinc/06/40/77/569064077.db2.gz MXXYEPYUERUDMJ-NYSBEXSLSA-N 1 1 423.523 4.226 50 0 HIAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)c1 ZINC000036065579 569085823 /nfs/dbraw/zinc/08/58/23/569085823.db2.gz CWUOKTSRRZXXCB-QGZVFWFLSA-N 1 1 411.502 4.253 50 0 HIAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@H](C)C(C)C)c1 ZINC000036065579 569085824 /nfs/dbraw/zinc/08/58/24/569085824.db2.gz CWUOKTSRRZXXCB-QGZVFWFLSA-N 1 1 411.502 4.253 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036095758 569090100 /nfs/dbraw/zinc/09/01/00/569090100.db2.gz JDTYBGMLYBSYNJ-XMMPIXPASA-N 1 1 421.537 4.284 50 0 HIAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@@H](O)COc2ccccc2C)c1OC ZINC000036097302 569090309 /nfs/dbraw/zinc/09/03/09/569090309.db2.gz ALYZNTDKURYIGJ-OAQYLSRUSA-N 1 1 401.547 4.300 50 0 HIAAMO COc1cccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098244 569090730 /nfs/dbraw/zinc/09/07/30/569090730.db2.gz GUZZJIMRIJYESY-LJQANCHMSA-N 1 1 401.890 4.384 50 0 HIAAMO COc1cccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)c1 ZINC000036098244 569090728 /nfs/dbraw/zinc/09/07/28/569090728.db2.gz GUZZJIMRIJYESY-LJQANCHMSA-N 1 1 401.890 4.384 50 0 HIAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccs1)Cc1ccc2c(c1)OCO2 ZINC000036103486 569092098 /nfs/dbraw/zinc/09/20/98/569092098.db2.gz JHAXHMIDUVXTQT-IBGZPJMESA-N 1 1 411.523 4.227 50 0 HIAAMO Cc1ccc(C)c(C(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801119 569096887 /nfs/dbraw/zinc/09/68/87/569096887.db2.gz GJYKZBPLHIFIBE-UHFFFAOYSA-N 1 1 417.513 4.234 50 0 HIAAMO CC(C)Cn1cc(NC(=O)NCCC[N@@H+](C)C2CCCCC2)c2ccccc2c1=O ZINC000006724983 569100863 /nfs/dbraw/zinc/10/08/63/569100863.db2.gz MUZBTNPHQHHLIW-UHFFFAOYSA-N 1 1 412.578 4.434 50 0 HIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O ZINC000006771919 569117253 /nfs/dbraw/zinc/11/72/53/569117253.db2.gz JLBPNQLAUPVKEZ-INIZCTEOSA-N 1 1 411.571 4.138 50 0 HIAAMO CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036249912 569119144 /nfs/dbraw/zinc/11/91/44/569119144.db2.gz IOPSWJJAAVNASF-NRFANRHFSA-N 1 1 417.594 4.432 50 0 HIAAMO COc1cccc(C[N@@H+](C[C@@H](O)c2ccccc2)C[C@@H]2CC(c3ccccc3)=NO2)c1 ZINC000169679006 569126520 /nfs/dbraw/zinc/12/65/20/569126520.db2.gz PEQQXODKAOKJSP-AZGAKELHSA-N 1 1 416.521 4.424 50 0 HIAAMO COc1cccc(C[N@@H+]2CCc3c(cc(C(=O)Nc4ccc(C)cc4C)n3C)C2)c1 ZINC000065210966 569196327 /nfs/dbraw/zinc/19/63/27/569196327.db2.gz RYHSVKLPGFYHGW-UHFFFAOYSA-N 1 1 403.526 4.461 50 0 HIAAMO COc1cccc(C[N@H+]2CCc3c(cc(C(=O)Nc4ccc(C)cc4C)n3C)C2)c1 ZINC000065210966 569196328 /nfs/dbraw/zinc/19/63/28/569196328.db2.gz RYHSVKLPGFYHGW-UHFFFAOYSA-N 1 1 403.526 4.461 50 0 HIAAMO CCCn1c(C[NH+]2CCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000065322480 569224712 /nfs/dbraw/zinc/22/47/12/569224712.db2.gz VQCNXQWQMRYMCA-UHFFFAOYSA-N 1 1 406.530 4.368 50 0 HIAAMO CC[N@H+](CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)Cc1ccccc1 ZINC000007445209 569239240 /nfs/dbraw/zinc/23/92/40/569239240.db2.gz TYRJZYCQYDPXSK-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO CC[N@@H+](CC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)Cc1ccccc1 ZINC000007445209 569239241 /nfs/dbraw/zinc/23/92/41/569239241.db2.gz TYRJZYCQYDPXSK-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037224339 569240825 /nfs/dbraw/zinc/24/08/25/569240825.db2.gz ONWFXIKSZHVSJA-CVEARBPZSA-N 1 1 415.921 4.026 50 0 HIAAMO COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000037224339 569240826 /nfs/dbraw/zinc/24/08/26/569240826.db2.gz ONWFXIKSZHVSJA-CVEARBPZSA-N 1 1 415.921 4.026 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000170613535 569246869 /nfs/dbraw/zinc/24/68/69/569246869.db2.gz IFBCSZDQJPTZEC-GMAHTHKFSA-N 1 1 416.521 4.454 50 0 HIAAMO Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000089677702 569262347 /nfs/dbraw/zinc/26/23/47/569262347.db2.gz CCJYJEWOHZLMLR-IBGZPJMESA-N 1 1 403.526 4.149 50 0 HIAAMO Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CC=C(c3c[nH]c4ccccc43)CC2)c1 ZINC000089677702 569262348 /nfs/dbraw/zinc/26/23/48/569262348.db2.gz CCJYJEWOHZLMLR-IBGZPJMESA-N 1 1 403.526 4.149 50 0 HIAAMO CCC(CC)(CNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1)C(=O)OC ZINC000089943027 569269393 /nfs/dbraw/zinc/26/93/93/569269393.db2.gz BOBXPYYGAGBCLM-UHFFFAOYSA-N 1 1 400.523 4.156 50 0 HIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000017012323 569271582 /nfs/dbraw/zinc/27/15/82/569271582.db2.gz KAJWLKUDINRJLC-UHFFFAOYSA-N 1 1 407.905 4.144 50 0 HIAAMO Cc1cc(N(C)C)ccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000252517092 569292253 /nfs/dbraw/zinc/29/22/53/569292253.db2.gz ZMFPORHBLOOTLD-RBUKOAKNSA-N 1 1 405.464 4.310 50 0 HIAAMO C[N@@H+](Cc1ccc(Br)cc1)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000027295599 569293030 /nfs/dbraw/zinc/29/30/30/569293030.db2.gz CZVJFJUCFFCURW-UHFFFAOYSA-N 1 1 415.253 4.373 50 0 HIAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007855999 569314755 /nfs/dbraw/zinc/31/47/55/569314755.db2.gz VXWXFIASVSLZNO-PXNSSMCTSA-N 1 1 408.571 4.178 50 0 HIAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000007855999 569314757 /nfs/dbraw/zinc/31/47/57/569314757.db2.gz VXWXFIASVSLZNO-PXNSSMCTSA-N 1 1 408.571 4.178 50 0 HIAAMO Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000248043970 569316072 /nfs/dbraw/zinc/31/60/72/569316072.db2.gz UMSCLUYUTVOITQ-QHCPKHFHSA-N 1 1 415.541 4.026 50 0 HIAAMO CCC[C@H]1CN(Cc2cccc(NC(C)=O)c2)CC[N@H+]1Cc1cccc(NC(C)=O)c1 ZINC000079058946 569426179 /nfs/dbraw/zinc/42/61/79/569426179.db2.gz NTBZHLWTPXRUHV-VWLOTQADSA-N 1 1 422.573 4.090 50 0 HIAAMO CCC[C@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)CCN1Cc1cccc(NC(C)=O)c1 ZINC000079058946 569426180 /nfs/dbraw/zinc/42/61/80/569426180.db2.gz NTBZHLWTPXRUHV-VWLOTQADSA-N 1 1 422.573 4.090 50 0 HIAAMO CCC[C@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)CCN1Cc1cccc(NC(C)=O)c1 ZINC000079058946 569426181 /nfs/dbraw/zinc/42/61/81/569426181.db2.gz NTBZHLWTPXRUHV-VWLOTQADSA-N 1 1 422.573 4.090 50 0 HIAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1C[NH+]1CCN(c2ccccc2)CC1 ZINC000019793637 569430017 /nfs/dbraw/zinc/43/00/17/569430017.db2.gz GEHIYUCMDIIKFG-UHFFFAOYSA-N 1 1 405.542 4.194 50 0 HIAAMO CCN(CC)c1ccc2[nH]c(C)c(C[NH+]3CCN(Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793495 569430096 /nfs/dbraw/zinc/43/00/96/569430096.db2.gz YSBLOURWCVWEQF-UHFFFAOYSA-N 1 1 418.585 4.001 50 0 HIAAMO CCN(CC)c1ccc2[nH]c(C)c(CN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019793495 569430098 /nfs/dbraw/zinc/43/00/98/569430098.db2.gz YSBLOURWCVWEQF-UHFFFAOYSA-N 1 1 418.585 4.001 50 0 HIAAMO COc1ccc(-c2nc(CN3CC[NH+](Cc4ccccc4)CC3)cs2)c(OC)c1 ZINC000039978272 571135635 /nfs/dbraw/zinc/13/56/35/571135635.db2.gz QWUAKCKCKOJAAG-UHFFFAOYSA-N 1 1 409.555 4.145 50 0 HIAAMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040071661 571152270 /nfs/dbraw/zinc/15/22/70/571152270.db2.gz BXDQYPIPXHDBGE-MRXNPFEDSA-N 1 1 421.463 4.055 50 0 HIAAMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040071661 571152272 /nfs/dbraw/zinc/15/22/72/571152272.db2.gz BXDQYPIPXHDBGE-MRXNPFEDSA-N 1 1 421.463 4.055 50 0 HIAAMO C[C@H](C(=O)Nc1ccc2ccccc2c1)[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000009050159 571216051 /nfs/dbraw/zinc/21/60/51/571216051.db2.gz YLNDBOXZXFDVDC-LJQANCHMSA-N 1 1 407.558 4.281 50 0 HIAAMO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc21 ZINC000245327981 571225367 /nfs/dbraw/zinc/22/53/67/571225367.db2.gz MHNOAWVWPPNNEH-VQTJNVASSA-N 1 1 408.590 4.465 50 0 HIAAMO CC[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2ccc(OC)cc2)C1 ZINC000009151113 571230243 /nfs/dbraw/zinc/23/02/43/571230243.db2.gz CHGIGZCILCCERS-UHFFFAOYSA-N 1 1 410.543 4.247 50 0 HIAAMO COc1cc2c(Cc3ccc4c(c3)OCO4)ncc([C@@H]3CCC[N@H+]3C)c2cc1OC ZINC000005140820 845084159 /nfs/dbraw/zinc/08/41/59/845084159.db2.gz XISGRFQSYRKPNQ-FQEVSTJZSA-N 1 1 406.482 4.338 50 0 HIAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4nc(-c5ccccc5)no4)C3)C2)cc1 ZINC000011842658 845838247 /nfs/dbraw/zinc/83/82/47/845838247.db2.gz UZQVVBJWSJYGHH-XMMPIXPASA-N 1 1 406.505 4.364 50 0 HIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc1 ZINC000011935932 845842217 /nfs/dbraw/zinc/84/22/17/845842217.db2.gz VZMARWKGSCRKOZ-HXUWFJFHSA-N 1 1 404.514 4.326 50 0 HIAAMO CN(Cc1cscn1)C(=O)[C@@H]1CC12CC[NH+](Cc1c(F)cccc1Cl)CC2 ZINC000011995811 845846938 /nfs/dbraw/zinc/84/69/38/845846938.db2.gz PZPLTUCCLZWRND-INIZCTEOSA-N 1 1 407.942 4.196 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2sc(C(=O)N(C)C3CCCCC3)c(C)c21 ZINC000012190538 845858615 /nfs/dbraw/zinc/85/86/15/845858615.db2.gz ROYZANFQXVTZLG-QGZVFWFLSA-N 1 1 415.607 4.301 50 0 HIAAMO COc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c2ccccc2n1 ZINC000012314117 845866856 /nfs/dbraw/zinc/86/68/56/845866856.db2.gz MAQPWSDINPGCLT-FQEVSTJZSA-N 1 1 403.526 4.023 50 0 HIAAMO CC(C)c1cc(C[NH+]2CCC(n3nccc3NC(=O)CCc3ccccc3)CC2)[nH]n1 ZINC000012306106 845867204 /nfs/dbraw/zinc/86/72/04/845867204.db2.gz MZZACFIAEUVVDW-UHFFFAOYSA-N 1 1 420.561 4.138 50 0 HIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccccc1N(C)C ZINC000012308537 845867270 /nfs/dbraw/zinc/86/72/70/845867270.db2.gz SNAMSBKDEHKKQT-OAQYLSRUSA-N 1 1 411.565 4.309 50 0 HIAAMO O=C(c1cn(C2CCCCC2)nn1)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000012373460 845868267 /nfs/dbraw/zinc/86/82/67/845868267.db2.gz 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50 0 HIAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cn(C)c2ccccc12 ZINC000012434623 558408623 /nfs/dbraw/zinc/40/86/23/558408623.db2.gz MOELUZHLPAJFFC-HXUWFJFHSA-N 1 1 407.533 4.344 50 0 HIAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012439198 558410529 /nfs/dbraw/zinc/41/05/29/558410529.db2.gz BPYXJROZRBEAON-QHCPKHFHSA-N 1 1 415.555 4.347 50 0 HIAAMO CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012439198 558410532 /nfs/dbraw/zinc/41/05/32/558410532.db2.gz BPYXJROZRBEAON-QHCPKHFHSA-N 1 1 415.555 4.347 50 0 HIAAMO c1cncc([C@@H]2CCCC[N@@H+]2CCc2nc3c4c5c(sc4ncn3n2)CCCC5)c1 ZINC000020841377 558417354 /nfs/dbraw/zinc/41/73/54/558417354.db2.gz NRESCKSPZJRFBF-SFHVURJKSA-N 1 1 418.570 4.383 50 0 HIAAMO CN(C(=O)/C=C/c1nc2ccccc2s1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012465795 558420439 /nfs/dbraw/zinc/42/04/39/558420439.db2.gz PASRBAWEDYJUOL-DRUFCSCSSA-N 1 1 417.578 4.400 50 0 HIAAMO 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ZINC000012704111 558448930 /nfs/dbraw/zinc/44/89/30/558448930.db2.gz DRORMVAPKLXNHJ-QGZVFWFLSA-N 1 1 403.906 4.461 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)cc(OC)c1OC ZINC000012704111 558448932 /nfs/dbraw/zinc/44/89/32/558448932.db2.gz DRORMVAPKLXNHJ-QGZVFWFLSA-N 1 1 403.906 4.461 50 0 HIAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012712102 558453358 /nfs/dbraw/zinc/45/33/58/558453358.db2.gz KEZBBIXDDVKHRC-QFIPXVFZSA-N 1 1 415.533 4.404 50 0 HIAAMO OC[C@@]1(CCOc2ccccc2)CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000012747521 558458341 /nfs/dbraw/zinc/45/83/41/558458341.db2.gz JZQZGGCKFPQMAF-JOCHJYFZSA-N 1 1 403.906 4.112 50 0 HIAAMO OC[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000012747521 558458343 /nfs/dbraw/zinc/45/83/43/558458343.db2.gz JZQZGGCKFPQMAF-JOCHJYFZSA-N 1 1 403.906 4.112 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)CSc1ccccc1 ZINC000012755707 558459997 /nfs/dbraw/zinc/45/99/97/558459997.db2.gz FKNNOEYULUJQSN-FQEVSTJZSA-N 1 1 400.563 4.331 50 0 HIAAMO CC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000022437609 558489724 /nfs/dbraw/zinc/48/97/24/558489724.db2.gz YWATUTLSDKJTRC-OAQYLSRUSA-N 1 1 401.938 4.123 50 0 HIAAMO Cn1c2c(c3c1CC[N@@H+](C)[C@@H]3c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)N(C)CC2 ZINC000013110723 558515399 /nfs/dbraw/zinc/51/53/99/558515399.db2.gz AWJNVDVMXBWHKB-JWQCQUIFSA-N 1 1 407.508 4.458 50 0 HIAAMO CCN1CC[NH+](C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860260 558517458 /nfs/dbraw/zinc/51/74/58/558517458.db2.gz DCAZNNZZFVUJFM-OAQYLSRUSA-N 1 1 423.384 4.098 50 0 HIAAMO O=C(CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccc(Cl)cc1F ZINC000022930721 558524264 /nfs/dbraw/zinc/52/42/64/558524264.db2.gz VNZXTKZNZYTXNI-UHFFFAOYSA-N 1 1 416.349 4.340 50 0 HIAAMO CCc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1ccc(C)cc1 ZINC000023108593 558534527 /nfs/dbraw/zinc/53/45/27/558534527.db2.gz RQGLWIXSJGBGEY-JOCHJYFZSA-N 1 1 406.530 4.293 50 0 HIAAMO CCc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1ccc(C)cc1 ZINC000023108596 558534616 /nfs/dbraw/zinc/53/46/16/558534616.db2.gz RQGLWIXSJGBGEY-QFIPXVFZSA-N 1 1 406.530 4.293 50 0 HIAAMO O=C(c1nc2sccn2c1C[N@H+]1CC[C@@H](C2CCCCC2)C1)N1CCCCC1 ZINC000023338313 558549968 /nfs/dbraw/zinc/54/99/68/558549968.db2.gz ARWCCCZXYDWAAA-GOSISDBHSA-N 1 1 400.592 4.424 50 0 HIAAMO CC(=O)c1cc2c(cc1NC(=O)C[NH2+][C@H](c1cccs1)c1ccc(C)cc1)OCO2 ZINC000024978418 558624050 /nfs/dbraw/zinc/62/40/50/558624050.db2.gz LSMQQOZWSOXLKJ-QHCPKHFHSA-N 1 1 422.506 4.306 50 0 HIAAMO O=C(COc1cccc(Oc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025326062 558637927 /nfs/dbraw/zinc/63/79/27/558637927.db2.gz UKDQDXKVPCXLJH-UHFFFAOYSA-N 1 1 402.494 4.202 50 0 HIAAMO c1ccc(C[N@@H+]2CCO[C@@H](CNc3nc(-c4cccnc4)nc4ccccc43)C2)cc1 ZINC000025777682 558649484 /nfs/dbraw/zinc/64/94/84/558649484.db2.gz CNRWLUCTKYHSKB-NRFANRHFSA-N 1 1 411.509 4.005 50 0 HIAAMO c1ccc(C[N@H+]2CCO[C@@H](CNc3nc(-c4cccnc4)nc4ccccc43)C2)cc1 ZINC000025777682 558649485 /nfs/dbraw/zinc/64/94/85/558649485.db2.gz CNRWLUCTKYHSKB-NRFANRHFSA-N 1 1 411.509 4.005 50 0 HIAAMO CCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)o1 ZINC000014949973 558680745 /nfs/dbraw/zinc/68/07/45/558680745.db2.gz LBJJSPIKWQBZRZ-GOSISDBHSA-N 1 1 414.546 4.168 50 0 HIAAMO CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 ZINC000014951553 558681318 /nfs/dbraw/zinc/68/13/18/558681318.db2.gz PAMDDSIINGTGJC-XMMPIXPASA-N 1 1 415.537 4.204 50 0 HIAAMO COc1ccccc1/C=C/C[N@@H+]1CCC(=O)N(Cc2ccccc2C(F)(F)F)CC1 ZINC000014965494 558685687 /nfs/dbraw/zinc/68/56/87/558685687.db2.gz DSTCPZYIPITDRA-RMKNXTFCSA-N 1 1 418.459 4.462 50 0 HIAAMO Cc1cccc(-n2cc(C[N@H+](C[C@@H]3CCC(=O)N3)C(C)C)c(-c3cccc(F)c3)n2)c1 ZINC000014974718 558688756 /nfs/dbraw/zinc/68/87/56/558688756.db2.gz HNGLTBBVRDPYAL-QFIPXVFZSA-N 1 1 420.532 4.476 50 0 HIAAMO Cn1c(SCc2ccccc2)nnc1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000015000910 558697826 /nfs/dbraw/zinc/69/78/26/558697826.db2.gz ZLCMLCKMSDMXKD-IBGZPJMESA-N 1 1 422.554 4.216 50 0 HIAAMO C[N@@H+](Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)CC1CCCCC1 ZINC000015001266 558697889 /nfs/dbraw/zinc/69/78/89/558697889.db2.gz DONMXLZFXMRPTM-UHFFFAOYSA-N 1 1 408.999 4.407 50 0 HIAAMO C[N@H+](Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)CC1CCCCC1 ZINC000015001266 558697891 /nfs/dbraw/zinc/69/78/91/558697891.db2.gz DONMXLZFXMRPTM-UHFFFAOYSA-N 1 1 408.999 4.407 50 0 HIAAMO Cc1cc(C)n(-c2cccc(C(=O)N(C)[C@@H]3CCC[N@@H+](CCc4ccccc4)C3)c2)n1 ZINC000015063769 558706461 /nfs/dbraw/zinc/70/64/61/558706461.db2.gz NKUARYVOLNUZFH-RUZDIDTESA-N 1 1 416.569 4.268 50 0 HIAAMO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccccc1Cl ZINC000029045559 558708749 /nfs/dbraw/zinc/70/87/49/558708749.db2.gz DDLFWSFVMYLLAK-KRWDZBQOSA-N 1 1 400.935 4.221 50 0 HIAAMO Clc1cccc(-c2noc(CN3CCC([N@H+]4CCc5ccccc5C4)CC3)n2)c1 ZINC000015073894 558714789 /nfs/dbraw/zinc/71/47/89/558714789.db2.gz SCRKPVQRMHCKLG-UHFFFAOYSA-N 1 1 408.933 4.413 50 0 HIAAMO COc1ccc([C@H]([NH2+]CC(=O)NCc2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000060089082 558728204 /nfs/dbraw/zinc/72/82/04/558728204.db2.gz BJCKEFLUQGCEOO-HSZRJFAPSA-N 1 1 412.892 4.483 50 0 HIAAMO CC(=O)Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000015344496 558734929 /nfs/dbraw/zinc/73/49/29/558734929.db2.gz QASVMOIGJYQAGO-UHFFFAOYSA-N 1 1 413.521 4.192 50 0 HIAAMO COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCCCC3)no2)cc1 ZINC000015860442 558758218 /nfs/dbraw/zinc/75/82/18/558758218.db2.gz BRSNOERQPKXCQB-FQEVSTJZSA-N 1 1 409.486 4.209 50 0 HIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860506 558758460 /nfs/dbraw/zinc/75/84/60/558758460.db2.gz VHZJZHZEJNXOOD-LJQANCHMSA-N 1 1 408.498 4.206 50 0 HIAAMO CC(=O)Nc1ccc(OC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000060241943 558789536 /nfs/dbraw/zinc/78/95/36/558789536.db2.gz OUNGZDGWKWDZJT-HXUWFJFHSA-N 1 1 406.404 4.005 50 0 HIAAMO C[C@@H](c1nccs1)[N@@H+](C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000039490086 558821664 /nfs/dbraw/zinc/82/16/64/558821664.db2.gz OMPLDYHNBNZCLJ-DZGCQCFKSA-N 1 1 421.950 4.099 50 0 HIAAMO O=C1C[C@@H]([NH+]2CCC(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000018220166 558834006 /nfs/dbraw/zinc/83/40/06/558834006.db2.gz UAKKEZWUWOEYAA-LJQANCHMSA-N 1 1 404.844 4.130 50 0 HIAAMO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC(F)F ZINC000072313555 558840629 /nfs/dbraw/zinc/84/06/29/558840629.db2.gz SUADEJITANATJJ-HNNXBMFYSA-N 1 1 405.445 4.035 50 0 HIAAMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC(F)F ZINC000072313555 558840630 /nfs/dbraw/zinc/84/06/30/558840630.db2.gz SUADEJITANATJJ-HNNXBMFYSA-N 1 1 405.445 4.035 50 0 HIAAMO CC[C@@H]1CCCC[N@H+]1Cc1c(C(=O)N(C)CCc2ccccc2)nc2sccn12 ZINC000019110865 558841709 /nfs/dbraw/zinc/84/17/09/558841709.db2.gz RJPSIUGNNJJLHJ-LJQANCHMSA-N 1 1 410.587 4.475 50 0 HIAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccccc2OC)C3)n1 ZINC000055119268 558872977 /nfs/dbraw/zinc/87/29/77/558872977.db2.gz CHGBUQNISMQXRS-UHFFFAOYSA-N 1 1 406.482 4.169 50 0 HIAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccccc2OC)C3)n1 ZINC000055119268 558872983 /nfs/dbraw/zinc/87/29/83/558872983.db2.gz CHGBUQNISMQXRS-UHFFFAOYSA-N 1 1 406.482 4.169 50 0 HIAAMO CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCC[N@@H+](Cc2cnc(SC)nc2)C1 ZINC000055385097 558880620 /nfs/dbraw/zinc/88/06/20/558880620.db2.gz ROPCZVWOZTVGKQ-BVRWQAIYSA-N 1 1 411.571 4.447 50 0 HIAAMO O=C(C[NH+]1CCC(c2nnc(C3CC3)[nH]2)CC1)N(Cc1ccccc1)c1ccccc1 ZINC000058218190 558912840 /nfs/dbraw/zinc/91/28/40/558912840.db2.gz KSGSTDFKGIIYBM-UHFFFAOYSA-N 1 1 415.541 4.095 50 0 HIAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)C[C@H](C)O1 ZINC000058224453 558913371 /nfs/dbraw/zinc/91/33/71/558913371.db2.gz ANWUSQFGMAREHE-BGYRXZFFSA-N 1 1 408.542 4.440 50 0 HIAAMO COc1ccc([C@@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000058434998 558927154 /nfs/dbraw/zinc/92/71/54/558927154.db2.gz PLDMDBHJGXCTHW-QVKFZJNVSA-N 1 1 424.438 4.466 50 0 HIAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)CC1 ZINC000019637751 558947369 /nfs/dbraw/zinc/94/73/69/558947369.db2.gz WKHLIIHWSNWVII-JOCHJYFZSA-N 1 1 404.533 4.161 50 0 HIAAMO Cc1cc(C)c(NC(=O)CC[N@H+]2CCC[C@@H]2c2nc(-c3ccncc3)no2)c(C)c1 ZINC000065408396 558977436 /nfs/dbraw/zinc/97/74/36/558977436.db2.gz ZUBMJUMOUGIJRP-LJQANCHMSA-N 1 1 405.502 4.223 50 0 HIAAMO Cc1cccc(-c2nc3cc4c(cc3cc2C[N@H+]2CCC[C@@](O)(CO)C2)CCC4)c1 ZINC000072433849 558979607 /nfs/dbraw/zinc/97/96/07/558979607.db2.gz DDTLDTHHJNJSFJ-SANMLTNESA-N 1 1 402.538 4.018 50 0 HIAAMO C[C@@H]1CN(Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC[N@H+]1C ZINC000072454121 558982917 /nfs/dbraw/zinc/98/29/17/558982917.db2.gz UUCVOCBKPDJKKM-LJQANCHMSA-N 1 1 400.526 4.481 50 0 HIAAMO Cc1c(Cl)cccc1NC(=S)N[C@H](C)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031350 558985352 /nfs/dbraw/zinc/98/53/52/558985352.db2.gz XZTFFADPXVZPGM-UTKZUKDTSA-N 1 1 417.022 4.312 50 0 HIAAMO CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022436759 558991869 /nfs/dbraw/zinc/99/18/69/558991869.db2.gz QETALIMGBIVZRH-UHFFFAOYSA-N 1 1 409.574 4.158 50 0 HIAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(C(=O)Nc2cccc(-c3ccco3)c2)CC1 ZINC000067908141 558994590 /nfs/dbraw/zinc/99/45/90/558994590.db2.gz DDRCBSOCZTTZTG-UHFFFAOYSA-N 1 1 412.921 4.493 50 0 HIAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2C)CC1 ZINC000022457033 558995305 /nfs/dbraw/zinc/99/53/05/558995305.db2.gz OKUVWHFEQQYYAB-FXAWDEMLSA-N 1 1 402.633 4.110 50 0 HIAAMO CC(C)CC(=O)N[C@H](C)[C@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181431 559031340 /nfs/dbraw/zinc/03/13/40/559031340.db2.gz MOMOJKDNACVRLR-VGOFRKELSA-N 1 1 403.567 4.301 50 0 HIAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCOc2ccc(O)cc2)cc1 ZINC000072289477 559077552 /nfs/dbraw/zinc/07/75/52/559077552.db2.gz UXYOHAWFVOVROE-QHCPKHFHSA-N 1 1 406.482 4.091 50 0 HIAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCOc2ccc(O)cc2)cc1 ZINC000072289477 559077554 /nfs/dbraw/zinc/07/75/54/559077554.db2.gz UXYOHAWFVOVROE-QHCPKHFHSA-N 1 1 406.482 4.091 50 0 HIAAMO C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000005256886 560550720 /nfs/dbraw/zinc/55/07/20/560550720.db2.gz OHEKWLINBPHQIF-AWEZNQCLSA-N 1 1 409.511 4.232 50 0 HIAAMO Cc1cc(C)cc(NC(=S)N(CCC[NH+]2CCN(C)CC2)Cc2cccs2)c1 ZINC000101215721 560790080 /nfs/dbraw/zinc/79/00/80/560790080.db2.gz VHMKDNJQCVQLEF-UHFFFAOYSA-N 1 1 416.660 4.201 50 0 HIAAMO C[N@H+](Cc1ccccc1)Cc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)nc2[nH]1 ZINC000101747771 560800179 /nfs/dbraw/zinc/80/01/79/560800179.db2.gz MRWFFFRGAVPWFZ-UHFFFAOYSA-N 1 1 401.514 4.014 50 0 HIAAMO COc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000105008144 560859700 /nfs/dbraw/zinc/85/97/00/560859700.db2.gz VXRPAUHUZFFSCH-GAJHUEQPSA-N 1 1 409.505 4.386 50 0 HIAAMO COCCN(C[C@H]1C[N@@H+](Cc2ccc(C)o2)C[C@@H]1c1cccc(F)c1)C(=O)C(C)C ZINC000105050408 560860844 /nfs/dbraw/zinc/86/08/44/560860844.db2.gz XMJZRTUJAVPONG-NFBKMPQASA-N 1 1 416.537 4.074 50 0 HIAAMO C[N@H+]1CCCN(c2ccc(NC(=O)N3CCC[C@@H]3c3ccsc3)cc2F)CC1 ZINC000047561389 560892255 /nfs/dbraw/zinc/89/22/55/560892255.db2.gz LPCNGWRYTYYOKE-LJQANCHMSA-N 1 1 402.539 4.398 50 0 HIAAMO Cc1cc(CSc2ncccc2C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000048240103 568433243 /nfs/dbraw/zinc/43/32/43/568433243.db2.gz PBBSSYUBMFETER-CALCHBBNSA-N 1 1 416.591 4.158 50 0 HIAAMO C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000048289908 568435089 /nfs/dbraw/zinc/43/50/89/568435089.db2.gz MDXZKCQSZQGBJQ-OAHLLOKOSA-N 1 1 418.950 4.209 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000048324374 568438258 /nfs/dbraw/zinc/43/82/58/568438258.db2.gz BCVGLMDMEURYNY-QHCPKHFHSA-N 1 1 422.569 4.322 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CCC(Cc3ccccc3)CC2)cc1OC ZINC000048324374 568438259 /nfs/dbraw/zinc/43/82/59/568438259.db2.gz BCVGLMDMEURYNY-QHCPKHFHSA-N 1 1 422.569 4.322 50 0 HIAAMO COc1ccc(Br)cc1CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000048313568 568439182 /nfs/dbraw/zinc/43/91/82/568439182.db2.gz BHZYJPSNCTUBRJ-LJQANCHMSA-N 1 1 417.347 4.081 50 0 HIAAMO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c1 ZINC000049403322 568448183 /nfs/dbraw/zinc/44/81/83/568448183.db2.gz SLHQTYJSIITZDJ-UHFFFAOYSA-N 1 1 408.477 4.311 50 0 HIAAMO C[NH+]1CCN(C(=S)c2cn(CCOc3ccccc3Cl)c3ccccc23)CC1 ZINC000000638071 568456581 /nfs/dbraw/zinc/45/65/81/568456581.db2.gz YVNLIHXXOFBSAX-UHFFFAOYSA-N 1 1 413.974 4.297 50 0 HIAAMO CCOc1c(Br)cc(Br)cc1CNC[C@@H]1CCC[N@H+]1CC ZINC000022935893 568500865 /nfs/dbraw/zinc/50/08/65/568500865.db2.gz RIVHPPXPQQGEDK-AWEZNQCLSA-N 1 1 420.189 4.184 50 0 HIAAMO CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCN1CC ZINC000022935893 568500866 /nfs/dbraw/zinc/50/08/66/568500866.db2.gz RIVHPPXPQQGEDK-AWEZNQCLSA-N 1 1 420.189 4.184 50 0 HIAAMO O=C(c1ccc2c(Cl)c3c(nc2c1)CCC3)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020331120 568599446 /nfs/dbraw/zinc/59/94/46/568599446.db2.gz MMSNKMXQDIAUGB-UHFFFAOYSA-N 1 1 405.929 4.335 50 0 HIAAMO CCC[C@](O)(c1ccc(OC)cc1)[C@@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020446945 568608541 /nfs/dbraw/zinc/60/85/41/568608541.db2.gz CJQXNOTYNXATLS-GOTSBHOMSA-N 1 1 403.950 4.452 50 0 HIAAMO Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095446457 568612075 /nfs/dbraw/zinc/61/20/75/568612075.db2.gz UGZJUICQOFVDAB-LEWJYISDSA-N 1 1 407.002 4.449 50 0 HIAAMO C[NH+]1CCN(C(=O)CCCc2cn(Cc3ccccc3Cl)c3ccccc23)CC1 ZINC000020490014 568614354 /nfs/dbraw/zinc/61/43/54/568614354.db2.gz KSQRBHDCZHVTEX-UHFFFAOYSA-N 1 1 409.961 4.440 50 0 HIAAMO CN1CC[NH+](CCc2cccc(NC(=O)CCSc3ccc(Cl)cc3)c2)CC1 ZINC000095457791 568618756 /nfs/dbraw/zinc/61/87/56/568618756.db2.gz HUAGSVQOJTZBOC-UHFFFAOYSA-N 1 1 418.006 4.251 50 0 HIAAMO Cc1ccc2c(c1)-c1onc(C(=O)NCC[N@@H+](Cc3ccco3)C3CCCC3)c1CO2 ZINC000020510074 568621039 /nfs/dbraw/zinc/62/10/39/568621039.db2.gz GIAFSYMPMKUZTK-UHFFFAOYSA-N 1 1 421.497 4.310 50 0 HIAAMO CCOc1ccc([C@@](O)(CC)[C@@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868304 568647281 /nfs/dbraw/zinc/64/72/81/568647281.db2.gz JCYLCSPPGUKCDC-GOTSBHOMSA-N 1 1 403.950 4.452 50 0 HIAAMO COc1cc(OC)c(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)cc1Cl ZINC000020889893 568647643 /nfs/dbraw/zinc/64/76/43/568647643.db2.gz FMUNXLUQSCLFIJ-QGZVFWFLSA-N 1 1 417.937 4.309 50 0 HIAAMO CO[C@H](C[NH+]1CCN(Cc2ccc(Br)cn2)CC1)c1ccc(Cl)cc1 ZINC000225772225 568673391 /nfs/dbraw/zinc/67/33/91/568673391.db2.gz IIOVMYIYGDOAHI-LJQANCHMSA-N 1 1 424.770 4.003 50 0 HIAAMO COc1ccc(CCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cc1 ZINC000012387583 568681698 /nfs/dbraw/zinc/68/16/98/568681698.db2.gz WUPQIHZXSQHRAO-SANMLTNESA-N 1 1 406.570 4.185 50 0 HIAAMO Cc1ccccc1N1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000014185079 568719656 /nfs/dbraw/zinc/71/96/56/568719656.db2.gz SXPGLWIDSRWUPR-VQIMIIECSA-N 1 1 405.523 4.116 50 0 HIAAMO Cc1ccccc1N1C(=O)C[C@@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000014185079 568719657 /nfs/dbraw/zinc/71/96/57/568719657.db2.gz SXPGLWIDSRWUPR-VQIMIIECSA-N 1 1 405.523 4.116 50 0 HIAAMO Fc1ccc(Cn2nc(C[NH2+]Cc3ccc4c(c3)OCO4)c(-c3ccccc3)n2)cc1 ZINC000247556976 568745388 /nfs/dbraw/zinc/74/53/88/568745388.db2.gz XORXDJSXLJVJAN-UHFFFAOYSA-N 1 1 416.456 4.151 50 0 HIAAMO CC(C)N(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1 ZINC000248004412 568746973 /nfs/dbraw/zinc/74/69/73/568746973.db2.gz OGAKJXJCPWXWMI-UHFFFAOYSA-N 1 1 408.521 4.243 50 0 HIAAMO CCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247986580 568747045 /nfs/dbraw/zinc/74/70/45/568747045.db2.gz KRJZNRRUNWRSNK-SFHVURJKSA-N 1 1 408.521 4.245 50 0 HIAAMO CCn1c(C[NH+]2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC000249690310 568748651 /nfs/dbraw/zinc/74/86/51/568748651.db2.gz KIYJAMXPKZFUPR-UHFFFAOYSA-N 1 1 424.976 4.281 50 0 HIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3cccc(F)c3)cc2)[nH+]1 ZINC000021795584 568753784 /nfs/dbraw/zinc/75/37/84/568753784.db2.gz AVZMEFGNYITWBW-UHFFFAOYSA-N 1 1 422.464 4.148 50 0 HIAAMO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022038564 568764285 /nfs/dbraw/zinc/76/42/85/568764285.db2.gz LTIQXNWQFWRYDQ-KRWDZBQOSA-N 1 1 408.995 4.082 50 0 HIAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000022460565 568768582 /nfs/dbraw/zinc/76/85/82/568768582.db2.gz OGKMVRDUDFZFSR-BEFAXECRSA-N 1 1 423.051 4.455 50 0 HIAAMO O=C(Cc1ccc(Br)cc1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225689304 568779050 /nfs/dbraw/zinc/77/90/50/568779050.db2.gz ZNPXXTUQCBXHAY-UHFFFAOYSA-N 1 1 419.388 4.102 50 0 HIAAMO C[N@@H+](CCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1)C1CCCCC1 ZINC000015774009 568919792 /nfs/dbraw/zinc/91/97/92/568919792.db2.gz DMSHRYBECIZLFZ-XMMPIXPASA-N 1 1 419.569 4.029 50 0 HIAAMO CC(C)[C@H]([NH2+][C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000012750189 568937691 /nfs/dbraw/zinc/93/76/91/568937691.db2.gz LENYHWJIUMMXAF-ZEQRLZLVSA-N 1 1 408.542 4.498 50 0 HIAAMO CC(C)[C@@H]([NH2+][C@@H](C(=O)N1CCCC1)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000012750172 568937852 /nfs/dbraw/zinc/93/78/52/568937852.db2.gz LENYHWJIUMMXAF-DNQXCXABSA-N 1 1 408.542 4.498 50 0 HIAAMO C[NH+](C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1Cl ZINC000012804025 568979599 /nfs/dbraw/zinc/97/95/99/568979599.db2.gz UKGHBCUMSFVKLD-IBGZPJMESA-N 1 1 415.896 4.486 50 0 HIAAMO COc1ccc([C@H](CNC(=O)c2sc(-c3ccccn3)nc2C)[NH+]2CCCC2)cc1 ZINC000008280227 568987524 /nfs/dbraw/zinc/98/75/24/568987524.db2.gz LTDNIDHNYKJZQJ-FQEVSTJZSA-N 1 1 422.554 4.089 50 0 HIAAMO Cc1nc2cc(NC(=O)C3CC[NH+](Cc4nc5ccccc5[nH]4)CC3)ccc2s1 ZINC000038489485 568997764 /nfs/dbraw/zinc/99/77/64/568997764.db2.gz PYCVDYXJIXGJRL-UHFFFAOYSA-N 1 1 405.527 4.332 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000012953628 569029690 /nfs/dbraw/zinc/02/96/90/569029690.db2.gz BNYJXLQSLRNACW-ZDUSSCGKSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000012953628 569029691 /nfs/dbraw/zinc/02/96/91/569029691.db2.gz BNYJXLQSLRNACW-ZDUSSCGKSA-N 1 1 404.301 4.206 50 0 HIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000524730532 569051649 /nfs/dbraw/zinc/05/16/49/569051649.db2.gz MDEUSTZAXWTZGX-XUZZJYLKSA-N 1 1 411.590 4.230 50 0 HIAAMO CC(C)c1ccc([C@H]([NH2+]CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c2cccs2)cc1 ZINC000053517390 569053384 /nfs/dbraw/zinc/05/33/84/569053384.db2.gz YDZWUXWATGMTGE-QFIPXVFZSA-N 1 1 420.538 4.359 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccccc2OC)cc1 ZINC000245311629 569055711 /nfs/dbraw/zinc/05/57/11/569055711.db2.gz PEVVHERVOUVHQU-FTBPSBKWSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccccc2OC)cc1 ZINC000245311629 569055712 /nfs/dbraw/zinc/05/57/12/569055712.db2.gz PEVVHERVOUVHQU-FTBPSBKWSA-N 1 1 424.541 4.011 50 0 HIAAMO CCCC[N@H+]1CCCN(c2nc(CC(C)C)nc3c2cnn3-c2ccccc2)CC1 ZINC000035925700 569066381 /nfs/dbraw/zinc/06/63/81/569066381.db2.gz USROYNLVULDKBR-UHFFFAOYSA-N 1 1 406.578 4.326 50 0 HIAAMO C[N@H+](CCOc1ccc(Br)cc1)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000006602858 569070270 /nfs/dbraw/zinc/07/02/70/569070270.db2.gz YSTRBWIDABGPTL-UHFFFAOYSA-N 1 1 406.255 4.149 50 0 HIAAMO C[N@@H+](CCOc1ccc(Br)cc1)Cc1nnc(-c2ccc(F)cc2)o1 ZINC000006602858 569070271 /nfs/dbraw/zinc/07/02/71/569070271.db2.gz YSTRBWIDABGPTL-UHFFFAOYSA-N 1 1 406.255 4.149 50 0 HIAAMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006640142 569078102 /nfs/dbraw/zinc/07/81/02/569078102.db2.gz AFJKWAFUBHOYKS-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO CCOc1ccc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006640142 569078103 /nfs/dbraw/zinc/07/81/03/569078103.db2.gz AFJKWAFUBHOYKS-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)c2)cs1 ZINC000064669920 569079103 /nfs/dbraw/zinc/07/91/03/569079103.db2.gz PGNBMXMDNOHHKH-UHFFFAOYSA-N 1 1 419.616 4.066 50 0 HIAAMO Cc1ccc(-c2noc(CC[N@H+](Cc3ccco3)C[C@H](O)Cc3ccccc3)n2)cc1 ZINC000036147362 569098585 /nfs/dbraw/zinc/09/85/85/569098585.db2.gz DEDDODFMWLIOAP-JOCHJYFZSA-N 1 1 417.509 4.286 50 0 HIAAMO CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1c(-c2ccccc2)noc1N(C)C(C)C ZINC000036249911 569119238 /nfs/dbraw/zinc/11/92/38/569119238.db2.gz IOPSWJJAAVNASF-OAQYLSRUSA-N 1 1 417.594 4.432 50 0 HIAAMO COc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@@H](c3ccc(F)cc3)C2)c1 ZINC000169679608 569126963 /nfs/dbraw/zinc/12/69/63/569126963.db2.gz VXRPAUHUZFFSCH-UZUQRXQVSA-N 1 1 409.505 4.386 50 0 HIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308234 569130357 /nfs/dbraw/zinc/13/03/57/569130357.db2.gz ZDMBRWPSGVQTEX-NRFANRHFSA-N 1 1 421.541 4.241 50 0 HIAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)C1 ZINC000064968471 569137981 /nfs/dbraw/zinc/13/79/81/569137981.db2.gz RMSNLPMIUVCZCG-QGZVFWFLSA-N 1 1 409.505 4.410 50 0 HIAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000006857638 569155723 /nfs/dbraw/zinc/15/57/23/569155723.db2.gz TZJHZIYOBGMFGD-FQEVSTJZSA-N 1 1 419.506 4.384 50 0 HIAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 ZINC000006857638 569155724 /nfs/dbraw/zinc/15/57/24/569155724.db2.gz TZJHZIYOBGMFGD-FQEVSTJZSA-N 1 1 419.506 4.384 50 0 HIAAMO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000006871910 569162077 /nfs/dbraw/zinc/16/20/77/569162077.db2.gz MVOKZXMQPCOOJP-SPLOXXLWSA-N 1 1 402.922 4.095 50 0 HIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](C)NC(=O)c1cccc(Cl)c1 ZINC000006871910 569162078 /nfs/dbraw/zinc/16/20/78/569162078.db2.gz MVOKZXMQPCOOJP-SPLOXXLWSA-N 1 1 402.922 4.095 50 0 HIAAMO COc1ccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)c(OC)c1 ZINC000006877329 569164090 /nfs/dbraw/zinc/16/40/90/569164090.db2.gz YBZSUXFQGYITMO-UHFFFAOYSA-N 1 1 409.530 4.006 50 0 HIAAMO OC1CCC(Nc2nc(C[NH+]3CCCCC3)nc3sc4c(c32)CCCC4)CC1 ZINC000006904499 569178134 /nfs/dbraw/zinc/17/81/34/569178134.db2.gz AXNCKIVBFJTGJI-UHFFFAOYSA-N 1 1 400.592 4.271 50 0 HIAAMO COCCn1c2ncccc2nc1[C@H]1CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000065285377 569216750 /nfs/dbraw/zinc/21/67/50/569216750.db2.gz IULISINVXLJUSK-INIZCTEOSA-N 1 1 404.436 4.086 50 0 HIAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000007142980 569226312 /nfs/dbraw/zinc/22/63/12/569226312.db2.gz XZXUWSJDBXYPAI-VIICAESSSA-N 1 1 417.553 4.289 50 0 HIAAMO CC(=O)N(c1nc(CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cs1)C1CC1 ZINC000089930392 569269047 /nfs/dbraw/zinc/26/90/47/569269047.db2.gz XXWDKQGCKHEQTP-XZOQPEGZSA-N 1 1 424.614 4.287 50 0 HIAAMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000252452495 569286304 /nfs/dbraw/zinc/28/63/04/569286304.db2.gz LQYLSUJUDQULDL-SRYPRDQNSA-N 1 1 422.573 4.032 50 0 HIAAMO COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000007607234 569295279 /nfs/dbraw/zinc/29/52/79/569295279.db2.gz FYLKDSIFRZWWJM-GFCCVEGCSA-N 1 1 400.372 4.192 50 0 HIAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000007607234 569295281 /nfs/dbraw/zinc/29/52/81/569295281.db2.gz FYLKDSIFRZWWJM-GFCCVEGCSA-N 1 1 400.372 4.192 50 0 HIAAMO COc1ccccc1[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)[NH+](C)C ZINC000007671203 569300083 /nfs/dbraw/zinc/30/00/83/569300083.db2.gz BEAURGMUGJNEDF-FQEVSTJZSA-N 1 1 402.494 4.352 50 0 HIAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1N(C)C(=O)[C@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000002316117 569373087 /nfs/dbraw/zinc/37/30/87/569373087.db2.gz MICCWRBLDGFHLQ-ZDUSSCGKSA-N 1 1 405.926 4.081 50 0 HIAAMO CC[NH+](CC)c1ccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)cc1 ZINC000002325505 569375398 /nfs/dbraw/zinc/37/53/98/569375398.db2.gz FRBWKKDEUMLFGH-UHFFFAOYSA-N 1 1 420.513 4.073 50 0 biogenic HIAAMO C[C@@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000040071805 571152284 /nfs/dbraw/zinc/15/22/84/571152284.db2.gz NKATUSYISKLVCN-JPYJTQIMSA-N 1 1 405.542 4.440 50 0 HIAAMO O=C(CCN1c2ccccc2Sc2ccccc21)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000069292240 571218274 /nfs/dbraw/zinc/21/82/74/571218274.db2.gz UNPBSHZSCHATPD-LJQANCHMSA-N 1 1 423.582 4.003 50 0 HIAAMO O=C(Nc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1)c1cccs1 ZINC000009950745 571291433 /nfs/dbraw/zinc/29/14/33/571291433.db2.gz VRSAXOSAOXEJOF-HXUWFJFHSA-N 1 1 405.523 4.005 50 0 HIAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2-c2ccc3c(c2)OCCO3)c1 ZINC000011879904 845838983 /nfs/dbraw/zinc/83/89/83/845838983.db2.gz IEKSRBAXETWDOO-NRFANRHFSA-N 1 1 405.498 4.204 50 0 HIAAMO Cc1nc(C(=O)NC[C@@H](C)Oc2cccc(C[N@@H+](C)Cc3ccsc3)c2)cs1 ZINC000011910479 845839852 /nfs/dbraw/zinc/83/98/52/845839852.db2.gz IWVZCEKWSCKVMY-OAHLLOKOSA-N 1 1 415.584 4.342 50 0 HIAAMO CCCC[C@@H]1C[N@@H+](CCC(=O)NCCCc2scnc2C)Cc2ccccc2O1 ZINC000011964826 845843981 /nfs/dbraw/zinc/84/39/81/845843981.db2.gz VMXUMIIFHCDACC-HXUWFJFHSA-N 1 1 415.603 4.344 50 0 HIAAMO O=C1N(Cc2cccc(Cl)c2)C[C@@H]2C[C@@H](c3ccc4nsnc4c3)[N@H+]3CCC[C@@]123 ZINC000012432380 845870413 /nfs/dbraw/zinc/87/04/13/845870413.db2.gz IEBDWJNQELBVEB-BUKVSMQUSA-N 1 1 424.957 4.283 50 0 HIAAMO Clc1ccc(-n2cccc2C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)nc1 ZINC000012434880 845870968 /nfs/dbraw/zinc/87/09/68/845870968.db2.gz JNHMFHBDSASAEW-LJQANCHMSA-N 1 1 424.932 4.373 50 0 HIAAMO CN(C(=O)CC[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C)CC1 ZINC000012593875 845878589 /nfs/dbraw/zinc/87/85/89/845878589.db2.gz ABAQRSBNZMHZJL-KRWDZBQOSA-N 1 1 409.977 4.024 50 0 HIAAMO CCOc1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(Cl)c1OC ZINC000012997713 845902590 /nfs/dbraw/zinc/90/25/90/845902590.db2.gz UQBUKVULARJFLF-CTDFXDFQSA-N 1 1 414.933 4.276 50 0 HIAAMO CCOc1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(Cl)c1OC ZINC000012997713 845902596 /nfs/dbraw/zinc/90/25/96/845902596.db2.gz UQBUKVULARJFLF-CTDFXDFQSA-N 1 1 414.933 4.276 50 0 HIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cc1ccc(F)c(F)c1 ZINC000014960028 845995549 /nfs/dbraw/zinc/99/55/49/845995549.db2.gz HDROAFHCFLGECV-FQEVSTJZSA-N 1 1 418.503 4.450 50 0 HIAAMO CSCc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000015065594 846004873 /nfs/dbraw/zinc/00/48/73/846004873.db2.gz PKIOTSXPXJPKGN-QFIPXVFZSA-N 1 1 402.535 4.410 50 0 HIAAMO O=C(c1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)nn1)N1CCCC1 ZINC000020256665 846382681 /nfs/dbraw/zinc/38/26/81/846382681.db2.gz JRCCVCJUBMCWHG-QHCPKHFHSA-N 1 1 415.541 4.018 50 0 HIAAMO Cn1cc(C[NH2+]Cc2cn3cccnc3n2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000020778717 846389169 /nfs/dbraw/zinc/38/91/69/846389169.db2.gz GBIAGEHNGYOTSS-UHFFFAOYSA-N 1 1 400.530 4.467 50 0 HIAAMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)[C@H]1CCC(=O)N(Cc2ccc(F)c(F)c2)CC1 ZINC000023619660 846730831 /nfs/dbraw/zinc/73/08/31/846730831.db2.gz XVDIKNRGTXMFQT-FQEVSTJZSA-N 1 1 424.495 4.164 50 0 HIAAMO CC(=O)Nc1sc2c(c1CN1CC[NH+](C/C=C/c3ccccc3)CC1)CCCC2 ZINC000025538436 846995993 /nfs/dbraw/zinc/99/59/93/846995993.db2.gz VOSWPPLEAVMJBE-JXMROGBWSA-N 1 1 409.599 4.416 50 0 HIAAMO O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000033018782 848100915 /nfs/dbraw/zinc/10/09/15/848100915.db2.gz PEVKUPBDMBMFKA-WWPOYFSUSA-N 1 1 421.368 4.064 50 0 HIAAMO Cc1ccc(CCC[N@@H+]2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)o1 ZINC000169774340 853662526 /nfs/dbraw/zinc/66/25/26/853662526.db2.gz SFLRGHSLKBRWTL-UHFFFAOYSA-N 1 1 422.500 4.484 50 0 HIAAMO Cc1ccc(CCC[N@H+]2CCOc3ccc(C(=O)NCc4ccccc4F)cc3C2)o1 ZINC000169774340 853662531 /nfs/dbraw/zinc/66/25/31/853662531.db2.gz SFLRGHSLKBRWTL-UHFFFAOYSA-N 1 1 422.500 4.484 50 0 HIAAMO O=C(/C=C\c1ccc(OCc2ccccn2)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000229891409 853893477 /nfs/dbraw/zinc/89/34/77/853893477.db2.gz LDALBWYMLKPNAA-LKAWRWRFSA-N 1 1 413.521 4.065 50 0 HIAAMO COc1cccc(C=NN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1O ZINC000254866818 854216090 /nfs/dbraw/zinc/21/60/90/854216090.db2.gz UITQGBLFGUWVDH-UHFFFAOYSA-N 1 1 401.510 4.142 50 0 HIAAMO Cc1nnc([C@@H]2CC3(C[N@@H+]2Cc2ccccc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257181445 854232967 /nfs/dbraw/zinc/23/29/67/854232967.db2.gz FOILSDWZOJOAMQ-QFIPXVFZSA-N 1 1 416.525 4.248 50 0 HIAAMO Cc1nnc([C@@H]2CC3(C[N@H+]2Cc2ccccc2)CCN(C(=O)c2ccccc2)CC3)o1 ZINC000257181445 854232973 /nfs/dbraw/zinc/23/29/73/854232973.db2.gz FOILSDWZOJOAMQ-QFIPXVFZSA-N 1 1 416.525 4.248 50 0 HIAAMO O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@@H+]1Cc1ccccc1)[C@@H]23)N1CCCC1 ZINC000257196364 854235033 /nfs/dbraw/zinc/23/50/33/854235033.db2.gz YCBOEWYILPGZFZ-WSKLTFMVSA-N 1 1 409.618 4.154 50 0 HIAAMO O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](C[N@H+]1Cc1ccccc1)[C@@H]23)N1CCCC1 ZINC000257196364 854235039 /nfs/dbraw/zinc/23/50/39/854235039.db2.gz YCBOEWYILPGZFZ-WSKLTFMVSA-N 1 1 409.618 4.154 50 0 HIAAMO CC[C@H]1C[N@@H+](CCC(=O)N2CCCC[C@@H]2c2ccccn2)Cc2cc(OC)ccc2O1 ZINC000299761682 854281062 /nfs/dbraw/zinc/28/10/62/854281062.db2.gz MXWHHJVCLBFHQK-NZQKXSOJSA-N 1 1 423.557 4.207 50 0 HIAAMO CC(C)[N@H+]1CCc2nc[nH]c2[C@H]1C1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000409419683 855483390 /nfs/dbraw/zinc/48/33/90/855483390.db2.gz FQPDGGUABVRMPL-HXUWFJFHSA-N 1 1 420.479 4.289 50 0 HIAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Br)o2)CC1 ZINC000000624282 132228948 /nfs/dbraw/zinc/22/89/48/132228948.db2.gz PRHPUPZVWXCHHI-UHFFFAOYSA-N 1 1 412.715 4.090 50 0 HIAAMO COc1ccc(C(=O)Nc2ccc(N3CCC([N@H+]4CCC[C@H](OC)C4)CC3)cc2)cc1 ZINC000012243336 132357713 /nfs/dbraw/zinc/35/77/13/132357713.db2.gz BWXUULHKHGRESJ-DEOSSOPVSA-N 1 1 423.557 4.027 50 0 HIAAMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 ZINC000012438656 132360078 /nfs/dbraw/zinc/36/00/78/132360078.db2.gz SCZLHKYQXYGNIK-HSZRJFAPSA-N 1 1 420.601 4.039 50 0 HIAAMO COc1ccc(OCC(=O)NC[C@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022766134 524934968 /nfs/dbraw/zinc/93/49/68/524934968.db2.gz LTOIAUCQVPRVIX-HSZRJFAPSA-N 1 1 422.550 4.051 50 0 HIAAMO COc1ccc(OCC(=O)NC[C@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022766134 524934976 /nfs/dbraw/zinc/93/49/76/524934976.db2.gz LTOIAUCQVPRVIX-HSZRJFAPSA-N 1 1 422.550 4.051 50 0 HIAAMO O=C(CCc1cccc(Cl)c1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000032924201 526600676 /nfs/dbraw/zinc/60/06/76/526600676.db2.gz XRCFMIAMVGJTGW-UHFFFAOYSA-N 1 1 407.341 4.075 50 0 HIAAMO Cc1nc2ccc(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)cc2nc1C ZINC000032841400 527135544 /nfs/dbraw/zinc/13/55/44/527135544.db2.gz ZHZWYJAXAPLOJL-QFIPXVFZSA-N 1 1 408.933 4.467 50 0 HIAAMO O=C(Nc1ccc(OC(F)(F)F)cc1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000044443520 527238714 /nfs/dbraw/zinc/23/87/14/527238714.db2.gz MIVTYNJZFJHPPX-UHFFFAOYSA-N 1 1 418.419 4.312 50 0 HIAAMO Cc1cc(C)cc(C[NH+]2CCN(Cc3nc(C(=O)Nc4cccc(F)c4)co3)CC2)c1 ZINC000034678077 557365949 /nfs/dbraw/zinc/36/59/49/557365949.db2.gz RMTRWPOPFMJCJZ-UHFFFAOYSA-N 1 1 422.504 4.001 50 0 HIAAMO Cc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(F)cc4)cn3)CC2)cc1 ZINC000034681648 557383345 /nfs/dbraw/zinc/38/33/45/557383345.db2.gz DKFGGFUNBDOYEN-UHFFFAOYSA-N 1 1 418.516 4.494 50 0 HIAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1)c1ccc(F)cc1 ZINC000034681662 557383379 /nfs/dbraw/zinc/38/33/79/557383379.db2.gz VSQOZNSQEUQRTI-UHFFFAOYSA-N 1 1 404.489 4.185 50 0 HIAAMO Cc1ccccc1Oc1nc(N2CCCC2)nc2c1C[N@H+](Cc1ccncc1)CC2 ZINC000034755513 557458197 /nfs/dbraw/zinc/45/81/97/557458197.db2.gz AXSPXKKSGPVNBD-UHFFFAOYSA-N 1 1 401.514 4.131 50 0 HIAAMO Cc1ccccc1Oc1nc(N2CCCC2)nc2c1C[N@@H+](Cc1ccncc1)CC2 ZINC000034755513 557458199 /nfs/dbraw/zinc/45/81/99/557458199.db2.gz AXSPXKKSGPVNBD-UHFFFAOYSA-N 1 1 401.514 4.131 50 0 HIAAMO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[N@H+](C)Cc4ccccc4)sc3c2c1 ZINC000004953612 557616822 /nfs/dbraw/zinc/61/68/22/557616822.db2.gz ZXZMGNTZGFSYNO-UHFFFAOYSA-N 1 1 419.550 4.303 50 0 HIAAMO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)sc3c2c1 ZINC000004954245 557617030 /nfs/dbraw/zinc/61/70/30/557617030.db2.gz WOWCYTWKVNXUDA-IYBDPMFKSA-N 1 1 411.571 4.434 50 0 HIAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=[NH+]3)c1 ZINC000002707187 557744104 /nfs/dbraw/zinc/74/41/04/557744104.db2.gz JCDAIFJFHNIPPT-RPWUZVMVSA-N 1 1 408.461 4.499 50 0 HIAAMO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)o1 ZINC000019742119 558262518 /nfs/dbraw/zinc/26/25/18/558262518.db2.gz MYGMLJKBKSJWKW-LJQANCHMSA-N 1 1 406.530 4.148 50 0 HIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011664311 558267895 /nfs/dbraw/zinc/26/78/95/558267895.db2.gz JPXOHOBTWMWGDF-QGZVFWFLSA-N 1 1 407.445 4.039 50 0 HIAAMO Cc1cc(C)c([C@@H]2C[C@H]3CN(C4CCCC4)C(=O)[C@]34CCC[N@@H+]24)c(-n2cccn2)c1 ZINC000011814318 558278507 /nfs/dbraw/zinc/27/85/07/558278507.db2.gz LHAAXZIRWBYRKJ-OWHZGTRUSA-N 1 1 404.558 4.170 50 0 HIAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000019770449 558279454 /nfs/dbraw/zinc/27/94/54/558279454.db2.gz HVNAHHKBCKYEDB-IBGZPJMESA-N 1 1 403.592 4.160 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(F)c1 ZINC000011873975 558291668 /nfs/dbraw/zinc/29/16/68/558291668.db2.gz BNRIYFSWLSQTQO-VWLOTQADSA-N 1 1 420.532 4.215 50 0 HIAAMO O=C(c1ccc2nsnc2c1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019835177 558292471 /nfs/dbraw/zinc/29/24/71/558292471.db2.gz YFZJPKRDMOUIGQ-UHFFFAOYSA-N 1 1 412.518 4.219 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3cc(OC)cc(OC)c3)C2)cc1 ZINC000011878212 558292602 /nfs/dbraw/zinc/29/26/02/558292602.db2.gz YZOJMGVLTXSPDK-NRFANRHFSA-N 1 1 412.574 4.099 50 0 HIAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2ccc(F)c(OC)c2)CC1 ZINC000011879194 558294038 /nfs/dbraw/zinc/29/40/38/558294038.db2.gz ZNFQWIJKEUZYKJ-UHFFFAOYSA-N 1 1 415.505 4.449 50 0 HIAAMO O[C@H](COc1ccc2ccccc2c1Cl)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000019848868 558295156 /nfs/dbraw/zinc/29/51/56/558295156.db2.gz RBFYMGSTKUNESX-FQEVSTJZSA-N 1 1 414.908 4.194 50 0 HIAAMO CN(C(=O)c1ccc(-c2ncc[nH]2)s1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011936749 558300806 /nfs/dbraw/zinc/30/08/06/558300806.db2.gz FEQKHYHHVFAVJU-IBGZPJMESA-N 1 1 408.571 4.307 50 0 HIAAMO Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCC[NH+](C)C)cc1 ZINC000019898485 558304384 /nfs/dbraw/zinc/30/43/84/558304384.db2.gz UMLQPADGTZCPQL-UHFFFAOYSA-N 1 1 419.934 4.110 50 0 HIAAMO COc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C/C=C/c4ccccc4)CC[C@H]32)c(OC)c1 ZINC000011981639 558306018 /nfs/dbraw/zinc/30/60/18/558306018.db2.gz UFMGSPFAFZFTSW-WUIXQLRJSA-N 1 1 420.553 4.344 50 0 HIAAMO Cc1csc(CN(C)Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)n1 ZINC000012051831 558314323 /nfs/dbraw/zinc/31/43/23/558314323.db2.gz GASNRYPJBIHFCV-OAQYLSRUSA-N 1 1 417.619 4.088 50 0 HIAAMO CC(C)c1ccc(C[N@H+]2CCC[C@]3(CCN(C(=O)CCc4cnccn4)C3)C2)cc1 ZINC000012052722 558314663 /nfs/dbraw/zinc/31/46/63/558314663.db2.gz QSOPSUBRLFQWCY-VWLOTQADSA-N 1 1 406.574 4.047 50 0 HIAAMO CCC(C)(C)[C@@H]1CCc2sc3ncnc(NCCC[NH+]4CCOCC4)c3c2C1 ZINC000020134978 558337426 /nfs/dbraw/zinc/33/74/26/558337426.db2.gz JSCQAXXPCGAVOL-MRXNPFEDSA-N 1 1 402.608 4.367 50 0 HIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000012196564 558349842 /nfs/dbraw/zinc/34/98/42/558349842.db2.gz JCAYFPQDTGTLFQ-DEOSSOPVSA-N 1 1 409.505 4.042 50 0 HIAAMO Cc1ccc(C)c(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c1 ZINC000012241957 558360590 /nfs/dbraw/zinc/36/05/90/558360590.db2.gz QCKFBFNESUEUHX-UGKGYDQZSA-N 1 1 422.598 4.440 50 0 HIAAMO Cn1c2ccccc2nc1CN(C[C@@H]1CCCO1)CC1CC[NH+](C2CCCC2)CC1 ZINC000012298069 558368126 /nfs/dbraw/zinc/36/81/26/558368126.db2.gz WWOXUUAFLMBYHZ-QFIPXVFZSA-N 1 1 410.606 4.209 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)cc1OC ZINC000012298085 558368228 /nfs/dbraw/zinc/36/82/28/558368228.db2.gz AEJQGTLJLUZVJG-QGZVFWFLSA-N 1 1 411.527 4.046 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)cc1OC ZINC000012298085 558368229 /nfs/dbraw/zinc/36/82/29/558368229.db2.gz AEJQGTLJLUZVJG-QGZVFWFLSA-N 1 1 411.527 4.046 50 0 HIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)CC1 ZINC000012314009 558377485 /nfs/dbraw/zinc/37/74/85/558377485.db2.gz VHJLPOZSSNYTRV-FQEVSTJZSA-N 1 1 420.553 4.454 50 0 HIAAMO CC(C)Cn1c(C[N@H+](C)C(C2CC2)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000012430772 558405455 /nfs/dbraw/zinc/40/54/55/558405455.db2.gz IODASIJHLBOMSM-UHFFFAOYSA-N 1 1 415.603 4.133 50 0 HIAAMO CC(C)Cn1c(C[N@@H+](C)C(C2CC2)C2CC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000012430772 558405458 /nfs/dbraw/zinc/40/54/58/558405458.db2.gz IODASIJHLBOMSM-UHFFFAOYSA-N 1 1 415.603 4.133 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1)c1cccnc1 ZINC000012441804 558412338 /nfs/dbraw/zinc/41/23/38/558412338.db2.gz POGRSJPRGRDKRR-QHCPKHFHSA-N 1 1 415.537 4.303 50 0 HIAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccc(OCCO)c2)Cc2ccccc2O1 ZINC000020858355 558417597 /nfs/dbraw/zinc/41/75/97/558417597.db2.gz KZJSRGOQQHBOTH-RUZDIDTESA-N 1 1 405.494 4.202 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(C)cc3)C2)c(OC)c1 ZINC000012459539 558418762 /nfs/dbraw/zinc/41/87/62/558418762.db2.gz HKRVDOCVVKDHCI-HXUWFJFHSA-N 1 1 410.558 4.321 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cc(C)c(C)o3)C2)c(OC)c1 ZINC000012577655 558431555 /nfs/dbraw/zinc/43/15/55/558431555.db2.gz GELCWNDADJTUIZ-LJQANCHMSA-N 1 1 414.546 4.222 50 0 HIAAMO O=C(c1cccs1)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012581033 558432631 /nfs/dbraw/zinc/43/26/31/558432631.db2.gz YSYYPLSAORDLNY-HXUWFJFHSA-N 1 1 403.636 4.331 50 0 HIAAMO O=C(c1cccs1)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012581033 558432634 /nfs/dbraw/zinc/43/26/34/558432634.db2.gz YSYYPLSAORDLNY-HXUWFJFHSA-N 1 1 403.636 4.331 50 0 HIAAMO CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C(C)=O)cc3)nc21 ZINC000004359264 558450428 /nfs/dbraw/zinc/45/04/28/558450428.db2.gz BVXYGRVDNJNGGE-UHFFFAOYSA-N 1 1 411.527 4.106 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CC(F)(F)F ZINC000012715907 558455211 /nfs/dbraw/zinc/45/52/11/558455211.db2.gz BVHHJCBVLJAXQJ-HNNXBMFYSA-N 1 1 410.402 4.371 50 0 HIAAMO O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022315017 558477698 /nfs/dbraw/zinc/47/76/98/558477698.db2.gz XQDPUNGVUWKGCC-UHFFFAOYSA-N 1 1 424.504 4.362 50 0 HIAAMO Cc1cccc(OCC[N@H+](C)Cc2cc(=O)oc3cc(Br)ccc23)c1 ZINC000012999572 558499886 /nfs/dbraw/zinc/49/98/86/558499886.db2.gz JSYPOUKDMNHJSM-UHFFFAOYSA-N 1 1 402.288 4.375 50 0 HIAAMO C[C@H](c1nnc(-c2cccs2)o1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022803865 558513520 /nfs/dbraw/zinc/51/35/20/558513520.db2.gz FVGCDIXBPMTQTD-OAHLLOKOSA-N 1 1 418.950 4.209 50 0 HIAAMO O=c1cc(C[NH2+]C(c2ccccc2)c2ccccc2)nc2ccc(Br)cn12 ZINC000013127728 558519398 /nfs/dbraw/zinc/51/93/98/558519398.db2.gz HUNQCMUWZPGHJT-UHFFFAOYSA-N 1 1 420.310 4.336 50 0 HIAAMO c1sc2nc(-c3ccccn3)nc(NCC[NH+]3CCOCC3)c2c1-c1ccccc1 ZINC000023380769 558555275 /nfs/dbraw/zinc/55/52/75/558555275.db2.gz QIGFVGDPPJIWCQ-UHFFFAOYSA-N 1 1 417.538 4.164 50 0 HIAAMO FC(F)(F)c1ccc(NC(=S)N2CCC[N@@H+](CCc3ccncc3)CC2)cc1 ZINC000013692809 558574190 /nfs/dbraw/zinc/57/41/90/558574190.db2.gz PJVDEBRGYYBKLJ-UHFFFAOYSA-N 1 1 408.493 4.048 50 0 HIAAMO C[C@@]1(c2cccc3ccccc32)NC(=O)N(C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023908190 558581145 /nfs/dbraw/zinc/58/11/45/558581145.db2.gz DYMXVEUMUPVQSA-XXBNENTESA-N 1 1 405.523 4.463 50 0 HIAAMO C[C@@]1(c2cccc3ccccc32)NC(=O)N(C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000023908190 558581148 /nfs/dbraw/zinc/58/11/48/558581148.db2.gz DYMXVEUMUPVQSA-XXBNENTESA-N 1 1 405.523 4.463 50 0 HIAAMO COc1ccc(CCNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccccn2)cc1OC ZINC000013732051 558587110 /nfs/dbraw/zinc/58/71/10/558587110.db2.gz AVKMJJSEQCZYHO-UHFFFAOYSA-N 1 1 417.513 4.163 50 0 HIAAMO CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(=O)Nc1ccc(OC)cc1 ZINC000024897312 558619578 /nfs/dbraw/zinc/61/95/78/558619578.db2.gz PDVIDIDZOLTQGQ-UHFFFAOYSA-N 1 1 424.328 4.291 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000014158039 558625939 /nfs/dbraw/zinc/62/59/39/558625939.db2.gz WQKJNAVPBCYJLM-MRXNPFEDSA-N 1 1 423.538 4.276 50 0 HIAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000014158039 558625941 /nfs/dbraw/zinc/62/59/41/558625941.db2.gz WQKJNAVPBCYJLM-MRXNPFEDSA-N 1 1 423.538 4.276 50 0 HIAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CCCCC1)Nc1cccc(C(=O)NC2CC2)c1 ZINC000025044170 558627762 /nfs/dbraw/zinc/62/77/62/558627762.db2.gz SDJGMJQCBLSEOZ-UHFFFAOYSA-N 1 1 423.532 4.491 50 0 HIAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1 ZINC000025048989 558628453 /nfs/dbraw/zinc/62/84/53/558628453.db2.gz CRKOXJBUEYYTNL-NPMXOYFQSA-N 1 1 423.513 4.330 50 0 HIAAMO CC(C)N(c1ccccc1)c1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000025461013 558641761 /nfs/dbraw/zinc/64/17/61/558641761.db2.gz NTLVSJMBOXBDCN-UHFFFAOYSA-N 1 1 412.603 4.242 50 0 HIAAMO C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)c3ccc(N4CCCC4=O)cc3)n2)C1 ZINC000014528606 558655553 /nfs/dbraw/zinc/65/55/53/558655553.db2.gz SNPBEYANYAKQBS-HOTGVXAUSA-N 1 1 412.559 4.000 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)cn1 ZINC000014969749 558687064 /nfs/dbraw/zinc/68/70/64/558687064.db2.gz DVQXVRNSCMEVPJ-INIZCTEOSA-N 1 1 404.942 4.196 50 0 HIAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2nc(Cc3ccccc3)no2)[C@H]2CCCC[C@@H]21 ZINC000014976841 558689480 /nfs/dbraw/zinc/68/94/80/558689480.db2.gz OHZLJIFJIRQVBP-WRALFONMSA-N 1 1 403.526 4.313 50 0 HIAAMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(Cl)c2N2CCOCC2)C1 ZINC000072277761 558703247 /nfs/dbraw/zinc/70/32/47/558703247.db2.gz BFMJEMDCAZXQLS-KRWDZBQOSA-N 1 1 423.001 4.199 50 0 HIAAMO COc1ccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1 ZINC000015063888 558706414 /nfs/dbraw/zinc/70/64/14/558706414.db2.gz YUGDNLDRJVRAPJ-LJQANCHMSA-N 1 1 411.546 4.122 50 0 HIAAMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cccc(-c3cc4ccccc4[nH]3)c2)CC1 ZINC000015064636 558707561 /nfs/dbraw/zinc/70/75/61/558707561.db2.gz AYINVOALNQAVRL-UHFFFAOYSA-N 1 1 413.525 4.419 50 0 HIAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)C1 ZINC000015068689 558711276 /nfs/dbraw/zinc/71/12/76/558711276.db2.gz ATYUHABYIADXDK-NRFANRHFSA-N 1 1 420.557 4.319 50 0 HIAAMO C[N@H+](CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@@H]1CCc2ccccc21 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/nfs/dbraw/zinc/29/81/60/558298160.db2.gz FYGSHZJFMJILMD-UHFFFAOYSA-N 1 1 400.551 4.276 50 0 HIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)Cc1ccc(OC)cc1 ZINC000012049538 558313513 /nfs/dbraw/zinc/31/35/13/558313513.db2.gz XIXOQFJULKQCDT-JOCHJYFZSA-N 1 1 412.549 4.180 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1)c1ccc(-c2ccccc2)cc1 ZINC000012093442 558324753 /nfs/dbraw/zinc/32/47/53/558324753.db2.gz TUNFKGCZDDJPSB-NRFANRHFSA-N 1 1 402.542 4.082 50 0 HIAAMO O=C(NCCCOc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1)[C@@H]1CCCO1 ZINC000012149829 558338551 /nfs/dbraw/zinc/33/85/51/558338551.db2.gz HFDJGLBSFMFEEA-VWLOTQADSA-N 1 1 420.553 4.040 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209574 558347219 /nfs/dbraw/zinc/34/72/19/558347219.db2.gz OWJHANGNMOJGFX-QFIPXVFZSA-N 1 1 418.585 4.472 50 0 HIAAMO Cc1nc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2cccc(F)c2F)C3)s1 ZINC000012224610 558356832 /nfs/dbraw/zinc/35/68/32/558356832.db2.gz YZZNGZZEAPWXFY-NRFANRHFSA-N 1 1 405.514 4.166 50 0 HIAAMO Cc1nc(C)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(F)c2F)C3)s1 ZINC000012224610 558356833 /nfs/dbraw/zinc/35/68/33/558356833.db2.gz YZZNGZZEAPWXFY-NRFANRHFSA-N 1 1 405.514 4.166 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn21 ZINC000020377160 558358793 /nfs/dbraw/zinc/35/87/93/558358793.db2.gz AVZFAPFELNJTEJ-KRWDZBQOSA-N 1 1 401.518 4.016 50 0 HIAAMO C[C@H](NC(=O)c1cccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c1)c1ccccc1 ZINC000020451416 558365799 /nfs/dbraw/zinc/36/57/99/558365799.db2.gz ASMVYMMPTIHPFE-FQEVSTJZSA-N 1 1 421.585 4.115 50 0 HIAAMO O=C(CCc1ccccc1)NC[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000020454328 558368256 /nfs/dbraw/zinc/36/82/56/558368256.db2.gz SUIIKFLFUGBNTI-IBGZPJMESA-N 1 1 402.485 4.249 50 0 HIAAMO Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000020616211 558393014 /nfs/dbraw/zinc/39/30/14/558393014.db2.gz JHRCZANNDFCOJB-UHFFFAOYSA-N 1 1 419.525 4.137 50 0 HIAAMO Cc1ccc(Oc2ncccc2CNC(=O)c2ccc(C[NH+](C)C)o2)c(F)c1F ZINC000012435843 558408767 /nfs/dbraw/zinc/40/87/67/558408767.db2.gz BJJKWWCCGHEUQA-UHFFFAOYSA-N 1 1 401.413 4.045 50 0 HIAAMO C[N@@H+](Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)C[C@H]1CC=CCC1 ZINC000012457040 558417485 /nfs/dbraw/zinc/41/74/85/558417485.db2.gz YPRCELHCKQBTDG-INIZCTEOSA-N 1 1 406.983 4.183 50 0 HIAAMO C[N@H+](Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)C[C@H]1CC=CCC1 ZINC000012457040 558417486 /nfs/dbraw/zinc/41/74/86/558417486.db2.gz YPRCELHCKQBTDG-INIZCTEOSA-N 1 1 406.983 4.183 50 0 HIAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCCCO1 ZINC000012589320 558435015 /nfs/dbraw/zinc/43/50/15/558435015.db2.gz RKYODAQITQCKCD-OAQYLSRUSA-N 1 1 405.498 4.269 50 0 HIAAMO O=C(NCCc1ccccc1)C1CCN(C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000012589109 558435144 /nfs/dbraw/zinc/43/51/44/558435144.db2.gz UGYVEGYSKFBNRR-UHFFFAOYSA-N 1 1 411.634 4.102 50 0 HIAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccn1Cc1ccccc1F)C1CC1 ZINC000004357411 558445680 /nfs/dbraw/zinc/44/56/80/558445680.db2.gz RSLSIIKVCZDYQB-HSZRJFAPSA-N 1 1 408.517 4.388 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccccc4)CC3)nc(C)[nH+]2)cc1 ZINC000021795296 558449566 /nfs/dbraw/zinc/44/95/66/558449566.db2.gz AUVLGTOWMATNHP-UHFFFAOYSA-N 1 1 402.502 4.191 50 0 HIAAMO COc1ccccc1[C@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)[NH+](C)C ZINC000021805349 558450284 /nfs/dbraw/zinc/45/02/84/558450284.db2.gz SJGRQBDPTCRQJS-QFIPXVFZSA-N 1 1 419.525 4.262 50 0 HIAAMO CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCN(CCc3ccccc3F)C2)cc1CO ZINC000012711599 558452749 /nfs/dbraw/zinc/45/27/49/558452749.db2.gz VEUPSVIUFRUMNQ-NRFANRHFSA-N 1 1 414.565 4.103 50 0 HIAAMO CCOc1ccc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)cc1CO ZINC000012711599 558452762 /nfs/dbraw/zinc/45/27/62/558452762.db2.gz VEUPSVIUFRUMNQ-NRFANRHFSA-N 1 1 414.565 4.103 50 0 HIAAMO CCOc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)cc1CO ZINC000012711599 558452764 /nfs/dbraw/zinc/45/27/64/558452764.db2.gz VEUPSVIUFRUMNQ-NRFANRHFSA-N 1 1 414.565 4.103 50 0 HIAAMO O=C(c1cncn1-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021973641 558456873 /nfs/dbraw/zinc/45/68/73/558456873.db2.gz NFVKDYRJIPKUDO-UHFFFAOYSA-N 1 1 422.532 4.420 50 0 HIAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)CSc1ccccc1 ZINC000012755712 558460151 /nfs/dbraw/zinc/46/01/51/558460151.db2.gz FKNNOEYULUJQSN-HXUWFJFHSA-N 1 1 400.563 4.331 50 0 HIAAMO CC(=O)c1cc(C[NH+]2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cs1 ZINC000012758712 558460664 /nfs/dbraw/zinc/46/06/64/558460664.db2.gz BWLAKWOBIJCRTD-UHFFFAOYSA-N 1 1 400.548 4.113 50 0 HIAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(-c2ccccc2Cl)o1 ZINC000022462381 558490885 /nfs/dbraw/zinc/49/08/85/558490885.db2.gz NTRFICADQHCASO-UHFFFAOYSA-N 1 1 402.922 4.365 50 0 HIAAMO c1ccc(-c2[nH]c(-c3ccccc3)c(C[NH+]3CCOCC3)c2CN2CCOCC2)cc1 ZINC000022521206 558494750 /nfs/dbraw/zinc/49/47/50/558494750.db2.gz LLCQFZLAWPZAEJ-UHFFFAOYSA-N 1 1 417.553 4.013 50 0 HIAAMO OCC[NH+]1CCN([C@H]2Cc3ccccc3Sc3c(Cl)c(Cl)ccc32)CC1 ZINC000022867682 558517914 /nfs/dbraw/zinc/51/79/14/558517914.db2.gz YRVXNNBISTZDBA-KRWDZBQOSA-N 1 1 409.382 4.352 50 0 HIAAMO CSc1ccccc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022931049 558524161 /nfs/dbraw/zinc/52/41/61/558524161.db2.gz ZZCOYHUDZLCNHU-UHFFFAOYSA-N 1 1 411.596 4.380 50 0 HIAAMO Cc1ccnn1-c1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000013165395 558525151 /nfs/dbraw/zinc/52/51/51/558525151.db2.gz PQXAMYRNFPAWDS-UHFFFAOYSA-N 1 1 410.521 4.292 50 0 HIAAMO O=C(CC[NH+]1CCOCC1)N1CCc2c3ccccc3[nH]c2[C@H]1c1cccc(Cl)c1 ZINC000013596900 558547393 /nfs/dbraw/zinc/54/73/93/558547393.db2.gz CIWDYMHOQXSHQT-XMMPIXPASA-N 1 1 423.944 4.018 50 0 HIAAMO COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000013758904 558590990 /nfs/dbraw/zinc/59/09/90/558590990.db2.gz QPJHFYHVBGKHGY-QLBJFCOMSA-N 1 1 408.542 4.310 50 0 HIAAMO O=C(Nc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1)c1ccco1 ZINC000010974963 558633986 /nfs/dbraw/zinc/63/39/86/558633986.db2.gz KLLROMZMOZMXRZ-UHFFFAOYSA-N 1 1 421.472 4.019 50 0 HIAAMO O=C(Nc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1)c1ccco1 ZINC000010974963 558633987 /nfs/dbraw/zinc/63/39/87/558633987.db2.gz KLLROMZMOZMXRZ-UHFFFAOYSA-N 1 1 421.472 4.019 50 0 HIAAMO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccccc2)C1 ZINC000014537293 558658788 /nfs/dbraw/zinc/65/87/88/558658788.db2.gz CMNWEUGLOXRTCR-LEWJYISDSA-N 1 1 410.533 4.402 50 0 HIAAMO Cc1cc(F)ccc1NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1 ZINC000014948372 558680353 /nfs/dbraw/zinc/68/03/53/558680353.db2.gz OURBPVDLSMVQQP-IBGZPJMESA-N 1 1 414.521 4.136 50 0 HIAAMO COc1cccc(CN2CC[N@H+]([C@@H](C)Cc3cccc(C(F)(F)F)c3)CCC2=O)c1 ZINC000014961783 558684279 /nfs/dbraw/zinc/68/42/79/558684279.db2.gz KFLPMHHUZYJGKF-KRWDZBQOSA-N 1 1 420.475 4.380 50 0 HIAAMO Cc1ncoc1C(=O)N(C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000014963111 558684798 /nfs/dbraw/zinc/68/47/98/558684798.db2.gz VJLUANJOYHOHCP-QGZVFWFLSA-N 1 1 409.452 4.029 50 0 HIAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@H]1CCCCO1 ZINC000014972531 558688175 /nfs/dbraw/zinc/68/81/75/558688175.db2.gz ILXLHNJEVVYJAK-JOCHJYFZSA-N 1 1 419.525 4.328 50 0 HIAAMO O=C(CCc1cccs1)NCC[N@@H+]1Cc2ccccc2O[C@@H](c2ccccc2)C1 ZINC000014990441 558693977 /nfs/dbraw/zinc/69/39/77/558693977.db2.gz DYDGZGNHYMHJIX-HSZRJFAPSA-N 1 1 406.551 4.433 50 0 HIAAMO CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028288971 558695753 /nfs/dbraw/zinc/69/57/53/558695753.db2.gz LNHGZLAPCBQNKR-GOSISDBHSA-N 1 1 410.539 4.374 50 0 HIAAMO O=C1CC[N@H+](Cc2cccc3ccccc32)CCN1Cc1cc2c(cc1Cl)OCO2 ZINC000015003679 558698523 /nfs/dbraw/zinc/69/85/23/558698523.db2.gz GTVXKOWTGMMHJQ-UHFFFAOYSA-N 1 1 422.912 4.456 50 0 HIAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000015068706 558711161 /nfs/dbraw/zinc/71/11/61/558711161.db2.gz CXXDZTOKEFLCEA-QFIPXVFZSA-N 1 1 416.569 4.207 50 0 HIAAMO Cc1noc(C)c1C[NH+]1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000029585924 558717346 /nfs/dbraw/zinc/71/73/46/558717346.db2.gz LVGYTTLVXBNQOR-UHFFFAOYSA-N 1 1 405.527 4.285 50 0 HIAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCOc2ccc(O)cc2)cc1 ZINC000072289478 558721913 /nfs/dbraw/zinc/72/19/13/558721913.db2.gz UXYOHAWFVOVROE-HSZRJFAPSA-N 1 1 406.482 4.091 50 0 HIAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCOc2ccc(O)cc2)cc1 ZINC000072289478 558721917 /nfs/dbraw/zinc/72/19/17/558721917.db2.gz UXYOHAWFVOVROE-HSZRJFAPSA-N 1 1 406.482 4.091 50 0 HIAAMO Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000030029897 558726348 /nfs/dbraw/zinc/72/63/48/558726348.db2.gz RRPKCRIRRWXZJC-QHCPKHFHSA-N 1 1 419.573 4.077 50 0 HIAAMO Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000030029897 558726351 /nfs/dbraw/zinc/72/63/51/558726351.db2.gz RRPKCRIRRWXZJC-QHCPKHFHSA-N 1 1 419.573 4.077 50 0 HIAAMO CCS[C@@H]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072303491 558755980 /nfs/dbraw/zinc/75/59/80/558755980.db2.gz GLIYGQSVFUSNAY-SCTDSRPQSA-N 1 1 400.510 4.231 50 0 HIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)[NH+]2CCCCC2)o1 ZINC000015860433 558758212 /nfs/dbraw/zinc/75/82/12/558758212.db2.gz VXPMFDQOKNHOHC-LJQANCHMSA-N 1 1 408.498 4.268 50 0 HIAAMO Cc1cccc(NC(=S)N[C@@H](C)[C@H](c2cccs2)N2CC[NH+](C)CC2)c1C ZINC000022941954 558794777 /nfs/dbraw/zinc/79/47/77/558794777.db2.gz JRDUGQVKIFYYIE-FXAWDEMLSA-N 1 1 402.633 4.029 50 0 HIAAMO Cc1cccc(NC(=S)N[C@@H](C)[C@H](c2cccs2)[NH+]2CCN(C)CC2)c1C ZINC000022941954 558794778 /nfs/dbraw/zinc/79/47/78/558794778.db2.gz JRDUGQVKIFYYIE-FXAWDEMLSA-N 1 1 402.633 4.029 50 0 HIAAMO c1[nH]nc(-c2ccc(-c3ccccc3)cc2)c1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000019223746 558852383 /nfs/dbraw/zinc/85/23/83/558852383.db2.gz NTDMIKRMDXESID-UHFFFAOYSA-N 1 1 416.569 4.288 50 0 HIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)n2)c(OC)c1OC ZINC000019227092 558852832 /nfs/dbraw/zinc/85/28/32/558852832.db2.gz QELYFZPENKUXHQ-QGZVFWFLSA-N 1 1 409.486 4.142 50 0 HIAAMO CCn1ccnc1C[NH+]1CCC(CCC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000067983163 558862539 /nfs/dbraw/zinc/86/25/39/558862539.db2.gz DDVQLDIRLHIDJL-UHFFFAOYSA-N 1 1 422.617 4.377 50 0 HIAAMO c1ccc(C[N@@H+]2CCC[C@]3(CCCN(Cc4nc(-c5ccccn5)no4)C3)C2)cc1 ZINC000055198859 558875679 /nfs/dbraw/zinc/87/56/79/558875679.db2.gz XKAYWHFLISPUOD-DEOSSOPVSA-N 1 1 403.530 4.010 50 0 HIAAMO Cc1ccsc1C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000055383515 558880681 /nfs/dbraw/zinc/88/06/81/558880681.db2.gz YZRDVGHHHXBQOM-IBGZPJMESA-N 1 1 403.979 4.137 50 0 HIAAMO COc1ccc(OC)c([C@@H](C)NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000058163623 558906534 /nfs/dbraw/zinc/90/65/34/558906534.db2.gz DDTVUMCHIAIMOI-GOSISDBHSA-N 1 1 403.567 4.062 50 0 HIAAMO C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000058166310 558906964 /nfs/dbraw/zinc/90/69/64/558906964.db2.gz KANCDZUVIJWIAE-UHFFFAOYSA-N 1 1 406.313 4.023 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000072424787 558978907 /nfs/dbraw/zinc/97/89/07/558978907.db2.gz RBEQYYQQGJVPBQ-GOSISDBHSA-N 1 1 408.521 4.131 50 0 HIAAMO C[C@H](NC(=S)Nc1cccc(Cl)c1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031445 558985392 /nfs/dbraw/zinc/98/53/92/558985392.db2.gz GEGIDCCXASQQMS-OXJNMPFZSA-N 1 1 402.995 4.004 50 0 HIAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2ccccc2C)CC1 ZINC000022457037 558995319 /nfs/dbraw/zinc/99/53/19/558995319.db2.gz OKUVWHFEQQYYAB-PXNSSMCTSA-N 1 1 402.633 4.110 50 0 HIAAMO CC(C)CC(=O)N[C@@H](C)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023181435 559031382 /nfs/dbraw/zinc/03/13/82/559031382.db2.gz MOMOJKDNACVRLR-JTSKRJEESA-N 1 1 403.567 4.301 50 0 HIAAMO Cc1ccc(NC(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)[nH+]3)cc2)cc1 ZINC000033318592 559056072 /nfs/dbraw/zinc/05/60/72/559056072.db2.gz FRFACCCHVKIEQG-UHFFFAOYSA-N 1 1 418.501 4.318 50 0 HIAAMO O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199195 559189899 /nfs/dbraw/zinc/18/98/99/559189899.db2.gz WDHMIBFAAGQCCY-VTAPXXACSA-N 1 1 408.571 4.173 50 0 HIAAMO Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)sc3c2c1 ZINC000004950729 559215737 /nfs/dbraw/zinc/21/57/37/559215737.db2.gz XQFQRXKBLWJNGX-IYBDPMFKSA-N 1 1 411.571 4.149 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)c4cc(C)oc4C)C3)C2)c1OC ZINC000011816490 559260368 /nfs/dbraw/zinc/26/03/68/559260368.db2.gz CFCFPMZMLMSGBT-XMMPIXPASA-N 1 1 412.530 4.042 50 0 HIAAMO COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(N3CCC[N@@H+](C)CC3)n2)c1 ZINC000061997357 560564966 /nfs/dbraw/zinc/56/49/66/560564966.db2.gz CIZAOGIXICOIBR-UHFFFAOYSA-N 1 1 415.497 4.102 50 0 HIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000103776584 560844362 /nfs/dbraw/zinc/84/43/62/560844362.db2.gz VUYGIQSPVVCKRS-IEBWSBKVSA-N 1 1 410.461 4.010 50 0 HIAAMO Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000020608078 560885907 /nfs/dbraw/zinc/88/59/07/560885907.db2.gz UMSCLUYUTVOITQ-HSZRJFAPSA-N 1 1 415.541 4.026 50 0 HIAAMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032200 568424639 /nfs/dbraw/zinc/42/46/39/568424639.db2.gz NUMNAVBVRXNLGZ-UHFFFAOYSA-N 1 1 400.523 4.360 50 0 HIAAMO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2nc(C(C)(C)C)sc2n1 ZINC000046032481 568424709 /nfs/dbraw/zinc/42/47/09/568424709.db2.gz AJYFIVQFZNMHDA-UHFFFAOYSA-N 1 1 414.575 4.259 50 0 HIAAMO CCCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032234 568424725 /nfs/dbraw/zinc/42/47/25/568424725.db2.gz DBBMQFUIRKXMTL-UHFFFAOYSA-N 1 1 422.529 4.445 50 0 HIAAMO CCCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032234 568424726 /nfs/dbraw/zinc/42/47/26/568424726.db2.gz DBBMQFUIRKXMTL-UHFFFAOYSA-N 1 1 422.529 4.445 50 0 HIAAMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)CCc2c[nH]c3ccccc23)C[C@H](C)O1 ZINC000048340369 568440276 /nfs/dbraw/zinc/44/02/76/568440276.db2.gz JDQGSFPWFFAMDB-OALUTQOASA-N 1 1 405.542 4.026 50 0 HIAAMO COc1cc2nc(C[NH2+][C@H](C)c3ccc(-c4ccccc4)cc3)[nH]c(=O)c2cc1OC ZINC000049581229 568452858 /nfs/dbraw/zinc/45/28/58/568452858.db2.gz GDTLZKVEMQCPJW-MRXNPFEDSA-N 1 1 415.493 4.458 50 0 HIAAMO COc1ccc([C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(C)C)cc1OC ZINC000604403937 568492286 /nfs/dbraw/zinc/49/22/86/568492286.db2.gz FFHNLCCMOAAXKP-MZKRTTBSSA-N 1 1 417.594 4.307 50 0 HIAAMO CC(=O)N(c1nc(CN2CC[NH+](Cc3ccccc3)CC2)cs1)c1ccc(F)cc1 ZINC000095373520 568602997 /nfs/dbraw/zinc/60/29/97/568602997.db2.gz PDRJZVPXLGTJMJ-UHFFFAOYSA-N 1 1 424.545 4.285 50 0 HIAAMO COc1ccccc1[C@@](O)(c1ccccc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020440696 568607611 /nfs/dbraw/zinc/60/76/11/568607611.db2.gz BCMGMJMTPLQBPI-RSXGOPAZSA-N 1 1 403.522 4.047 50 0 HIAAMO CN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095446446 568612008 /nfs/dbraw/zinc/61/20/08/568612008.db2.gz ZRAOIVLDVHSHPI-PMACEKPBSA-N 1 1 410.965 4.280 50 0 HIAAMO CN1CC[NH+](CCc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccc4ccccc4c3)c2)CC1 ZINC000095457785 568618663 /nfs/dbraw/zinc/61/86/63/568618663.db2.gz XWTDBUHFUKATNV-IZZNHLLZSA-N 1 1 413.565 4.372 50 0 HIAAMO O=C(c1ccccc1COc1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000095469765 568626004 /nfs/dbraw/zinc/62/60/04/568626004.db2.gz ZSFVAWPACCPQNL-UHFFFAOYSA-N 1 1 400.522 4.266 50 0 HIAAMO COc1ccccc1C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cccs1 ZINC000095950793 568667505 /nfs/dbraw/zinc/66/75/05/568667505.db2.gz QPQPORACPFQUHK-UHFFFAOYSA-N 1 1 406.507 4.055 50 0 HIAAMO COc1ccccc1C[N@@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cccs1 ZINC000095950793 568667507 /nfs/dbraw/zinc/66/75/07/568667507.db2.gz QPQPORACPFQUHK-UHFFFAOYSA-N 1 1 406.507 4.055 50 0 HIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000021148199 568671943 /nfs/dbraw/zinc/67/19/43/568671943.db2.gz KDFAJTJSIKTAOD-VWNXMTODSA-N 1 1 419.569 4.029 50 0 HIAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445144 568726059 /nfs/dbraw/zinc/72/60/59/568726059.db2.gz HBSDGYCMKJUUGD-XMMPIXPASA-N 1 1 408.521 4.199 50 0 HIAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@H+](Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445144 568726062 /nfs/dbraw/zinc/72/60/62/568726062.db2.gz HBSDGYCMKJUUGD-XMMPIXPASA-N 1 1 408.521 4.199 50 0 HIAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445144 568726065 /nfs/dbraw/zinc/72/60/65/568726065.db2.gz HBSDGYCMKJUUGD-XMMPIXPASA-N 1 1 408.521 4.199 50 0 HIAAMO COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)C[NH+]3CCCCC3)n2)cc1 ZINC000021659323 568735220 /nfs/dbraw/zinc/73/52/20/568735220.db2.gz UZKODNKKHGMJBY-UHFFFAOYSA-N 1 1 402.498 4.244 50 0 HIAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(F)c(F)c3F)c(C[NH+]3CCOCC3)c2s1 ZINC000096363825 568739674 /nfs/dbraw/zinc/73/96/74/568739674.db2.gz QSGDMASJRBBNMM-UHFFFAOYSA-N 1 1 409.433 4.040 50 0 HIAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(F)cc3Cl)c(C[NH+]3CCOCC3)c2s1 ZINC000096363819 568739726 /nfs/dbraw/zinc/73/97/26/568739726.db2.gz PFFAJJZRDWLYKZ-UHFFFAOYSA-N 1 1 407.898 4.415 50 0 HIAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCCCC1 ZINC000247867729 568745839 /nfs/dbraw/zinc/74/58/39/568745839.db2.gz PHJXUZBKCIBVRC-IBGZPJMESA-N 1 1 420.532 4.389 50 0 HIAAMO CC(C)N(C)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247950700 568746101 /nfs/dbraw/zinc/74/61/01/568746101.db2.gz BYPSXYWZUCXQKB-SFHVURJKSA-N 1 1 408.521 4.243 50 0 HIAAMO Cc1ccc(CN2C[C@@H]3C[C@@H](c4cc(C)ccc4-n4cccn4)[N@H+]4CCC[C@@]34C2=O)o1 ZINC000015072802 568749168 /nfs/dbraw/zinc/74/91/68/568749168.db2.gz KNCCXEGHVLBMFK-QXWFJRNPSA-N 1 1 416.525 4.020 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccc(Cl)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021793947 568753158 /nfs/dbraw/zinc/75/31/58/568753158.db2.gz SYALRKPDIITOMM-UHFFFAOYSA-N 1 1 421.932 4.453 50 0 HIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000021934625 568761848 /nfs/dbraw/zinc/76/18/48/568761848.db2.gz FGDUPIUSZKVEEE-UHFFFAOYSA-N 1 1 422.532 4.475 50 0 HIAAMO COc1ccccc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000057383317 568831021 /nfs/dbraw/zinc/83/10/21/568831021.db2.gz HJFFZUKWFVRQOU-QGZVFWFLSA-N 1 1 403.482 4.237 50 0 HIAAMO O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882364 568844407 /nfs/dbraw/zinc/84/44/07/568844407.db2.gz MIUIKJQTHBUCBM-AATRIKPKSA-N 1 1 405.325 4.155 50 0 HIAAMO COc1ccccc1NC(=O)C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000029908768 568848840 /nfs/dbraw/zinc/84/88/40/568848840.db2.gz XDPPEQQZBIKYJA-UHFFFAOYSA-N 1 1 421.310 4.448 50 0 HIAAMO O=C(c1cc(Br)ccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000057769975 568860246 /nfs/dbraw/zinc/86/02/46/568860246.db2.gz KMXNJUQNPYGUHJ-UHFFFAOYSA-N 1 1 407.739 4.103 50 0 HIAAMO CC(=O)N1CCC[N@@H+](Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1 ZINC000012594163 568868646 /nfs/dbraw/zinc/86/86/46/568868646.db2.gz SZVUNSVDXXDZIZ-UHFFFAOYSA-N 1 1 402.542 4.210 50 0 HIAAMO O=C(c1ccc(N2CCCC2=O)cc1)N1CCC[C@@H]2C[N@@H+](Cc3cccs3)CC[C@H]21 ZINC000299776113 568874803 /nfs/dbraw/zinc/87/48/03/568874803.db2.gz KFGLWXVEUQDLFM-DENIHFKCSA-N 1 1 423.582 4.002 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)CC1 ZINC000058149009 568892393 /nfs/dbraw/zinc/89/23/93/568892393.db2.gz OIVBMRPTVHFYLJ-UHFFFAOYSA-N 1 1 408.933 4.030 50 0 HIAAMO O=C(N[C@@H](OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1 ZINC000004041483 568935820 /nfs/dbraw/zinc/93/58/20/568935820.db2.gz IZIOHWSZNUHKRR-JZXOWHBKSA-N 1 1 419.780 4.394 50 0 biogenic HIAAMO C[NH+](C)[C@H](CNC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1Cl ZINC000012767639 568949416 /nfs/dbraw/zinc/94/94/16/568949416.db2.gz YRNGKPBXHDQKID-MRXNPFEDSA-N 1 1 405.976 4.487 50 0 HIAAMO Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007989540 568966509 /nfs/dbraw/zinc/96/65/09/568966509.db2.gz CJQIAOUQRWFEBX-NRFANRHFSA-N 1 1 422.960 4.206 50 0 HIAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](CC)Cc2ccc(OC)c(F)c2)c1C ZINC000008188716 568980846 /nfs/dbraw/zinc/98/08/46/568980846.db2.gz ZDCGQEDPTHIMDD-OAHLLOKOSA-N 1 1 404.482 4.049 50 0 HIAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](CC)Cc2ccc(OC)c(F)c2)c1C ZINC000008188716 568980847 /nfs/dbraw/zinc/98/08/47/568980847.db2.gz ZDCGQEDPTHIMDD-OAHLLOKOSA-N 1 1 404.482 4.049 50 0 HIAAMO Cc1c2cccc(C)c2oc1-c1nnc(C(=O)NCCC[N@H+](C)C2CCCCC2)o1 ZINC000085653649 569005978 /nfs/dbraw/zinc/00/59/78/569005978.db2.gz UESAVCULQDFPBC-UHFFFAOYSA-N 1 1 410.518 4.484 50 0 HIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)[nH+]1 ZINC000015825007 569011386 /nfs/dbraw/zinc/01/13/86/569011386.db2.gz LJBKJEUSDKDHJO-UHFFFAOYSA-N 1 1 406.465 4.022 50 0 HIAAMO CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000012859929 569011540 /nfs/dbraw/zinc/01/15/40/569011540.db2.gz IQBOCSPNFSEFAP-CQSZACIVSA-N 1 1 409.313 4.484 50 0 HIAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000035264457 569015648 /nfs/dbraw/zinc/01/56/48/569015648.db2.gz WRSUUOHKPVSFMD-FOIQADDNSA-N 1 1 402.922 4.372 50 0 HIAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N[C@H](C)c2ccccc2Cl)c1 ZINC000035264457 569015649 /nfs/dbraw/zinc/01/56/49/569015649.db2.gz WRSUUOHKPVSFMD-FOIQADDNSA-N 1 1 402.922 4.372 50 0 HIAAMO CC(=O)c1ccc(-c2ccc(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)o2)cc1 ZINC000012899342 569020552 /nfs/dbraw/zinc/02/05/52/569020552.db2.gz YDMAVMVRBRGDLX-UHFFFAOYSA-N 1 1 402.494 4.497 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)cc1 ZINC000245311630 569055663 /nfs/dbraw/zinc/05/56/63/569055663.db2.gz PEVVHERVOUVHQU-GVXSCFBNSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccccc2OC)cc1 ZINC000245311630 569055664 /nfs/dbraw/zinc/05/56/64/569055664.db2.gz PEVVHERVOUVHQU-GVXSCFBNSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCN(c4ncnc5sccc54)C3)C2)c1 ZINC000426556078 569073507 /nfs/dbraw/zinc/07/35/07/569073507.db2.gz XHTUCBZPBONFOJ-JOCHJYFZSA-N 1 1 412.534 4.332 50 0 HIAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCCc3ccccn3)co2)[C@H](C)C(C)C)cc1 ZINC000036063909 569085592 /nfs/dbraw/zinc/08/55/92/569085592.db2.gz WXMBRIDMNCMBPH-HXUWFJFHSA-N 1 1 420.557 4.397 50 0 HIAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCCc3ccccn3)co2)[C@H](C)C(C)C)cc1 ZINC000036063909 569085593 /nfs/dbraw/zinc/08/55/93/569085593.db2.gz WXMBRIDMNCMBPH-HXUWFJFHSA-N 1 1 420.557 4.397 50 0 HIAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)cc1OC ZINC000036096107 569089688 /nfs/dbraw/zinc/08/96/88/569089688.db2.gz TWRUNRIDYLVZSQ-QFIPXVFZSA-N 1 1 401.547 4.130 50 0 HIAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@@H](O)COc2ccccc2C)cc1OC ZINC000036095739 569090018 /nfs/dbraw/zinc/09/00/18/569090018.db2.gz DBSJRUYSMPHFKX-HXUWFJFHSA-N 1 1 411.498 4.047 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H](O)COc2ccccc2C)cc1OC ZINC000036095739 569090020 /nfs/dbraw/zinc/09/00/20/569090020.db2.gz DBSJRUYSMPHFKX-HXUWFJFHSA-N 1 1 411.498 4.047 50 0 HIAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2ccccc2)Cc2cccc(OC)c2)cc1 ZINC000036098278 569090741 /nfs/dbraw/zinc/09/07/41/569090741.db2.gz MXLCNCKRBULVJW-QFIPXVFZSA-N 1 1 407.510 4.146 50 0 HIAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2)s1 ZINC000036101327 569091534 /nfs/dbraw/zinc/09/15/34/569091534.db2.gz 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CCOc1ccc([C@@H]2CC(c3ccc(OC)cc3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344028 569142508 /nfs/dbraw/zinc/14/25/08/569142508.db2.gz NBPSBTZROQYNLV-DEOSSOPVSA-N 1 1 421.541 4.258 50 0 HIAAMO CCOc1ccc([C@H]2CC(c3cccc(OC)c3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344057 569142512 /nfs/dbraw/zinc/14/25/12/569142512.db2.gz XBLYNJDFSVQLQM-XMMPIXPASA-N 1 1 421.541 4.258 50 0 HIAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4c(C)cccc4C)CC3)n2)cc1 ZINC000065184182 569191295 /nfs/dbraw/zinc/19/12/95/569191295.db2.gz GZUAKUBCTSLTMB-UHFFFAOYSA-N 1 1 420.513 4.180 50 0 HIAAMO CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC000036616237 569207423 /nfs/dbraw/zinc/20/74/23/569207423.db2.gz QBWJZBLGJLOMQK-UHFFFAOYSA-N 1 1 400.486 4.465 50 0 HIAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000007377909 569234349 /nfs/dbraw/zinc/23/43/49/569234349.db2.gz RUBJGKHYOZULFT-QHCPKHFHSA-N 1 1 404.466 4.202 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)c2cccc(Br)c2)c(OC)c1 ZINC000065592057 569236777 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1 1 404.514 4.019 50 0 HIAAMO Cc1ccsc1C[N@H+](C)CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000007691320 569300990 /nfs/dbraw/zinc/30/09/90/569300990.db2.gz ILSSIJBPCJWOMN-UHFFFAOYSA-N 1 1 421.566 4.100 50 0 HIAAMO Cc1ccsc1C[N@@H+](C)CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000007691320 569300991 /nfs/dbraw/zinc/30/09/91/569300991.db2.gz ILSSIJBPCJWOMN-UHFFFAOYSA-N 1 1 421.566 4.100 50 0 HIAAMO COC(=O)c1[nH]c2ccc(Cl)cc2c1N(C)C(=O)[C@@H](C)[N@H+]1CCCC(C)(C)C1 ZINC000002316118 569373205 /nfs/dbraw/zinc/37/32/05/569373205.db2.gz MICCWRBLDGFHLQ-CYBMUJFWSA-N 1 1 405.926 4.081 50 0 HIAAMO CCC[C@@H]1CN(Cc2cccc(NC(C)=O)c2)CC[N@H+]1Cc1cccc(NC(C)=O)c1 ZINC000079058940 569426195 /nfs/dbraw/zinc/42/61/95/569426195.db2.gz NTBZHLWTPXRUHV-RUZDIDTESA-N 1 1 422.573 4.090 50 0 HIAAMO CCC[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)CCN1Cc1cccc(NC(C)=O)c1 ZINC000079058940 569426196 /nfs/dbraw/zinc/42/61/96/569426196.db2.gz NTBZHLWTPXRUHV-RUZDIDTESA-N 1 1 422.573 4.090 50 0 HIAAMO CCC[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)CCN1Cc1cccc(NC(C)=O)c1 ZINC000079058940 569426197 /nfs/dbraw/zinc/42/61/97/569426197.db2.gz NTBZHLWTPXRUHV-RUZDIDTESA-N 1 1 422.573 4.090 50 0 HIAAMO COc1ccc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1 ZINC000019791241 569429840 /nfs/dbraw/zinc/42/98/40/569429840.db2.gz FHZOYSNBQPKFCS-QHCPKHFHSA-N 1 1 422.548 4.176 50 0 HIAAMO C[N@H+]1CCCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000008485661 571055528 /nfs/dbraw/zinc/05/55/28/571055528.db2.gz XNGKNEOQLKZYRP-UHFFFAOYSA-N 1 1 421.614 4.486 50 0 HIAAMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(COc4ccccc4)o3)CC2)cc1 ZINC000040030761 571140854 /nfs/dbraw/zinc/14/08/54/571140854.db2.gz VUJZTLMJNARYQI-UHFFFAOYSA-N 1 1 420.509 4.215 50 0 HIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(COc4ccccc4)o3)CC2)cc1 ZINC000040030761 571140855 /nfs/dbraw/zinc/14/08/55/571140855.db2.gz VUJZTLMJNARYQI-UHFFFAOYSA-N 1 1 420.509 4.215 50 0 HIAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)CCSCc3cn4ccccc4n3)CC2)cc1 ZINC000040087009 571157591 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COCCN(Cc1ccc(OC)c(C)c1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012585445 845877535 /nfs/dbraw/zinc/87/75/35/845877535.db2.gz APKZKSYCHKLABJ-QHCPKHFHSA-N 1 1 422.613 4.331 50 0 HIAAMO CCOc1cc(/C=C/C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc(Cl)c1OC ZINC000012997714 845902486 /nfs/dbraw/zinc/90/24/86/845902486.db2.gz UQBUKVULARJFLF-CFGKVWFZSA-N 1 1 414.933 4.276 50 0 HIAAMO CCOc1cc(/C=C/C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc(Cl)c1OC ZINC000012997714 845902495 /nfs/dbraw/zinc/90/24/95/845902495.db2.gz UQBUKVULARJFLF-CFGKVWFZSA-N 1 1 414.933 4.276 50 0 HIAAMO COc1cc2c(Cc3ccc4c(c3)OCO4)ncc([C@H]3CCC[N@H+]3C)c2cc1OC ZINC000013372467 845915361 /nfs/dbraw/zinc/91/53/61/845915361.db2.gz XISGRFQSYRKPNQ-HXUWFJFHSA-N 1 1 406.482 4.338 50 0 HIAAMO O[C@@H](COc1ccc(Cl)cc1CNCc1ccsc1)C[NH+]1CCCCCC1 ZINC000015069016 846005482 /nfs/dbraw/zinc/00/54/82/846005482.db2.gz XDOUSRJNFAWODN-HXUWFJFHSA-N 1 1 408.995 4.307 50 0 HIAAMO Fc1cccc(COc2nc3cc4c(cc3cc2C[NH2+]Cc2ccccn2)OCO4)c1 ZINC000023542299 846718667 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COc1ccc(CC[NH+]2CCC(CN(C)Cc3c(OC)cccc3OC)CC2)cc1 ZINC000012593414 558436572 /nfs/dbraw/zinc/43/65/72/558436572.db2.gz HHIMNGUBZHPRDS-UHFFFAOYSA-N 1 1 412.574 4.099 50 0 HIAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012595268 558437363 /nfs/dbraw/zinc/43/73/63/558437363.db2.gz UZDDLQFOEXOJAP-RUZDIDTESA-N 1 1 424.541 4.259 50 0 HIAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@@H]1COCCO1 ZINC000012708915 558451366 /nfs/dbraw/zinc/45/13/66/558451366.db2.gz OSLAWSJQLYPLFO-JOCHJYFZSA-N 1 1 417.509 4.192 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000012975244 558491055 /nfs/dbraw/zinc/49/10/55/558491055.db2.gz XFGZJUXERREYNZ-AWEZNQCLSA-N 1 1 406.313 4.283 50 0 HIAAMO O=C(C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)Nc1cc(Cl)cc(Cl)c1 ZINC000012975244 558491059 /nfs/dbraw/zinc/49/10/59/558491059.db2.gz XFGZJUXERREYNZ-AWEZNQCLSA-N 1 1 406.313 4.283 50 0 HIAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1OC ZINC000022852977 558517092 /nfs/dbraw/zinc/51/70/92/558517092.db2.gz IEIMSHHMVFEYFA-HXUWFJFHSA-N 1 1 416.587 4.107 50 0 HIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(Cc3csc(C(C)=O)c3)C2)cc1OC ZINC000022852975 558517224 /nfs/dbraw/zinc/51/72/24/558517224.db2.gz IEIMSHHMVFEYFA-FQEVSTJZSA-N 1 1 416.587 4.107 50 0 HIAAMO OCC[C@@H]1CN(Cc2ccccc2OC2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC000022926207 558523084 /nfs/dbraw/zinc/52/30/84/558523084.db2.gz VNDZWWLEVYUVMM-OAQYLSRUSA-N 1 1 400.588 4.138 50 0 HIAAMO OCC[C@@H]1CN(Cc2ccccc2OC2CCCC2)CC[N@H+]1Cc1ccsc1 ZINC000022926207 558523087 /nfs/dbraw/zinc/52/30/87/558523087.db2.gz VNDZWWLEVYUVMM-OAQYLSRUSA-N 1 1 400.588 4.138 50 0 HIAAMO COc1ccc(CC[N@@H+](C)Cc2cc(OC)c(OC)cc2Br)cc1OC ZINC000023280959 558547616 /nfs/dbraw/zinc/54/76/16/558547616.db2.gz HJQVDJGXRLTRBG-UHFFFAOYSA-N 1 1 424.335 4.158 50 0 HIAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3nc(C(C)C)cs3)C2)CC1 ZINC000023430413 558558253 /nfs/dbraw/zinc/55/82/53/558558253.db2.gz QQOOTVJRUBROCD-LJQANCHMSA-N 1 1 414.619 4.062 50 0 HIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000014120656 558622326 /nfs/dbraw/zinc/62/23/26/558622326.db2.gz CTNMFILDDPQPIX-LLVKDONJSA-N 1 1 410.301 4.250 50 0 HIAAMO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000026922173 558667133 /nfs/dbraw/zinc/66/71/33/558667133.db2.gz FAWGBSGUTQJLDH-HNNXBMFYSA-N 1 1 409.313 4.484 50 0 HIAAMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000026925068 558667287 /nfs/dbraw/zinc/66/72/87/558667287.db2.gz QSEBPUJSBXPXEI-SFHVURJKSA-N 1 1 409.505 4.304 50 0 HIAAMO C[N@@H+](CCn1cccn1)Cc1cc2ccc(Cl)cc2n(CCc2ccccc2)c1=O ZINC000014879962 558675652 /nfs/dbraw/zinc/67/56/52/558675652.db2.gz AWPYXJQKAJMOLM-UHFFFAOYSA-N 1 1 420.944 4.226 50 0 HIAAMO COc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCCC2)cc1 ZINC000027664272 558679468 /nfs/dbraw/zinc/67/94/68/558679468.db2.gz UMUXOZDSWMSUFG-OAQYLSRUSA-N 1 1 402.922 4.071 50 0 HIAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(C(C)=O)c3)C2)c1 ZINC000014960479 558683892 /nfs/dbraw/zinc/68/38/92/558683892.db2.gz DLZGZROJEPHKFW-FQEVSTJZSA-N 1 1 408.542 4.206 50 0 HIAAMO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1OC ZINC000014971635 558687506 /nfs/dbraw/zinc/68/75/06/558687506.db2.gz RBXRLRMDXYQTCR-MRXNPFEDSA-N 1 1 403.906 4.461 50 0 HIAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1OC ZINC000014971635 558687508 /nfs/dbraw/zinc/68/75/08/558687508.db2.gz RBXRLRMDXYQTCR-MRXNPFEDSA-N 1 1 403.906 4.461 50 0 HIAAMO Cn1c(SCc2ccccc2)nnc1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1 ZINC000015000907 558697519 /nfs/dbraw/zinc/69/75/19/558697519.db2.gz ZLCMLCKMSDMXKD-LJQANCHMSA-N 1 1 422.554 4.216 50 0 HIAAMO O=C(CSc1ccncc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028490959 558701586 /nfs/dbraw/zinc/70/15/86/558701586.db2.gz VMTHHPJJKYFMOI-UHFFFAOYSA-N 1 1 403.551 4.108 50 0 HIAAMO O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000015063462 558706252 /nfs/dbraw/zinc/70/62/52/558706252.db2.gz ASKPMQJPZPRQJD-NRFANRHFSA-N 1 1 405.567 4.176 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015064659 558707475 /nfs/dbraw/zinc/70/74/75/558707475.db2.gz NWGUWXVIWIMIOX-QFIPXVFZSA-N 1 1 411.615 4.085 50 0 HIAAMO CCOC(=O)[C@@]1(CCOc2ccccc2)CCC[N@@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000015065904 558708897 /nfs/dbraw/zinc/70/88/97/558708897.db2.gz URMIJFLANRKXHR-XMMPIXPASA-N 1 1 413.514 4.015 50 0 HIAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000015068708 558711219 /nfs/dbraw/zinc/71/12/19/558711219.db2.gz CXXDZTOKEFLCEA-JOCHJYFZSA-N 1 1 416.569 4.207 50 0 HIAAMO Cc1ccccc1C[N@@H+]1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NC(C)C ZINC000015071538 558713340 /nfs/dbraw/zinc/71/33/40/558713340.db2.gz KNIGOAABOFYROJ-RXVVDRJESA-N 1 1 408.571 4.131 50 0 HIAAMO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000015077026 558716948 /nfs/dbraw/zinc/71/69/48/558716948.db2.gz UWPYLTSHRUNMRY-UHFFFAOYSA-N 1 1 403.469 4.361 50 0 HIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000015107175 558723212 /nfs/dbraw/zinc/72/32/12/558723212.db2.gz PIVDIKKSTPKCDY-FUHWJXTLSA-N 1 1 406.555 4.252 50 0 HIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)[NH+]2CCCCC2)o1 ZINC000015860429 558758247 /nfs/dbraw/zinc/75/82/47/558758247.db2.gz SWJCEDMVDIUWCR-LJQANCHMSA-N 1 1 408.498 4.268 50 0 HIAAMO CCc1cc2c(cc1OC(=O)[C@H](C)[NH3+])oc(C(F)(F)F)c(Oc1ccccc1)c2=O ZINC000022204260 558779314 /nfs/dbraw/zinc/77/93/14/558779314.db2.gz SWKVUTGVHBLMCP-NSHDSACASA-N 1 1 421.371 4.419 50 0 HIAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(Br)cc2)cc1 ZINC000016339219 558786914 /nfs/dbraw/zinc/78/69/14/558786914.db2.gz CJDIPKKPJXKBCL-HXUWFJFHSA-N 1 1 417.347 4.253 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000016352191 558787623 /nfs/dbraw/zinc/78/76/23/558787623.db2.gz QGZUIRGMRFSERW-RBUKOAKNSA-N 1 1 400.544 4.266 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000016352191 558787624 /nfs/dbraw/zinc/78/76/24/558787624.db2.gz QGZUIRGMRFSERW-RBUKOAKNSA-N 1 1 400.544 4.266 50 0 HIAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@H](C)NC(=S)Nc2cc(C)ccc2C)CC1 ZINC000022942003 558794957 /nfs/dbraw/zinc/79/49/57/558794957.db2.gz DIEPRJNKJIPQKC-GHTZIAJQSA-N 1 1 416.660 4.419 50 0 HIAAMO CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)N3CC[NH+](CC)CC3)cc21 ZINC000032986659 558806627 /nfs/dbraw/zinc/80/66/27/558806627.db2.gz NBSZKEODMSYOEA-UHFFFAOYSA-N 1 1 419.525 4.087 50 0 HIAAMO Fc1cccc(-c2nnc([C@H]3CC34CC[NH+](Cc3nc(-c5ccco5)no3)CC4)o2)c1 ZINC000071890561 558807944 /nfs/dbraw/zinc/80/79/44/558807944.db2.gz UXAXCFRCAFXUIY-MRXNPFEDSA-N 1 1 421.432 4.288 50 0 HIAAMO Cc1oc(-c2cccs2)nc1CN1CC[N@@H+](CC2CCCCC2)[C@H](CCO)C1 ZINC000039466477 558821446 /nfs/dbraw/zinc/82/14/46/558821446.db2.gz HVNAHHKBCKYEDB-LJQANCHMSA-N 1 1 403.592 4.160 50 0 HIAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)c1noc2c1COc1ccccc1-2 ZINC000033028853 558852526 /nfs/dbraw/zinc/85/25/26/558852526.db2.gz UHMZYEGEQRNUQO-UHFFFAOYSA-N 1 1 407.470 4.002 50 0 HIAAMO COc1cccc(-c2nc(C[N@@H+]3CCN(c4ccccc4)C[C@@H]3C)c(C)o2)c1OC ZINC000055099113 558872074 /nfs/dbraw/zinc/87/20/74/558872074.db2.gz HUIPVCIKZONLCS-KRWDZBQOSA-N 1 1 407.514 4.378 50 0 HIAAMO COc1cccc(-c2nc(C[N@H+]3CCN(c4ccccc4)C[C@@H]3C)c(C)o2)c1OC ZINC000055099113 558872075 /nfs/dbraw/zinc/87/20/75/558872075.db2.gz HUIPVCIKZONLCS-KRWDZBQOSA-N 1 1 407.514 4.378 50 0 HIAAMO Cn1cc(C[N@@H+](C)Cc2cccc3ncccc23)c(-c2ccc3c(c2)OCCO3)n1 ZINC000055099970 558872357 /nfs/dbraw/zinc/87/23/57/558872357.db2.gz PZHXHZYDODJADN-UHFFFAOYSA-N 1 1 400.482 4.039 50 0 HIAAMO CCC(=O)Nc1ccc(-c2cc(C(=O)N3CC[NH+](CC)CC3)c3ccccc3n2)cc1 ZINC000033106278 558874059 /nfs/dbraw/zinc/87/40/59/558874059.db2.gz QOGKYLKXVFTWFJ-UHFFFAOYSA-N 1 1 416.525 4.028 50 0 HIAAMO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3csc(C(C)C)n3)C2)CC1 ZINC000055271252 558878067 /nfs/dbraw/zinc/87/80/67/558878067.db2.gz XMUYRXKCIBQDTA-LJQANCHMSA-N 1 1 412.603 4.002 50 0 HIAAMO C[C@H]1CCc2c(c3ccccc3n2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000019371384 558879196 /nfs/dbraw/zinc/87/91/96/558879196.db2.gz ZFRFTKTWYAXXQD-FQEVSTJZSA-N 1 1 401.554 4.224 50 0 HIAAMO Cc1cc(C)cc(NC(=O)N2CC[NH+](CCn3c(C(C)C)nc4cccnc43)CC2)c1 ZINC000033139844 558891580 /nfs/dbraw/zinc/89/15/80/558891580.db2.gz YPZWXWNCPXZBRK-UHFFFAOYSA-N 1 1 420.561 4.021 50 0 HIAAMO CC[C@](C)(CNC(=O)Nc1ccc(N2CCc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000058157671 558903359 /nfs/dbraw/zinc/90/33/59/558903359.db2.gz SYYCXJUKQBGXTA-XMMPIXPASA-N 1 1 408.546 4.003 50 0 HIAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)ccc1OCC(N)=O ZINC000065365679 558976701 /nfs/dbraw/zinc/97/67/01/558976701.db2.gz QRQDEUNQRIRTHF-IBGZPJMESA-N 1 1 402.922 4.330 50 0 HIAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072407443 558977172 /nfs/dbraw/zinc/97/71/72/558977172.db2.gz JAOZFBRLZIRMPR-RTWAWAEBSA-N 1 1 419.500 4.438 50 0 HIAAMO CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072407443 558977175 /nfs/dbraw/zinc/97/71/75/558977175.db2.gz JAOZFBRLZIRMPR-RTWAWAEBSA-N 1 1 419.500 4.438 50 0 HIAAMO CN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2cc3c(cc2nc1-c1ccc(F)cc1)OCO3 ZINC000072407443 558977178 /nfs/dbraw/zinc/97/71/78/558977178.db2.gz JAOZFBRLZIRMPR-RTWAWAEBSA-N 1 1 419.500 4.438 50 0 HIAAMO C[C@H](NC(=S)Nc1ccccc1Cl)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031461 558985413 /nfs/dbraw/zinc/98/54/13/558985413.db2.gz WJFJCKIMYLSMDE-OXJNMPFZSA-N 1 1 402.995 4.004 50 0 HIAAMO Cc1ccc(C[N@H+]2CCN(Cc3nc4ccccc4n3CCC(C)C)C[C@@H]2CCO)o1 ZINC000076863363 558997911 /nfs/dbraw/zinc/99/79/11/558997911.db2.gz HGMOAZWCENUUOM-NRFANRHFSA-N 1 1 424.589 4.053 50 0 HIAAMO Cc1ccc(C[N@@H+]2CCN(Cc3nc4ccccc4n3CCC(C)C)C[C@@H]2CCO)o1 ZINC000076863363 558997912 /nfs/dbraw/zinc/99/79/12/558997912.db2.gz HGMOAZWCENUUOM-NRFANRHFSA-N 1 1 424.589 4.053 50 0 HIAAMO Cc1ncsc1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1F)C2 ZINC000077383570 559003133 /nfs/dbraw/zinc/00/31/33/559003133.db2.gz JNBGRSQWPUNPSY-JOCHJYFZSA-N 1 1 401.551 4.038 50 0 HIAAMO CCCCS(=O)(=O)N1CC[NH+]([C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 ZINC000072265275 559171284 /nfs/dbraw/zinc/17/12/84/559171284.db2.gz BMRRGCRHXOZUGS-QHCPKHFHSA-N 1 1 400.588 4.140 50 0 HIAAMO O=C(Nc1ccc(C[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)cc1)c1ccco1 ZINC000023629168 559178410 /nfs/dbraw/zinc/17/84/10/559178410.db2.gz FVWNEVUHNIPMNC-HSZRJFAPSA-N 1 1 417.509 4.375 50 0 HIAAMO COc1ccc(C[N@H+](C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1OC ZINC000023777718 559180986 /nfs/dbraw/zinc/18/09/86/559180986.db2.gz ZDKCOTJOLOARKA-UHFFFAOYSA-N 1 1 421.522 4.072 50 0 HIAAMO COc1ccc(C[N@@H+](C)Cc2cc(=O)n3c(-c4ccccc4)csc3n2)cc1OC ZINC000023777718 559180987 /nfs/dbraw/zinc/18/09/87/559180987.db2.gz ZDKCOTJOLOARKA-UHFFFAOYSA-N 1 1 421.522 4.072 50 0 HIAAMO CC[C@@](C)(CNC(=O)Nc1cccc(COc2cccc(F)c2)c1)[NH+]1CCOCC1 ZINC000048251094 568434207 /nfs/dbraw/zinc/43/42/07/568434207.db2.gz HAKLBUVMFVGTHW-QHCPKHFHSA-N 1 1 415.509 4.027 50 0 HIAAMO CCCc1ccc([C@H]([NH2+]Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C(C)C)cc1 ZINC000049590131 568453073 /nfs/dbraw/zinc/45/30/73/568453073.db2.gz WOMCCILTICYSDE-HSZRJFAPSA-N 1 1 409.530 4.380 50 0 HIAAMO CCc1nc2ccccc2c(NC(=O)C[N@H+](C)CCc2ccc(OC)c(OC)c2)c1C ZINC000000754666 568471888 /nfs/dbraw/zinc/47/18/88/568471888.db2.gz BJMRTKWNODKMKI-UHFFFAOYSA-N 1 1 421.541 4.236 50 0 biogenic HIAAMO CCc1nc2ccccc2c(NC(=O)C[N@@H+](C)CCc2ccc(OC)c(OC)c2)c1C ZINC000000754666 568471890 /nfs/dbraw/zinc/47/18/90/568471890.db2.gz BJMRTKWNODKMKI-UHFFFAOYSA-N 1 1 421.541 4.236 50 0 biogenic HIAAMO O[C@@H](COc1cccc(CNCc2ccccc2Cl)c1)C[NH+]1CCCCCC1 ZINC000014958865 568485232 /nfs/dbraw/zinc/48/52/32/568485232.db2.gz OKXVCWXLAWYQRT-OAQYLSRUSA-N 1 1 402.966 4.246 50 0 HIAAMO O=C(Nc1ccc2c(c1)OCCCO2)N(CC1CC1)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000604405061 568492512 /nfs/dbraw/zinc/49/25/12/568492512.db2.gz VBXISMSFVRBMGZ-PZJWPPBQSA-N 1 1 413.562 4.356 50 0 HIAAMO Cc1ccc(C)c2c1Sc1ccc(C(=O)NCCC[NH+]3CCOCC3)cc1N=C2C ZINC000020355376 568599946 /nfs/dbraw/zinc/59/99/46/568599946.db2.gz SWMNAVUFFAWFPO-UHFFFAOYSA-N 1 1 423.582 4.361 50 0 HIAAMO CCC[C@](O)(c1ccc(OC)cc1)[C@H](C[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000020446951 568608569 /nfs/dbraw/zinc/60/85/69/568608569.db2.gz CJQXNOTYNXATLS-PKTZIBPZSA-N 1 1 403.950 4.452 50 0 HIAAMO C[C@H](c1cccc(-c2ccncc2)c1)[N@@H+](C)CC(=O)NCCOc1cccc(F)c1 ZINC000095459801 568620025 /nfs/dbraw/zinc/62/00/25/568620025.db2.gz LSQIUJRYJRIVFC-GOSISDBHSA-N 1 1 407.489 4.076 50 0 HIAAMO CC(=O)Nc1ccn([C@H]2CC[N@@H+](CC(Cc3ccccc3)Cc3ccccc3)C2)n1 ZINC000225423522 568636814 /nfs/dbraw/zinc/63/68/14/568636814.db2.gz KARNLJCDSALMLB-DEOSSOPVSA-N 1 1 402.542 4.190 50 0 HIAAMO CCN1c2cc(NC(=O)NC[C@H]3CCC[N@H+]3CC)ccc2Sc2ccccc2C1=O ZINC000020900710 568649865 /nfs/dbraw/zinc/64/98/65/568649865.db2.gz FPDXLLYCZPGWAL-QGZVFWFLSA-N 1 1 424.570 4.424 50 0 HIAAMO C[N@H+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cc(F)ccc2F)C1 ZINC000020927329 568651546 /nfs/dbraw/zinc/65/15/46/568651546.db2.gz OKPHPIJTOCYSCZ-UHFFFAOYSA-N 1 1 402.470 4.127 50 0 HIAAMO Cn1cccc1[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)[N@@H+]1CCc2ccccc2C1 ZINC000021151512 568672365 /nfs/dbraw/zinc/67/23/65/568672365.db2.gz UAXLVQFKRZUIGM-KSUQMOORSA-N 1 1 417.597 4.457 50 0 HIAAMO Cn1cccc1[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)[N@H+]1CCc2ccccc2C1 ZINC000021151512 568672369 /nfs/dbraw/zinc/67/23/69/568672369.db2.gz UAXLVQFKRZUIGM-KSUQMOORSA-N 1 1 417.597 4.457 50 0 HIAAMO COC[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000225770742 568673063 /nfs/dbraw/zinc/67/30/63/568673063.db2.gz IHRBAUWKEGMRHW-LAUBAEHRSA-N 1 1 420.475 4.487 50 0 HIAAMO CC(C)([C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1)N1CCCC1 ZINC000096012770 568685172 /nfs/dbraw/zinc/68/51/72/568685172.db2.gz NAEHHSVVIPWUPM-OAQYLSRUSA-N 1 1 423.454 4.387 50 0 HIAAMO Cc1ccccc1C(=O)Nc1ccc(N2CCC[N@@H+](Cc3ccsc3)CC2)nc1 ZINC000096281049 568718571 /nfs/dbraw/zinc/71/85/71/568718571.db2.gz VOQDEOZRTCNWSO-UHFFFAOYSA-N 1 1 406.555 4.416 50 0 HIAAMO COc1ccc(-c2cc(-c3ccccc3)nc(NC(=O)C[NH+]3CCC(C)CC3)n2)cc1 ZINC000021659322 568735215 /nfs/dbraw/zinc/73/52/15/568735215.db2.gz UOPXTUSSFMDPKL-UHFFFAOYSA-N 1 1 416.525 4.490 50 0 HIAAMO Cc1cc2[nH]c(C(=O)Nc3cc(F)c(F)c(F)c3)c(C[NH+]3CCOCC3)c2s1 ZINC000096363806 568739529 /nfs/dbraw/zinc/73/95/29/568739529.db2.gz OZAWDKGBAZBIRN-UHFFFAOYSA-N 1 1 409.433 4.040 50 0 HIAAMO CC(C)n1c(C[N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)nc2ccccc21 ZINC000248164445 568748002 /nfs/dbraw/zinc/74/80/02/568748002.db2.gz NLKZLGHGTFAOQX-NRFANRHFSA-N 1 1 404.558 4.188 50 0 HIAAMO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(C)C)C1 ZINC000248177251 568748021 /nfs/dbraw/zinc/74/80/21/568748021.db2.gz ZNXSJUXGYXTUPM-OAQYLSRUSA-N 1 1 404.558 4.454 50 0 HIAAMO Fc1cc(F)cc(-c2noc3ncnc(NCCC[N@H+]4CCc5ccccc5C4)c32)c1 ZINC000021714764 568748827 /nfs/dbraw/zinc/74/88/27/568748827.db2.gz AZWGUVJZWPKKNH-UHFFFAOYSA-N 1 1 421.451 4.423 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021793912 568753220 /nfs/dbraw/zinc/75/32/20/568753220.db2.gz WPQYLLXVUKXJIK-UHFFFAOYSA-N 1 1 415.541 4.416 50 0 HIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)c3ccccc3Cl)cc2)[nH+]1 ZINC000021794487 568753455 /nfs/dbraw/zinc/75/34/55/568753455.db2.gz SGNVRLBPTWSEDK-UHFFFAOYSA-N 1 1 423.904 4.271 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4cccc(F)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021795338 568753651 /nfs/dbraw/zinc/75/36/51/568753651.db2.gz ZUKIEZMBHRCVKI-UHFFFAOYSA-N 1 1 420.492 4.330 50 0 HIAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000057435046 568836713 /nfs/dbraw/zinc/83/67/13/568836713.db2.gz FDKXSPVYFTXQRF-HSZRJFAPSA-N 1 1 419.550 4.266 50 0 HIAAMO CC(=O)c1cc2c(cc1NC(=O)C[NH2+][C@H](C)c1ccc(Cl)cc1Cl)OCO2 ZINC000057455972 568837907 /nfs/dbraw/zinc/83/79/07/568837907.db2.gz QBACIVNWYWDHCH-SNVBAGLBSA-N 1 1 409.269 4.214 50 0 HIAAMO COCc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917907 /nfs/dbraw/zinc/91/79/07/568917907.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 1 1 402.510 4.062 50 0 HIAAMO COCc1ccc(CN2CC[C@]3(C2)CCC[N@H+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917908 /nfs/dbraw/zinc/91/79/08/568917908.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 1 1 402.510 4.062 50 0 HIAAMO COCc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717700 568917911 /nfs/dbraw/zinc/91/79/11/568917911.db2.gz QXCIKMVXTWVPKI-HSZRJFAPSA-N 1 1 402.510 4.062 50 0 HIAAMO COc1ccc(-c2nc3ccccc3c(=O)n2-c2ncccc2[C@@H]2CCC[N@H+]2C)cc1 ZINC000003999618 568932128 /nfs/dbraw/zinc/93/21/28/568932128.db2.gz DCBPZXJQMSMMON-QFIPXVFZSA-N 1 1 412.493 4.223 50 0 biogenic HIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)c(C)c1 ZINC000012760196 568944097 /nfs/dbraw/zinc/94/40/97/568944097.db2.gz GDRQHPCBMUDHEG-KRWDZBQOSA-N 1 1 408.502 4.171 50 0 HIAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)COc3ccc(C)cc3)ccc21 ZINC000015669148 568960879 /nfs/dbraw/zinc/96/08/79/568960879.db2.gz NHRJROUQLYAXTB-UHFFFAOYSA-N 1 1 417.513 4.325 50 0 HIAAMO CC(C)[N@@H+](CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2)Cc1ccccc1 ZINC000015674419 568962779 /nfs/dbraw/zinc/96/27/79/568962779.db2.gz SGGPYJKWBQLOGG-UHFFFAOYSA-N 1 1 418.541 4.010 50 0 HIAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000006057311 568989804 /nfs/dbraw/zinc/98/98/04/568989804.db2.gz RYKZIJDNXVDKHS-YOEHRIQHSA-N 1 1 422.451 4.047 50 0 HIAAMO Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000008339633 568993223 /nfs/dbraw/zinc/99/32/23/568993223.db2.gz YYPFOBNPEVPBEX-SFHVURJKSA-N 1 1 412.921 4.053 50 0 HIAAMO CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012866852 569012174 /nfs/dbraw/zinc/01/21/74/569012174.db2.gz FYDIBGWNXPEELU-JOCHJYFZSA-N 1 1 424.541 4.042 50 0 HIAAMO CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012866852 569012175 /nfs/dbraw/zinc/01/21/75/569012175.db2.gz FYDIBGWNXPEELU-JOCHJYFZSA-N 1 1 424.541 4.042 50 0 HIAAMO Cc1nc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc(N(C)C)[nH+]1 ZINC000015838347 569013691 /nfs/dbraw/zinc/01/36/91/569013691.db2.gz HAULNKVHGIAITB-UHFFFAOYSA-N 1 1 416.279 4.202 50 0 HIAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)[nH+]1 ZINC000015838347 569013690 /nfs/dbraw/zinc/01/36/90/569013690.db2.gz HAULNKVHGIAITB-UHFFFAOYSA-N 1 1 416.279 4.202 50 0 HIAAMO C[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000012900295 569020624 /nfs/dbraw/zinc/02/06/24/569020624.db2.gz IAFJYVBNPUDGGB-ZDUSSCGKSA-N 1 1 406.313 4.410 50 0 HIAAMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000229895182 569040689 /nfs/dbraw/zinc/04/06/89/569040689.db2.gz APDSVPCODGPRAN-DOPJRALCSA-N 1 1 422.451 4.292 50 0 HIAAMO Fc1cccc(-c2noc([C@@H]3CCCN([C@H]4CC[N@@H+](CCc5ccccc5)C4)C3)n2)c1 ZINC000241157309 569054667 /nfs/dbraw/zinc/05/46/67/569054667.db2.gz JWRJTAHOCNAGTF-GGAORHGYSA-N 1 1 420.532 4.372 50 0 HIAAMO Fc1cccc(-c2noc([C@@H]3CCC[N@@H+]([C@H]4CCN(CCc5ccccc5)C4)C3)n2)c1 ZINC000241157309 569054668 /nfs/dbraw/zinc/05/46/68/569054668.db2.gz JWRJTAHOCNAGTF-GGAORHGYSA-N 1 1 420.532 4.372 50 0 HIAAMO Fc1cccc(-c2noc([C@@H]3CCC[N@H+]([C@H]4CCN(CCc5ccccc5)C4)C3)n2)c1 ZINC000241157309 569054669 /nfs/dbraw/zinc/05/46/69/569054669.db2.gz JWRJTAHOCNAGTF-GGAORHGYSA-N 1 1 420.532 4.372 50 0 HIAAMO CCOc1ccc(Cl)c(C(=O)OC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(OC)cc2)n1 ZINC000241644463 569054908 /nfs/dbraw/zinc/05/49/08/569054908.db2.gz PQYVLJAMOZKEMH-KKSFZXQISA-N 1 1 418.921 4.382 50 0 HIAAMO Cc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COc2ccccc2)cc1 ZINC000036031455 569081161 /nfs/dbraw/zinc/08/11/61/569081161.db2.gz BEQYWLBUTVPFCO-JOCHJYFZSA-N 1 1 405.494 4.166 50 0 HIAAMO COc1cccc(C[N@H+](Cc2ccccc2)C[C@H](O)COCc2ccccc2)c1OC ZINC000036103630 569092222 /nfs/dbraw/zinc/09/22/22/569092222.db2.gz XBLZXZAHTKXOEW-DEOSSOPVSA-N 1 1 421.537 4.284 50 0 HIAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3C)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801339 569097069 /nfs/dbraw/zinc/09/70/69/569097069.db2.gz VJDSJDPHZRRNTD-UHFFFAOYSA-N 1 1 418.501 4.318 50 0 HIAAMO Cc1ccccc1C1=NO[C@@H](C[N@@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)C1 ZINC000036145789 569098392 /nfs/dbraw/zinc/09/83/92/569098392.db2.gz YRCHGKSTGZSKFU-XZOQPEGZSA-N 1 1 410.558 4.024 50 0 HIAAMO Cc1ccccc1C1=NO[C@H](C[N@@H+](Cc2ccccc2)C[C@H](O)COCC(C)C)C1 ZINC000036145788 569098470 /nfs/dbraw/zinc/09/84/70/569098470.db2.gz YRCHGKSTGZSKFU-GOTSBHOMSA-N 1 1 410.558 4.024 50 0 HIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145886 569098509 /nfs/dbraw/zinc/09/85/09/569098509.db2.gz JANGWTKBWNVUSY-YADHBBJMSA-N 1 1 416.949 4.121 50 0 HIAAMO CC(C)OC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145960 569098651 /nfs/dbraw/zinc/09/86/51/569098651.db2.gz YCOIQORDEYDQNG-YADHBBJMSA-N 1 1 416.949 4.121 50 0 HIAAMO Cc1oc(-c2ccccc2F)nc1C[NH+]1CCC(C(=O)NCCc2ccccc2)CC1 ZINC000006772214 569117450 /nfs/dbraw/zinc/11/74/50/569117450.db2.gz XLDOWJVAPDEABI-UHFFFAOYSA-N 1 1 421.516 4.360 50 0 HIAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCC(C)C)C[C@H](O)COC ZINC000036248935 569117967 /nfs/dbraw/zinc/11/79/67/569117967.db2.gz RIEURNYUTOLULU-FQEVSTJZSA-N 1 1 403.567 4.043 50 0 HIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@H+](CCOC)C[C@H](C)O ZINC000036303066 569128537 /nfs/dbraw/zinc/12/85/37/569128537.db2.gz OFLVPEXGMOHXCS-FQEVSTJZSA-N 1 1 423.557 4.365 50 0 HIAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](CCOC)C[C@H](C)O ZINC000036303066 569128538 /nfs/dbraw/zinc/12/85/38/569128538.db2.gz OFLVPEXGMOHXCS-FQEVSTJZSA-N 1 1 423.557 4.365 50 0 HIAAMO COC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C(C)C ZINC000036304784 569129006 /nfs/dbraw/zinc/12/90/06/569129006.db2.gz GEVSUYAJPPFBMJ-JOCHJYFZSA-N 1 1 423.557 4.499 50 0 HIAAMO CCCC[N@@H+](CCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)Cc1ccco1 ZINC000006817724 569138700 /nfs/dbraw/zinc/13/87/00/569138700.db2.gz CZADVMVYMABWEY-UHFFFAOYSA-N 1 1 424.570 4.318 50 0 HIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@H](c3ccccc3OC)C2)cc1 ZINC000036341426 569141960 /nfs/dbraw/zinc/14/19/60/569141960.db2.gz ZRUPGJMOTXMHIY-MBSDFSHPSA-N 1 1 421.541 4.256 50 0 HIAAMO COc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@H](c3ccc(F)cc3)C2)c1 ZINC000036341351 569142020 /nfs/dbraw/zinc/14/20/20/569142020.db2.gz VXRPAUHUZFFSCH-HXOBKFHXSA-N 1 1 409.505 4.386 50 0 HIAAMO CCOc1ccc([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000036344158 569142506 /nfs/dbraw/zinc/14/25/06/569142506.db2.gz JSUDTNCIWHLYHJ-QHCPKHFHSA-N 1 1 421.541 4.258 50 0 HIAAMO CCc1ccccc1NC(=O)C[NH+]1CCC(c2nc(-c3cccc(F)c3)no2)CC1 ZINC000065184146 569191160 /nfs/dbraw/zinc/19/11/60/569191160.db2.gz BEQAZVUHABVZMZ-UHFFFAOYSA-N 1 1 408.477 4.256 50 0 HIAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000170599316 569242724 /nfs/dbraw/zinc/24/27/24/569242724.db2.gz NBISRCSIMOAJRK-QHCPKHFHSA-N 1 1 420.532 4.269 50 0 HIAAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)Cc1cccc(Cl)c1 ZINC000089702556 569262835 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COc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc(I)c1O ZINC000004988978 557621876 /nfs/dbraw/zinc/62/18/76/557621876.db2.gz JZAASMHKFMEDIL-ZFWWWQNUSA-N 1 1 401.288 4.160 50 0 HIAAMO Cc1[nH]c2ccc(N3CCOCC3)cc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717463 557801850 /nfs/dbraw/zinc/80/18/50/557801850.db2.gz PIPIHZYXDJFJAX-DFBJGRDBSA-N 1 1 409.574 4.486 50 0 HIAAMO CC[N@H+]1CCC[C@H]1CN[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022875303 557843659 /nfs/dbraw/zinc/84/36/59/557843659.db2.gz BGJMXTWCMLLLQP-RXVVDRJESA-N 1 1 401.938 4.102 50 0 HIAAMO CCN1CCC[C@H]1C[NH2+][C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 ZINC000022875303 557843662 /nfs/dbraw/zinc/84/36/62/557843662.db2.gz BGJMXTWCMLLLQP-RXVVDRJESA-N 1 1 401.938 4.102 50 0 HIAAMO FC(F)(F)c1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000019743200 558263630 /nfs/dbraw/zinc/26/36/30/558263630.db2.gz VSJYIJJTUVPTEG-UHFFFAOYSA-N 1 1 400.448 4.140 50 0 HIAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(F)c2)C1 ZINC000011664310 558267915 /nfs/dbraw/zinc/26/79/15/558267915.db2.gz JPXOHOBTWMWGDF-KRWDZBQOSA-N 1 1 407.445 4.039 50 0 HIAAMO CCc1[nH+]ccn1CCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(C)n1 ZINC000011664748 558268084 /nfs/dbraw/zinc/26/80/84/558268084.db2.gz LVLUHKNTQRXLLO-VWLOTQADSA-N 1 1 413.525 4.195 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCC[C@@H](CO)C2)cc1F ZINC000011705687 558270871 /nfs/dbraw/zinc/27/08/71/558270871.db2.gz UBMVCJHPPFJHIB-GOSISDBHSA-N 1 1 409.505 4.200 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1)N1CCOCC1 ZINC000011754251 558273118 /nfs/dbraw/zinc/27/31/18/558273118.db2.gz NQSIFZYFPSAYCH-IBGZPJMESA-N 1 1 406.526 4.437 50 0 HIAAMO C/C=C(\C)C[N@@H+]1CCc2nnc([C@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011782273 558274935 /nfs/dbraw/zinc/27/49/35/558274935.db2.gz CGLNVWWRSCOJHW-BLJICVJPSA-N 1 1 423.605 4.236 50 0 HIAAMO CCCn1cc([C@@H]2C[C@H]3CN(Cc4cccc(Cl)c4)C(=O)[C@]34CCC[N@@H+]24)c(C)n1 ZINC000011818022 558281211 /nfs/dbraw/zinc/28/12/11/558281211.db2.gz OUHMROWDJQRWJY-HARLFGEKSA-N 1 1 412.965 4.193 50 0 HIAAMO CC(C)Cc1cc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000011819473 558282602 /nfs/dbraw/zinc/28/26/02/558282602.db2.gz FTMNZZCUTNAZFC-XMMPIXPASA-N 1 1 402.627 4.244 50 0 HIAAMO COc1ccc(C(=O)N(Cc2cccnc2)C[C@H]2CCC[N@H+](C3CCCCC3)C2)o1 ZINC000011821933 558285082 /nfs/dbraw/zinc/28/50/82/558285082.db2.gz KGJSWGIDPUVIMY-FQEVSTJZSA-N 1 1 411.546 4.370 50 0 HIAAMO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3sc(N(C)C)nc3Cl)c2C)cc1 ZINC000011878406 558292741 /nfs/dbraw/zinc/29/27/41/558292741.db2.gz GGLDOBVYYLAGAR-GFCCVEGCSA-N 1 1 405.955 4.216 50 0 HIAAMO COc1cc2c(cc1C[N@@H+]1CCc3nnc(C)n3CC1)oc(C)c2-c1ccccc1 ZINC000019836950 558293200 /nfs/dbraw/zinc/29/32/00/558293200.db2.gz GKFSCRIWIVFUDD-UHFFFAOYSA-N 1 1 402.498 4.375 50 0 HIAAMO COc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+]3CCC(C)CC3)no2)cc1 ZINC000011905250 558295884 /nfs/dbraw/zinc/29/58/84/558295884.db2.gz YWSXTWGFWGMOKI-HXUWFJFHSA-N 1 1 409.486 4.146 50 0 HIAAMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019852012 558295871 /nfs/dbraw/zinc/29/58/71/558295871.db2.gz VWFKWGKJSFSIBW-HSZRJFAPSA-N 1 1 413.585 4.007 50 0 HIAAMO Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000019852012 558295875 /nfs/dbraw/zinc/29/58/75/558295875.db2.gz VWFKWGKJSFSIBW-HSZRJFAPSA-N 1 1 413.585 4.007 50 0 HIAAMO CCN(Cc1cnc(N(C)C)s1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011932902 558297695 /nfs/dbraw/zinc/29/76/95/558297695.db2.gz DJHBVIPASKYIJR-IBGZPJMESA-N 1 1 404.599 4.125 50 0 HIAAMO CC[N@@H+](Cc1cnc(N(C)C)s1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011932902 558297699 /nfs/dbraw/zinc/29/76/99/558297699.db2.gz DJHBVIPASKYIJR-IBGZPJMESA-N 1 1 404.599 4.125 50 0 HIAAMO CC[N@H+](Cc1cnc(N(C)C)s1)C[C@@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011932902 558297702 /nfs/dbraw/zinc/29/77/02/558297702.db2.gz DJHBVIPASKYIJR-IBGZPJMESA-N 1 1 404.599 4.125 50 0 HIAAMO COc1ccc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019907640 558305853 /nfs/dbraw/zinc/30/58/53/558305853.db2.gz FEBKUTYHWDAQRY-UHFFFAOYSA-N 1 1 400.522 4.172 50 0 HIAAMO c1nc(-c2ccccc2)sc1C[N@H+]1CCOc2ccc(CN3CCOCC3)cc2C1 ZINC000011996091 558306553 /nfs/dbraw/zinc/30/65/53/558306553.db2.gz ORXUEQWYBLFKMD-UHFFFAOYSA-N 1 1 421.566 4.037 50 0 HIAAMO c1nc(-c2ccccc2)sc1C[N@@H+]1CCOc2ccc(CN3CCOCC3)cc2C1 ZINC000011996091 558306556 /nfs/dbraw/zinc/30/65/56/558306556.db2.gz ORXUEQWYBLFKMD-UHFFFAOYSA-N 1 1 421.566 4.037 50 0 HIAAMO CCOc1ccc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc1CO ZINC000012072346 558317807 /nfs/dbraw/zinc/31/78/07/558317807.db2.gz TXOKYCADAWGOHO-GOSISDBHSA-N 1 1 414.521 4.348 50 0 HIAAMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)c1OC ZINC000012090197 558323851 /nfs/dbraw/zinc/32/38/51/558323851.db2.gz WEEGWYHFBYCLSP-QGZVFWFLSA-N 1 1 400.519 4.494 50 0 HIAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)CC(C)C)C3)c(C)o2)c1OC ZINC000012090197 558323855 /nfs/dbraw/zinc/32/38/55/558323855.db2.gz WEEGWYHFBYCLSP-QGZVFWFLSA-N 1 1 400.519 4.494 50 0 HIAAMO Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NCCC[NH+]1CCOCC1 ZINC000020295281 558354451 /nfs/dbraw/zinc/35/44/51/558354451.db2.gz XJMYQKIVGWYUFR-UHFFFAOYSA-N 1 1 423.944 4.316 50 0 HIAAMO O=C(Nc1ccnn1C1CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1)C1CC1 ZINC000020363519 558358148 /nfs/dbraw/zinc/35/81/48/558358148.db2.gz XDQJNTYWVWASBC-UHFFFAOYSA-N 1 1 407.543 4.192 50 0 HIAAMO O=C(Nc1ccc(Cl)cc1)N(CCC[NH+]1CCOCC1)Cc1cccc(F)c1 ZINC000020437667 558363169 /nfs/dbraw/zinc/36/31/69/558363169.db2.gz FFGOVTWZVCUWMK-UHFFFAOYSA-N 1 1 405.901 4.236 50 0 HIAAMO Fc1ccc(CN(CCC[NH+]2CCOCC2)C(=S)Nc2cccc(Cl)c2)cc1 ZINC000020437519 558363211 /nfs/dbraw/zinc/36/32/11/558363211.db2.gz SKCDGSXUYWCUFS-UHFFFAOYSA-N 1 1 421.969 4.400 50 0 HIAAMO c1[nH]nc(C2CCCCC2)c1C[N@@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449649 558364853 /nfs/dbraw/zinc/36/48/53/558364853.db2.gz ZFHKXAXHLIVYKM-XMMPIXPASA-N 1 1 407.606 4.244 50 0 HIAAMO c1[nH]nc(C2CCCCC2)c1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449649 558364856 /nfs/dbraw/zinc/36/48/56/558364856.db2.gz ZFHKXAXHLIVYKM-XMMPIXPASA-N 1 1 407.606 4.244 50 0 HIAAMO O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CC[N@H+]2CCC[C@H]2C1 ZINC000012317695 558381146 /nfs/dbraw/zinc/38/11/46/558381146.db2.gz RSLWFKNNYAWWIT-HNNXBMFYSA-N 1 1 420.460 4.002 50 0 HIAAMO C[C@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000020688654 558400654 /nfs/dbraw/zinc/40/06/54/558400654.db2.gz GDWYPEYBDHHGGV-UOSJIABYSA-N 1 1 401.576 4.068 50 0 HIAAMO COc1ccc(-n2ccnc2CN(C)CC2CC[NH+](Cc3ccc(C)o3)CC2)cc1 ZINC000012429512 558404496 /nfs/dbraw/zinc/40/44/96/558404496.db2.gz MDMUWRNGXBQQHN-UHFFFAOYSA-N 1 1 408.546 4.126 50 0 HIAAMO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@](CO)(Cc3ccc(F)cc3)C2)cn1 ZINC000012464470 558419937 /nfs/dbraw/zinc/41/99/37/558419937.db2.gz BMMZFIIAGLHTNK-VWLOTQADSA-N 1 1 405.517 4.408 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(OC)c1 ZINC000012570360 558428715 /nfs/dbraw/zinc/42/87/15/558428715.db2.gz RUUBNFSRHMOYGM-QGZVFWFLSA-N 1 1 402.560 4.074 50 0 HIAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012581006 558432661 /nfs/dbraw/zinc/43/26/61/558432661.db2.gz ZMBRTCHVTKLOFF-RUZDIDTESA-N 1 1 424.541 4.042 50 0 HIAAMO O=C(c1cccs1)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000012581038 558432701 /nfs/dbraw/zinc/43/27/01/558432701.db2.gz YSYYPLSAORDLNY-FQEVSTJZSA-N 1 1 403.636 4.331 50 0 HIAAMO O=C(c1cccs1)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000012581038 558432704 /nfs/dbraw/zinc/43/27/04/558432704.db2.gz YSYYPLSAORDLNY-FQEVSTJZSA-N 1 1 403.636 4.331 50 0 HIAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000012596702 558438018 /nfs/dbraw/zinc/43/80/18/558438018.db2.gz NDXSFRJWHHXSJV-MRXNPFEDSA-N 1 1 412.534 4.054 50 0 HIAAMO CCCC(=O)OC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000004354254 558439865 /nfs/dbraw/zinc/43/98/65/558439865.db2.gz VXRZYVOKODTIHC-HSZRJFAPSA-N 1 1 400.563 4.089 50 0 HIAAMO COc1ccc(CCC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)cc1OC ZINC000012702446 558448134 /nfs/dbraw/zinc/44/81/34/558448134.db2.gz HPRWVGITFBBFOC-HXUWFJFHSA-N 1 1 416.949 4.071 50 0 HIAAMO COc1ccc(CCC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1OC ZINC000012702446 558448137 /nfs/dbraw/zinc/44/81/37/558448137.db2.gz HPRWVGITFBBFOC-HXUWFJFHSA-N 1 1 416.949 4.071 50 0 HIAAMO Cc1ccc(NC(=O)N2CCN(c3cc(Nc4ccc(C)cc4)[nH+]c(C)n3)CC2)cc1 ZINC000021795334 558449657 /nfs/dbraw/zinc/44/96/57/558449657.db2.gz QGXIENGVCOKSFH-UHFFFAOYSA-N 1 1 416.529 4.500 50 0 HIAAMO Cc1c(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)[nH]c2c1C(=O)CCC2 ZINC000022294407 558476682 /nfs/dbraw/zinc/47/66/82/558476682.db2.gz FWMKLKNJOXKYPF-CHWSQXEVSA-N 1 1 400.548 4.029 50 0 HIAAMO O[C@@H](COc1cccc(Oc2ccccc2)c1)C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000023109831 558534589 /nfs/dbraw/zinc/53/45/89/558534589.db2.gz VEMZPYVDXKDNQZ-JOCHJYFZSA-N 1 1 422.500 4.180 50 0 HIAAMO Cc1occc1-c1nnc(SC[C@@H]2C[N@@H+](CC(C)C)CCO2)n1-c1ccccc1 ZINC000023882940 558580331 /nfs/dbraw/zinc/58/03/31/558580331.db2.gz FMHDXBMOUKRQHG-IBGZPJMESA-N 1 1 412.559 4.285 50 0 HIAAMO COc1ccc(OCc2noc(C[N@@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024668521 558606887 /nfs/dbraw/zinc/60/68/87/558606887.db2.gz GLZDSVGCMVJMGG-INIZCTEOSA-N 1 1 420.469 4.178 50 0 HIAAMO COc1ccc(OCc2noc(C[N@H+]3CCC[C@H](c4nc5ccccc5o4)C3)n2)cc1 ZINC000024668521 558606890 /nfs/dbraw/zinc/60/68/90/558606890.db2.gz GLZDSVGCMVJMGG-INIZCTEOSA-N 1 1 420.469 4.178 50 0 HIAAMO Cc1ccc(-c2nc(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)c(C)c1 ZINC000024836932 558616208 /nfs/dbraw/zinc/61/62/08/558616208.db2.gz DNXYMLSENASXKH-FQEVSTJZSA-N 1 1 405.567 4.360 50 0 HIAAMO Cc1nccc(-c2cccc(NC(=O)c3ccc(C[NH+]4C[C@@H](C)O[C@H](C)C4)cc3)c2)n1 ZINC000025129321 558632277 /nfs/dbraw/zinc/63/22/77/558632277.db2.gz SAWFZYUJYJYTDG-QZTJIDSGSA-N 1 1 416.525 4.314 50 0 HIAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(C2SCCS2)cc1)[NH+](C)C ZINC000014201550 558636988 /nfs/dbraw/zinc/63/69/88/558636988.db2.gz YWGJZJYXRXGGQW-GOSISDBHSA-N 1 1 402.585 4.207 50 0 HIAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cc[nH+]c2cc(Cl)ccc21 ZINC000011006244 558660553 /nfs/dbraw/zinc/66/05/53/558660553.db2.gz GNSYVBVQGCGUNF-AWEZNQCLSA-N 1 1 408.889 4.088 50 0 HIAAMO COc1ccccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000004543397 558663659 /nfs/dbraw/zinc/66/36/59/558663659.db2.gz PBNLXENQTXIOCH-NRFANRHFSA-N 1 1 405.523 4.169 50 0 HIAAMO COc1ccccc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000004543397 558663662 /nfs/dbraw/zinc/66/36/62/558663662.db2.gz PBNLXENQTXIOCH-NRFANRHFSA-N 1 1 405.523 4.169 50 0 HIAAMO CNc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)ccn1 ZINC000014959744 558683537 /nfs/dbraw/zinc/68/35/37/558683537.db2.gz VKBDDVIWDUNUGM-VWLOTQADSA-N 1 1 406.574 4.375 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CCn3cccn3)c(C)o2)cc1 ZINC000014980737 558691106 /nfs/dbraw/zinc/69/11/06/558691106.db2.gz WSQQSOQXVGPWHW-FQEVSTJZSA-N 1 1 408.502 4.078 50 0 HIAAMO Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)oc2c1C ZINC000028290776 558696962 /nfs/dbraw/zinc/69/69/62/558696962.db2.gz XUMQMIIYHDXDRM-GOSISDBHSA-N 1 1 410.539 4.428 50 0 HIAAMO Cc1c(C[N@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015062220 558705028 /nfs/dbraw/zinc/70/50/28/558705028.db2.gz JOHMLWSSQFTPDX-QFIPXVFZSA-N 1 1 404.558 4.178 50 0 HIAAMO CN(C)c1nc(Cl)c(C[NH+]2CCC(CO)(CCCc3ccccc3)CC2)s1 ZINC000015066815 558709700 /nfs/dbraw/zinc/70/97/00/558709700.db2.gz BZJAGBHZMQIGRW-UHFFFAOYSA-N 1 1 408.011 4.460 50 0 HIAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310161 558731653 /nfs/dbraw/zinc/73/16/53/558731653.db2.gz WSCIZOAYDVIDJC-OAQYLSRUSA-N 1 1 412.505 4.173 50 0 HIAAMO CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000015310161 558731656 /nfs/dbraw/zinc/73/16/56/558731656.db2.gz WSCIZOAYDVIDJC-OAQYLSRUSA-N 1 1 412.505 4.173 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000015312777 558731910 /nfs/dbraw/zinc/73/19/10/558731910.db2.gz ZTFJAJCNZCMECT-FQEVSTJZSA-N 1 1 402.922 4.153 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000015312777 558731911 /nfs/dbraw/zinc/73/19/11/558731911.db2.gz ZTFJAJCNZCMECT-FQEVSTJZSA-N 1 1 402.922 4.153 50 0 HIAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000015319688 558732406 /nfs/dbraw/zinc/73/24/06/558732406.db2.gz RYKZIJDNXVDKHS-PBHICJAKSA-N 1 1 422.451 4.047 50 0 HIAAMO Cc1cccc(OCC(=O)N(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000072304628 558757279 /nfs/dbraw/zinc/75/72/79/558757279.db2.gz YFNNSMIYHZKLCP-FQEVSTJZSA-N 1 1 420.475 4.287 50 0 HIAAMO CCOc1cc(C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000033087229 558760687 /nfs/dbraw/zinc/76/06/87/558760687.db2.gz TYZVUHCQOHOJPD-NRFANRHFSA-N 1 1 412.530 4.075 50 0 HIAAMO CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016344418 558787166 /nfs/dbraw/zinc/78/71/66/558787166.db2.gz BNTWZEUKPFMCKN-JOCHJYFZSA-N 1 1 408.542 4.422 50 0 HIAAMO CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000016344418 558787168 /nfs/dbraw/zinc/78/71/68/558787168.db2.gz BNTWZEUKPFMCKN-JOCHJYFZSA-N 1 1 408.542 4.422 50 0 HIAAMO COc1ccc(OC)c(-c2nc(CN3CC[N@H+](C)[C@H](c4ccccc4)C3)c(C)o2)c1 ZINC000039364493 558820407 /nfs/dbraw/zinc/82/04/07/558820407.db2.gz IWZFUEKXQZHCRN-QFIPXVFZSA-N 1 1 407.514 4.156 50 0 HIAAMO COc1ccc(OC)c(-c2nc(CN3CC[N@@H+](C)[C@H](c4ccccc4)C3)c(C)o2)c1 ZINC000039364493 558820409 /nfs/dbraw/zinc/82/04/09/558820409.db2.gz IWZFUEKXQZHCRN-QFIPXVFZSA-N 1 1 407.514 4.156 50 0 HIAAMO c1[nH]nc(-c2cccc3ccccc32)c1C[N@@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000019146128 558846634 /nfs/dbraw/zinc/84/66/34/558846634.db2.gz AGHCFJNVCHRBQI-JOCHJYFZSA-N 1 1 404.558 4.307 50 0 HIAAMO CN1CC[NH+](CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019338440 558870892 /nfs/dbraw/zinc/87/08/92/558870892.db2.gz DOUQJBPSTIKRPH-UHFFFAOYSA-N 1 1 421.488 4.472 50 0 in-man HIAAMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000055072976 558871459 /nfs/dbraw/zinc/87/14/59/558871459.db2.gz GYSDQERIVAWXHF-QGZVFWFLSA-N 1 1 402.951 4.128 50 0 HIAAMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1csc2nc(-c3ccc(Cl)cc3)cn12 ZINC000055072976 558871462 /nfs/dbraw/zinc/87/14/62/558871462.db2.gz GYSDQERIVAWXHF-QGZVFWFLSA-N 1 1 402.951 4.128 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)cc1OC ZINC000055152896 558874238 /nfs/dbraw/zinc/87/42/38/558874238.db2.gz SXIWPXVEWOYLHT-GOSISDBHSA-N 1 1 405.498 4.050 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)CCn2ccnc2)cc1F ZINC000055182613 558875038 /nfs/dbraw/zinc/87/50/38/558875038.db2.gz GEWLMYPXFCPOGO-UHFFFAOYSA-N 1 1 419.504 4.324 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccc(OC)cc3F)C2)cc1 ZINC000055252572 558877539 /nfs/dbraw/zinc/87/75/39/558877539.db2.gz REJRHQZAWJHBQQ-HXUWFJFHSA-N 1 1 400.538 4.229 50 0 HIAAMO CCOc1ccccc1NC(=O)[C@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000057945318 558891629 /nfs/dbraw/zinc/89/16/29/558891629.db2.gz IOZSVHJNWUYIRU-YADARESESA-N 1 1 418.493 4.195 50 0 HIAAMO CCOC(=O)C1=C(C[NH2+]C(C)(C)CC(C)(C)C)NC(=O)N[C@H]1c1cc(C)ccc1C ZINC000004689224 558899231 /nfs/dbraw/zinc/89/92/31/558899231.db2.gz VPEHNWSWTAQEKI-FQEVSTJZSA-N 1 1 415.578 4.279 50 0 HIAAMO COc1cc(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)cc(OC)c1OC ZINC000058165244 558906687 /nfs/dbraw/zinc/90/66/87/558906687.db2.gz DHOTYEMRFVKZKA-UHFFFAOYSA-N 1 1 406.482 4.030 50 0 HIAAMO Cc1nc(C)c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)Cc3ccccc3C2)s1 ZINC000019608124 558946615 /nfs/dbraw/zinc/94/66/15/558946615.db2.gz QBKZBORLBBTTQK-UHFFFAOYSA-N 1 1 405.567 4.159 50 0 HIAAMO CN(C)[C@@H]1CC[N@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072419123 558978078 /nfs/dbraw/zinc/97/80/78/558978078.db2.gz YKLKPPHEFAXEGA-LJQANCHMSA-N 1 1 409.917 4.420 50 0 HIAAMO CN(C)[C@@H]1CC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072419123 558978084 /nfs/dbraw/zinc/97/80/84/558978084.db2.gz YKLKPPHEFAXEGA-LJQANCHMSA-N 1 1 409.917 4.420 50 0 HIAAMO CCC[N@@H+](Cc1ccc(OCC)cc1)Cc1cc(=O)n2c(n1)sc1c2CCCC1 ZINC000033069016 558982175 /nfs/dbraw/zinc/98/21/75/558982175.db2.gz PHOCEPUSYIEKOX-UHFFFAOYSA-N 1 1 411.571 4.446 50 0 HIAAMO C[C@H]1CN(Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CC[N@H+]1C ZINC000072453566 558982858 /nfs/dbraw/zinc/98/28/58/558982858.db2.gz ISKUQQUIRCNTKA-HNNXBMFYSA-N 1 1 409.917 4.420 50 0 HIAAMO C[C@H]1C[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)CCN1C ZINC000072453566 558982862 /nfs/dbraw/zinc/98/28/62/558982862.db2.gz ISKUQQUIRCNTKA-HNNXBMFYSA-N 1 1 409.917 4.420 50 0 HIAAMO Cc1nc(C[NH+]2CCC3(CN(C[C@H](C)c4ccccc4)C(=O)O3)CC2)c2ccccn12 ZINC000072468278 558983304 /nfs/dbraw/zinc/98/33/04/558983304.db2.gz MICLWQKGXVSNAZ-IBGZPJMESA-N 1 1 418.541 4.233 50 0 HIAAMO Cn1ncc(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c1C1CC1 ZINC000072479641 558984068 /nfs/dbraw/zinc/98/40/68/558984068.db2.gz ZROIHKLYSGUYEE-UHFFFAOYSA-N 1 1 419.495 4.346 50 0 HIAAMO COc1cc(OC)c(NC(=O)N2CCC(C[N@H+]3CCC[C@@H](C)C3)CC2)cc1Cl ZINC000033312160 559054644 /nfs/dbraw/zinc/05/46/44/559054644.db2.gz IQDLJMUEFDUSDS-OAHLLOKOSA-N 1 1 409.958 4.333 50 0 HIAAMO Cc1nc(N(C)C)cc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)[nH+]1 ZINC000033318453 559055944 /nfs/dbraw/zinc/05/59/44/559055944.db2.gz LVMKUDILKMMVEW-UHFFFAOYSA-N 1 1 417.922 4.049 50 0 HIAAMO O=C1CC[N@H+](Cc2ccc(O)c(Cl)c2)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000095519082 559084975 /nfs/dbraw/zinc/08/49/75/559084975.db2.gz UCOYOKXPXTYXJT-UHFFFAOYSA-N 1 1 412.839 4.299 50 0 HIAAMO O=C1CC[N@@H+](Cc2ccc(O)c(Cl)c2)CCN1Cc1cccc(C(F)(F)F)c1 ZINC000095519082 559084977 /nfs/dbraw/zinc/08/49/77/559084977.db2.gz UCOYOKXPXTYXJT-UHFFFAOYSA-N 1 1 412.839 4.299 50 0 HIAAMO Cc1cccc2cc(CN3CC[N@H+](C)[C@@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000107016430 559164311 /nfs/dbraw/zinc/16/43/11/559164311.db2.gz IZPKBHYCBIMNRY-QFIPXVFZSA-N 1 1 409.961 4.362 50 0 HIAAMO Cc1cccc2cc(C[N@H+]3CCN(C)[C@@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000107016430 559164313 /nfs/dbraw/zinc/16/43/13/559164313.db2.gz IZPKBHYCBIMNRY-QFIPXVFZSA-N 1 1 409.961 4.362 50 0 HIAAMO Cc1cccc2cc(C[N@@H+]3CCN(C)[C@@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000107016430 559164315 /nfs/dbraw/zinc/16/43/15/559164315.db2.gz IZPKBHYCBIMNRY-QFIPXVFZSA-N 1 1 409.961 4.362 50 0 HIAAMO COCCC[N@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000004920695 559206884 /nfs/dbraw/zinc/20/68/84/559206884.db2.gz DFNIQOGPDLBFGE-QFIPXVFZSA-N 1 1 420.525 4.078 50 0 HIAAMO COCCC[N@@H+](CC(=O)N1CCS[C@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000004920695 559206886 /nfs/dbraw/zinc/20/68/86/559206886.db2.gz DFNIQOGPDLBFGE-QFIPXVFZSA-N 1 1 420.525 4.078 50 0 HIAAMO CC[N@@H+]1CCc2c(sc3nc(SC(C)C)n(-c4cccc(OC)c4)c(=O)c32)C1 ZINC000017981442 560733007 /nfs/dbraw/zinc/73/30/07/560733007.db2.gz FSRJIQFGBMBOKK-UHFFFAOYSA-N 1 1 415.584 4.334 50 0 HIAAMO CC[N@H+]1CCc2c(sc3nc(SC(C)C)n(-c4cccc(OC)c4)c(=O)c32)C1 ZINC000017981442 560733009 /nfs/dbraw/zinc/73/30/09/560733009.db2.gz FSRJIQFGBMBOKK-UHFFFAOYSA-N 1 1 415.584 4.334 50 0 HIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@@H](c3ccccc3)C2)c(OC)c1 ZINC000105008251 560859809 /nfs/dbraw/zinc/85/98/09/560859809.db2.gz KGMIMGQKJRPBHE-FDDCHVKYSA-N 1 1 421.541 4.256 50 0 HIAAMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000107497294 560896514 /nfs/dbraw/zinc/89/65/14/560896514.db2.gz APDSVPCODGPRAN-FSPWUOQZSA-N 1 1 422.451 4.292 50 0 HIAAMO CC[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032248 568424649 /nfs/dbraw/zinc/42/46/49/568424649.db2.gz DSPBYQKEQJWNKG-UHFFFAOYSA-N 1 1 410.930 4.494 50 0 HIAAMO COc1ccc([C@@H](NC(=O)C[N@H+](C)CCOc2ccccc2F)c2ccccc2)cc1 ZINC000049581216 568452864 /nfs/dbraw/zinc/45/28/64/568452864.db2.gz HFFQBXZSIALKSF-VWLOTQADSA-N 1 1 422.500 4.051 50 0 HIAAMO COc1ccc([C@@H](NC(=O)C[N@@H+](C)CCOc2ccccc2F)c2ccccc2)cc1 ZINC000049581216 568452865 /nfs/dbraw/zinc/45/28/65/568452865.db2.gz HFFQBXZSIALKSF-VWLOTQADSA-N 1 1 422.500 4.051 50 0 HIAAMO CC[N@H+](CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)Cc1ccccc1 ZINC000007445309 568481024 /nfs/dbraw/zinc/48/10/24/568481024.db2.gz DFFHJUBTFCYRSY-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO CC[N@@H+](CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC)cc1)Cc1ccccc1 ZINC000007445309 568481025 /nfs/dbraw/zinc/48/10/25/568481025.db2.gz DFFHJUBTFCYRSY-UHFFFAOYSA-N 1 1 417.509 4.408 50 0 HIAAMO Cc1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000095394254 568604389 /nfs/dbraw/zinc/60/43/89/568604389.db2.gz RULRUSJIFHDLRV-UHFFFAOYSA-N 1 1 407.341 4.461 50 0 HIAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000095408035 568606331 /nfs/dbraw/zinc/60/63/31/568606331.db2.gz XVCGPRDEXSZEKB-JXFKEZNVSA-N 1 1 406.448 4.111 50 0 HIAAMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000095452797 568615288 /nfs/dbraw/zinc/61/52/88/568615288.db2.gz ITDHDBLCBYQMEP-OXQOHEQNSA-N 1 1 414.937 4.262 50 0 HIAAMO CCOc1ccc([C@](O)(CC)[C@H](C[NH+]2CCOCC2)c2ccc(Cl)cc2)cc1 ZINC000020868313 568647229 /nfs/dbraw/zinc/64/72/29/568647229.db2.gz JCYLCSPPGUKCDC-DHIUTWEWSA-N 1 1 403.950 4.452 50 0 HIAAMO CC(C)(C)OC(=O)N1CCC[C@H]([N@@H+](Cc2ccc(F)cc2)Cc2cncnc2)CC1 ZINC000225672854 568662776 /nfs/dbraw/zinc/66/27/76/568662776.db2.gz ZNLQOEHMXNDWTD-NRFANRHFSA-N 1 1 414.525 4.408 50 0 HIAAMO COc1ccccc1[C@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021523233 568708593 /nfs/dbraw/zinc/70/85/93/568708593.db2.gz MENOUBXBHIEPBM-AOYPEHQESA-N 1 1 421.512 4.186 50 0 HIAAMO Cc1cc2[nH]c(C(=O)Nc3ccc(Cl)cc3F)c(C[NH+]3CCOCC3)c2s1 ZINC000096363823 568739755 /nfs/dbraw/zinc/73/97/55/568739755.db2.gz WINVGTCAUOYTEP-UHFFFAOYSA-N 1 1 407.898 4.415 50 0 HIAAMO Cc1cccc(Cn2nc(C[NH2+]Cc3ccc4c(c3)OCO4)c(-c3ccccc3)n2)c1 ZINC000247950885 568746080 /nfs/dbraw/zinc/74/60/80/568746080.db2.gz YFNLNOLTJSJRBX-UHFFFAOYSA-N 1 1 412.493 4.320 50 0 HIAAMO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)cc1 ZINC000248179290 568748183 /nfs/dbraw/zinc/74/81/83/568748183.db2.gz XSMQWJMZWGGRCL-UHFFFAOYSA-N 1 1 420.557 4.154 50 0 HIAAMO C[C@@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022460357 568768485 /nfs/dbraw/zinc/76/84/85/568768485.db2.gz NRFGFEROVBIHSJ-YKSBVNFPSA-N 1 1 419.594 4.426 50 0 HIAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)c1 ZINC000002542258 568781734 /nfs/dbraw/zinc/78/17/34/568781734.db2.gz MZMHOOYTRLOARK-DNQXCXABSA-N 1 1 408.461 4.499 50 0 HIAAMO Cc1cccc([C@@H](CC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)NC(N)=O)c1 ZINC000029880228 568844179 /nfs/dbraw/zinc/84/41/79/568844179.db2.gz JMJXZZKMHPCLQA-HSZRJFAPSA-N 1 1 422.573 4.498 50 0 HIAAMO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)N3CCCC3)cc2)C1 ZINC000230114681 568847504 /nfs/dbraw/zinc/84/75/04/568847504.db2.gz NRUMFMLCAIUGMB-NFBKMPQASA-N 1 1 424.589 4.148 50 0 HIAAMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H](c3ccco3)N3CCCC3)cc2)C1 ZINC000230114681 568847505 /nfs/dbraw/zinc/84/75/05/568847505.db2.gz NRUMFMLCAIUGMB-NFBKMPQASA-N 1 1 424.589 4.148 50 0 HIAAMO C[C@@H](NC(=O)c1ccc(N2CCC([N@@H+](C)Cc3cc[nH]n3)CC2)cc1)c1ccccc1 ZINC000299782911 568875269 /nfs/dbraw/zinc/87/52/69/568875269.db2.gz NMUBEIRPCOOSKQ-LJQANCHMSA-N 1 1 417.557 4.002 50 0 HIAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Nc2ccccc2Cl)CC1 ZINC000058021431 568877861 /nfs/dbraw/zinc/87/78/61/568877861.db2.gz OVYYCRBGTBGDRS-UHFFFAOYSA-N 1 1 407.345 4.246 50 0 HIAAMO COc1ccc2cc(C(=O)C[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)ccc2c1 ZINC000263585101 568878510 /nfs/dbraw/zinc/87/85/10/568878510.db2.gz FBQNZJRZQWETKV-FQEVSTJZSA-N 1 1 419.477 4.388 50 0 HIAAMO COc1ccc2cc(C(=O)C[C@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)ccc2c1 ZINC000263585101 568878511 /nfs/dbraw/zinc/87/85/11/568878511.db2.gz FBQNZJRZQWETKV-FQEVSTJZSA-N 1 1 419.477 4.388 50 0 HIAAMO O=S(=O)(NC[C@H](c1ccccc1)[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000058085734 568883873 /nfs/dbraw/zinc/88/38/73/568883873.db2.gz FFVOBKGPNCGMEG-RUZDIDTESA-N 1 1 418.562 4.496 50 0 HIAAMO O=S(=O)(NC[C@H](c1ccccc1)[N@@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 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569096977 /nfs/dbraw/zinc/09/69/77/569096977.db2.gz OIEZGTOSSNPCFD-UHFFFAOYSA-N 1 1 418.501 4.318 50 0 HIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036145887 569098493 /nfs/dbraw/zinc/09/84/93/569098493.db2.gz JANGWTKBWNVUSY-VXKWHMMOSA-N 1 1 416.949 4.121 50 0 HIAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](C)O)C(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305448 569129567 /nfs/dbraw/zinc/12/95/67/569129567.db2.gz FYSCYPSUZWJGJB-GOSISDBHSA-N 1 1 409.530 4.479 50 0 HIAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](C)O ZINC000036306325 569129790 /nfs/dbraw/zinc/12/97/90/569129790.db2.gz GVLYMVJVJGYFNA-IBGZPJMESA-N 1 1 409.530 4.017 50 0 HIAAMO CCOC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C1CC1 ZINC000036308232 569130424 /nfs/dbraw/zinc/13/04/24/569130424.db2.gz ZDMBRWPSGVQTEX-OAQYLSRUSA-N 1 1 421.541 4.241 50 0 HIAAMO CCC(=O)N(CCC(C)C)Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1 ZINC000036312296 569132736 /nfs/dbraw/zinc/13/27/36/569132736.db2.gz 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COc1ccccc1C[N@H+]1CCOc2ccc([C@](C)(O)COc3ccccc3)cc2C1 ZINC000011979232 558305808 /nfs/dbraw/zinc/30/58/08/558305808.db2.gz JYGXVWAZULUQNX-AREMUKBSSA-N 1 1 419.521 4.376 50 0 HIAAMO O=C(NC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000020149053 558340048 /nfs/dbraw/zinc/34/00/48/558340048.db2.gz OEHKTBYLODRMTA-UHFFFAOYSA-N 1 1 415.562 4.109 50 0 HIAAMO COc1ccc(OC)c(-c2nc(CN3CC[N@H+](C)[C@@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020204232 558346482 /nfs/dbraw/zinc/34/64/82/558346482.db2.gz IWZFUEKXQZHCRN-JOCHJYFZSA-N 1 1 407.514 4.156 50 0 HIAAMO COc1ccc(OC)c(-c2nc(CN3CC[N@@H+](C)[C@@H](c4ccccc4)C3)c(C)o2)c1 ZINC000020204232 558346485 /nfs/dbraw/zinc/34/64/85/558346485.db2.gz IWZFUEKXQZHCRN-JOCHJYFZSA-N 1 1 407.514 4.156 50 0 HIAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@H+](C)CCOc1ccccc1 ZINC000020234936 558350411 /nfs/dbraw/zinc/35/04/11/558350411.db2.gz XRGSUYNCBROVCT-UHFFFAOYSA-N 1 1 420.557 4.170 50 0 HIAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[N@@H+](C)CCOc1ccccc1 ZINC000020234936 558350413 /nfs/dbraw/zinc/35/04/13/558350413.db2.gz XRGSUYNCBROVCT-UHFFFAOYSA-N 1 1 420.557 4.170 50 0 HIAAMO O=C(Nc1cc(Cl)ccc1Cl)N(CCC[NH+]1CCOCC1)Cc1ccccn1 ZINC000020423580 558362194 /nfs/dbraw/zinc/36/21/94/558362194.db2.gz MUENRKYCRHLZKV-UHFFFAOYSA-N 1 1 423.344 4.145 50 0 HIAAMO COc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)CC1 ZINC000020453742 558367781 /nfs/dbraw/zinc/36/77/81/558367781.db2.gz CVCYPUKNJZMMPV-NRFANRHFSA-N 1 1 411.615 4.204 50 0 HIAAMO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cccc(SC)c3)C2)CC1 ZINC000020453742 558367783 /nfs/dbraw/zinc/36/77/83/558367783.db2.gz CVCYPUKNJZMMPV-NRFANRHFSA-N 1 1 411.615 4.204 50 0 HIAAMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012300117 558370090 /nfs/dbraw/zinc/37/00/90/558370090.db2.gz PHUXNENBROMIGZ-FQEVSTJZSA-N 1 1 408.590 4.483 50 0 HIAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000012303438 558373111 /nfs/dbraw/zinc/37/31/11/558373111.db2.gz RFVMNANEWSIVAU-GOSISDBHSA-N 1 1 403.929 4.291 50 0 HIAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000012306045 558374971 /nfs/dbraw/zinc/37/49/71/558374971.db2.gz LBNYBVCBFIWGGN-HXRGIAOBSA-N 1 1 416.525 4.449 50 0 HIAAMO Cc1oc(-c2cccs2)nc1C[NH+]1CCC(n2nccc2NC(=O)C2CC2)CC1 ZINC000012429449 558404125 /nfs/dbraw/zinc/40/41/25/558404125.db2.gz QOBFIJSXFNBVBK-UHFFFAOYSA-N 1 1 411.531 4.094 50 0 HIAAMO CCc1ccc(CN(Cc2ccncc2)CC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000012447926 558415231 /nfs/dbraw/zinc/41/52/31/558415231.db2.gz NMUBKESEDOIYCP-UHFFFAOYSA-N 1 1 410.606 4.045 50 0 HIAAMO COCc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)ccc1OC ZINC000012571272 558429067 /nfs/dbraw/zinc/42/90/67/558429067.db2.gz WIEDCWJHLKYNFD-QGZVFWFLSA-N 1 1 401.478 4.084 50 0 HIAAMO COCc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)ccc1OC ZINC000012571272 558429071 /nfs/dbraw/zinc/42/90/71/558429071.db2.gz WIEDCWJHLKYNFD-QGZVFWFLSA-N 1 1 401.478 4.084 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+](CCCn3cccn3)C2)cc1 ZINC000012577420 558431622 /nfs/dbraw/zinc/43/16/22/558431622.db2.gz GLWYBXSZPVUVQY-NRFANRHFSA-N 1 1 418.541 4.300 50 0 HIAAMO COc1cc(OC)c(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000012579545 558432127 /nfs/dbraw/zinc/43/21/27/558432127.db2.gz DRKBNVPIPQDMBZ-QHCPKHFHSA-N 1 1 419.949 4.183 50 0 HIAAMO COCc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)ccc1OC ZINC000012587420 558434419 /nfs/dbraw/zinc/43/44/19/558434419.db2.gz HNOOJNWCSHIPRM-SFHVURJKSA-N 1 1 401.478 4.084 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1cnc2ccccc2c1 ZINC000012587804 558434683 /nfs/dbraw/zinc/43/46/83/558434683.db2.gz QHOHUAXLELBICQ-IBGZPJMESA-N 1 1 405.517 4.401 50 0 HIAAMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)sc2C1 ZINC000021295577 558435011 /nfs/dbraw/zinc/43/50/11/558435011.db2.gz JFCKZLYWCOHWIY-UHFFFAOYSA-N 1 1 412.540 4.087 50 0 HIAAMO CC[N@H+]1CCc2nc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)sc2C1 ZINC000021295577 558435013 /nfs/dbraw/zinc/43/50/13/558435013.db2.gz JFCKZLYWCOHWIY-UHFFFAOYSA-N 1 1 412.540 4.087 50 0 HIAAMO COC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012612469 558438935 /nfs/dbraw/zinc/43/89/35/558438935.db2.gz STTGWNAQDZKDBQ-GOSISDBHSA-N 1 1 405.498 4.126 50 0 HIAAMO CN(C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)CC(F)(F)F ZINC000012715911 558455186 /nfs/dbraw/zinc/45/51/86/558455186.db2.gz BVHHJCBVLJAXQJ-OAHLLOKOSA-N 1 1 410.402 4.371 50 0 HIAAMO CC(C)N(CC[NH2+]C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C(C)C ZINC000022030110 558459068 /nfs/dbraw/zinc/45/90/68/558459068.db2.gz XWEGKKKIRHQVSS-XMMPIXPASA-N 1 1 412.618 4.461 50 0 HIAAMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1I ZINC000012789392 558464513 /nfs/dbraw/zinc/46/45/13/558464513.db2.gz OTCKKYGHJYDBAZ-UHFFFAOYSA-N 1 1 424.257 4.033 50 0 HIAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)Nc1ccccc1I ZINC000012789392 558464514 /nfs/dbraw/zinc/46/45/14/558464514.db2.gz OTCKKYGHJYDBAZ-UHFFFAOYSA-N 1 1 424.257 4.033 50 0 HIAAMO Cc1onc(-c2ccccc2)c1-c1nnc(CN2CC[NH+](Cc3cccs3)CC2)o1 ZINC000022784481 558510553 /nfs/dbraw/zinc/51/05/53/558510553.db2.gz AFLDQXOIXSFLAB-UHFFFAOYSA-N 1 1 421.526 4.079 50 0 HIAAMO CCOc1ccccc1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000022810899 558514001 /nfs/dbraw/zinc/51/40/01/558514001.db2.gz ZAPKBJXGCIORLR-UHFFFAOYSA-N 1 1 409.555 4.056 50 0 HIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1F ZINC000023337918 558549995 /nfs/dbraw/zinc/54/99/95/558549995.db2.gz PNPHCEPLWAYZRA-MRXNPFEDSA-N 1 1 405.477 4.480 50 0 HIAAMO OCC[C@@H]1CN(C2CCN(c3cccc(Cl)c3)CC2)CC[N@H+]1CC1CCCCC1 ZINC000023373204 558553256 /nfs/dbraw/zinc/55/32/56/558553256.db2.gz LCZMBDBXBKCQSK-XMMPIXPASA-N 1 1 420.041 4.258 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)C1 ZINC000023883266 558580342 /nfs/dbraw/zinc/58/03/42/558580342.db2.gz BUIFRLFLWHYRGC-HNNXBMFYSA-N 1 1 403.935 4.491 50 0 HIAAMO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cs2)c(C)c1 ZINC000024836927 558616178 /nfs/dbraw/zinc/61/61/78/558616178.db2.gz DNXYMLSENASXKH-HXUWFJFHSA-N 1 1 405.567 4.360 50 0 HIAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2c2cccn2C)c2ccccc2)cc1 ZINC000014075432 558617925 /nfs/dbraw/zinc/61/79/25/558617925.db2.gz YVZHOMLUCULGMP-ILBGXUMGSA-N 1 1 403.526 4.076 50 0 HIAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2c2cccn2C)c2ccccc2)cc1 ZINC000014075432 558617928 /nfs/dbraw/zinc/61/79/28/558617928.db2.gz YVZHOMLUCULGMP-ILBGXUMGSA-N 1 1 403.526 4.076 50 0 HIAAMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)sc2nc(-c3ccco3)nc(C)c12 ZINC000024969535 558622936 /nfs/dbraw/zinc/62/29/36/558622936.db2.gz FFQDAPWCNOMETM-CQSZACIVSA-N 1 1 410.499 4.194 50 0 HIAAMO Cc1ccc(CCC2CC[NH+](Cc3nc(CNC(=O)c4ccccc4)no3)CC2)cc1 ZINC000024978887 558624034 /nfs/dbraw/zinc/62/40/34/558624034.db2.gz QHCZMONIAIXITO-UHFFFAOYSA-N 1 1 418.541 4.153 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000014158042 558625877 /nfs/dbraw/zinc/62/58/77/558625877.db2.gz WQKJNAVPBCYJLM-INIZCTEOSA-N 1 1 423.538 4.276 50 0 HIAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc2c(c1)OCCCO2 ZINC000014158042 558625879 /nfs/dbraw/zinc/62/58/79/558625879.db2.gz WQKJNAVPBCYJLM-INIZCTEOSA-N 1 1 423.538 4.276 50 0 HIAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccc(OC)cc3)ccc21 ZINC000026121168 558655727 /nfs/dbraw/zinc/65/57/27/558655727.db2.gz KGVLNQJQJOJCOE-UHFFFAOYSA-N 1 1 422.529 4.068 50 0 HIAAMO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000026440978 558660980 /nfs/dbraw/zinc/66/09/80/558660980.db2.gz CGWXYTRJEOOLSG-UHFFFAOYSA-N 1 1 400.309 4.500 50 0 HIAAMO O=C(CCc1cccs1)NCC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000014990439 558694043 /nfs/dbraw/zinc/69/40/43/558694043.db2.gz DYDGZGNHYMHJIX-QHCPKHFHSA-N 1 1 406.551 4.433 50 0 HIAAMO Cc1cccc(C[N@@H+]2C[C@@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)NC(C)C)c1 ZINC000014992348 558694907 /nfs/dbraw/zinc/69/49/07/558694907.db2.gz SUXUBKSPKPRGKI-RXVVDRJESA-N 1 1 408.571 4.131 50 0 HIAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028288937 558695740 /nfs/dbraw/zinc/69/57/40/558695740.db2.gz GMZNPPRPWZUWHK-MRXNPFEDSA-N 1 1 416.930 4.465 50 0 HIAAMO CCN1CC[NH+](C2(CNC(=O)c3oc4cc(C)cc(C)c4c3C)CCCCC2)CC1 ZINC000028290659 558696857 /nfs/dbraw/zinc/69/68/57/558696857.db2.gz GUPXDIMOBVVMMQ-UHFFFAOYSA-N 1 1 411.590 4.428 50 0 HIAAMO CCN1CC[NH+](C2(CNC(=O)c3oc4ccc(Cl)cc4c3C)CCCCC2)CC1 ZINC000028293571 558698557 /nfs/dbraw/zinc/69/85/57/558698557.db2.gz YVGMCGLYENQMHR-UHFFFAOYSA-N 1 1 417.981 4.465 50 0 HIAAMO COc1cccc([C@@H](C)[N@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)c1 ZINC000015063932 558706661 /nfs/dbraw/zinc/70/66/61/558706661.db2.gz SSQHCSMUQTYHSV-MRXNPFEDSA-N 1 1 412.559 4.224 50 0 HIAAMO COc1cccc([C@@H](C)[N@@H+](C)Cc2c(C(=O)N3CCCCC3)nc3sccn23)c1 ZINC000015063932 558706664 /nfs/dbraw/zinc/70/66/64/558706664.db2.gz SSQHCSMUQTYHSV-MRXNPFEDSA-N 1 1 412.559 4.224 50 0 HIAAMO O=C(CC[C@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015077445 558717193 /nfs/dbraw/zinc/71/71/93/558717193.db2.gz DJQBMYYNMRACEK-AREMUKBSSA-N 1 1 419.613 4.066 50 0 HIAAMO COc1cccc(NC(=O)[C@@H]([NH2+][C@H](C)c2ccc3c(c2)OCO3)c2ccccc2)c1 ZINC000030500894 558731021 /nfs/dbraw/zinc/73/10/21/558731021.db2.gz IVXPLJGXRBRKEO-MWTRTKDXSA-N 1 1 404.466 4.455 50 0 HIAAMO COc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)cc1Cl ZINC000072294164 558738584 /nfs/dbraw/zinc/73/85/84/558738584.db2.gz WOBRXMGDTGSBIN-MRXNPFEDSA-N 1 1 417.937 4.486 50 0 HIAAMO COc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)cc1Cl ZINC000072294165 558738612 /nfs/dbraw/zinc/73/86/12/558738612.db2.gz WOBRXMGDTGSBIN-INIZCTEOSA-N 1 1 417.937 4.486 50 0 HIAAMO CCOc1cc(C[N@H+]2CCCCC[C@H]2c2ccc(C)s2)ccc1OCC(N)=O ZINC000033087233 558760546 /nfs/dbraw/zinc/76/05/46/558760546.db2.gz KJQDTPNEYHOOIE-SFHVURJKSA-N 1 1 402.560 4.437 50 0 HIAAMO CC(=O)Nc1ccc(OC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000060241942 558789445 /nfs/dbraw/zinc/78/94/45/558789445.db2.gz OUNGZDGWKWDZJT-FQEVSTJZSA-N 1 1 406.404 4.005 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)O2 ZINC000032984075 558805082 /nfs/dbraw/zinc/80/50/82/558805082.db2.gz PPVHHDMIHIEKHN-PAJXCOJRSA-N 1 1 419.525 4.053 50 0 HIAAMO COC(=O)c1ccc(CN2CC[C@@H]([N@H+]3CCC[C@H](c4ccccc4)C3)CCC2=O)cc1 ZINC000039557909 558822459 /nfs/dbraw/zinc/82/24/59/558822459.db2.gz ZZLZHMWVQJFKAB-ZEQRLZLVSA-N 1 1 420.553 4.234 50 0 HIAAMO C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000033015063 558834389 /nfs/dbraw/zinc/83/43/89/558834389.db2.gz XGXAWKQKLFEYCX-QHCPKHFHSA-N 1 1 419.521 4.057 50 0 HIAAMO COc1cc(OC)c(OC)cc1CN(C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000019300524 558866520 /nfs/dbraw/zinc/86/65/20/558866520.db2.gz QQHFJQFUKURFTK-JOCHJYFZSA-N 1 1 412.574 4.241 50 0 HIAAMO CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1C[NH2+]Cc1ccc(F)cc1F ZINC000055088441 558871724 /nfs/dbraw/zinc/87/17/24/558871724.db2.gz VRSVWPGMPMMODE-UHFFFAOYSA-N 1 1 420.463 4.175 50 0 HIAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000004689284 558899335 /nfs/dbraw/zinc/89/93/35/558899335.db2.gz RYKZIJDNXVDKHS-WMLDXEAASA-N 1 1 422.451 4.047 50 0 HIAAMO COc1ccc([C@H]([NH2+]CC(=O)NC(=O)Nc2ccc(C)cc2C)c2ccccc2)cc1 ZINC000058157228 558903270 /nfs/dbraw/zinc/90/32/70/558903270.db2.gz DWFRQEGXAWBZJG-XMMPIXPASA-N 1 1 417.509 4.339 50 0 HIAAMO O=C1CCCN1CCC[NH+]1CCN(Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000058167943 558907464 /nfs/dbraw/zinc/90/74/64/558907464.db2.gz ILEAYMCNVUCOQQ-UHFFFAOYSA-N 1 1 418.006 4.199 50 0 HIAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000059595190 558937828 /nfs/dbraw/zinc/93/78/28/558937828.db2.gz APFCHTDTAYQWLX-UHFFFAOYSA-N 1 1 416.525 4.053 50 0 HIAAMO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1[nH]nc2ccccc21 ZINC000060063497 558940823 /nfs/dbraw/zinc/94/08/23/558940823.db2.gz BTCGVNJZOWPIHW-UHFFFAOYSA-N 1 1 405.329 4.464 50 0 HIAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](C/C=C/c4ccccc4)C3)C2=O)c1OC ZINC000072429563 558979137 /nfs/dbraw/zinc/97/91/37/558979137.db2.gz DRCHLXCKNNMAFX-DICASGCDSA-N 1 1 420.553 4.232 50 0 HIAAMO Cc1c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576172 558979501 /nfs/dbraw/zinc/97/95/01/558979501.db2.gz PNZHAWYWOLWYAC-RTWAWAEBSA-N 1 1 405.542 4.111 50 0 HIAAMO CCN1CC[NH+](Cc2cc3ccc(C)cc3nc2-c2ccc(OC)c(OC)c2)CC1 ZINC000072447510 558982661 /nfs/dbraw/zinc/98/26/61/558982661.db2.gz HXXJHEMTPJAMLR-UHFFFAOYSA-N 1 1 405.542 4.365 50 0 HIAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072457826 558983181 /nfs/dbraw/zinc/98/31/81/558983181.db2.gz HKUWJTOQQSOFHU-IBGZPJMESA-N 1 1 405.498 4.400 50 0 HIAAMO OC[C@H]1CCC[N@@H+](Cc2cc3cc4c(cc3nc2-c2ccc(Cl)cc2)OCO4)C1 ZINC000072474212 558983511 /nfs/dbraw/zinc/98/35/11/558983511.db2.gz UXWKNKHSFQMOHY-HNNXBMFYSA-N 1 1 410.901 4.488 50 0 HIAAMO C[C@@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031403 558985431 /nfs/dbraw/zinc/98/54/31/558985431.db2.gz XKMHUPMHVSUKQK-OXQOHEQNSA-N 1 1 402.995 4.004 50 0 HIAAMO CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022436688 558991830 /nfs/dbraw/zinc/99/18/30/558991830.db2.gz OXQXJECFFYHTJM-UHFFFAOYSA-N 1 1 422.356 4.167 50 0 HIAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccn(C)n3)c2-c2nc3ccccc3s2)C1 ZINC000023128150 559016321 /nfs/dbraw/zinc/01/63/21/559016321.db2.gz XPXQXIRHTMKOAT-UHFFFAOYSA-N 1 1 423.567 4.389 50 0 HIAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccn(C)n3)c2-c2nc3ccccc3s2)C1 ZINC000023128150 559016322 /nfs/dbraw/zinc/01/63/22/559016322.db2.gz XPXQXIRHTMKOAT-UHFFFAOYSA-N 1 1 423.567 4.389 50 0 HIAAMO Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000082138540 559040500 /nfs/dbraw/zinc/04/05/00/559040500.db2.gz MRFFDFQYWWITLN-VWLOTQADSA-N 1 1 419.613 4.030 50 0 HIAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c(OC)c1 ZINC000033326676 559059460 /nfs/dbraw/zinc/05/94/60/559059460.db2.gz IBBNMQLSXQECCZ-UHFFFAOYSA-N 1 1 422.489 4.256 50 0 HIAAMO COc1ccc(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c(OC)c1 ZINC000033326676 559059461 /nfs/dbraw/zinc/05/94/61/559059461.db2.gz IBBNMQLSXQECCZ-UHFFFAOYSA-N 1 1 422.489 4.256 50 0 HIAAMO O=C(Nc1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1)c1ccco1 ZINC000023629171 559178446 /nfs/dbraw/zinc/17/84/46/559178446.db2.gz FVWNEVUHNIPMNC-QHCPKHFHSA-N 1 1 417.509 4.375 50 0 HIAAMO COc1ccc2cc3cc(C(=O)NCC[N@@H+](C)Cc4ccccc4)sc3nc2c1 ZINC000004900168 559199314 /nfs/dbraw/zinc/19/93/14/559199314.db2.gz HNTNTNFDFALUPJ-UHFFFAOYSA-N 1 1 405.523 4.320 50 0 HIAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000046615719 560559493 /nfs/dbraw/zinc/55/94/93/560559493.db2.gz XYRCZVNVNFDVGA-WMZHIEFXSA-N 1 1 419.569 4.268 50 0 HIAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cc(C)ccc4C)CC3)n2)cc1 ZINC000049403456 560804831 /nfs/dbraw/zinc/80/48/31/560804831.db2.gz LWRVBSKFHFWNSY-UHFFFAOYSA-N 1 1 420.513 4.180 50 0 HIAAMO O=C(Nc1cccc2c1CCCC2)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000051317133 560857163 /nfs/dbraw/zinc/85/71/63/560857163.db2.gz BLMSJCCXQZXMEY-UHFFFAOYSA-N 1 1 416.525 4.466 50 0 HIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104983522 560859283 /nfs/dbraw/zinc/85/92/83/560859283.db2.gz JANGWTKBWNVUSY-FCHUYYIVSA-N 1 1 416.949 4.121 50 0 HIAAMO Cc1ccc(C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2)C[C@@H]2CCCO2)c(C)c1 ZINC000105750451 560877357 /nfs/dbraw/zinc/87/73/57/560877357.db2.gz KMJNBVKULZSWQF-GGAORHGYSA-N 1 1 403.950 4.378 50 0 HIAAMO CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000048066008 568431849 /nfs/dbraw/zinc/43/18/49/568431849.db2.gz AZLFHJLWOLEZRK-SDNWHVSQSA-N 1 1 407.514 4.003 50 0 HIAAMO CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000048346111 568440989 /nfs/dbraw/zinc/44/09/89/568440989.db2.gz JHTFITXLDZPVDA-SDNWHVSQSA-N 1 1 421.541 4.311 50 0 HIAAMO COc1ccc([C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(C)C)cc1OC ZINC000604403936 568492312 /nfs/dbraw/zinc/49/23/12/568492312.db2.gz FFHNLCCMOAAXKP-MIZPHKNDSA-N 1 1 417.594 4.307 50 0 HIAAMO O=C(Nc1ccccc1)c1ccc(CN2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000022791895 568499624 /nfs/dbraw/zinc/49/96/24/568499624.db2.gz JMAVXTJFIICKHU-UHFFFAOYSA-N 1 1 415.537 4.136 50 0 HIAAMO COc1cc(OC)c(NC(=O)N2CCC(C[N@H+]3CCC[C@H](C)C3)CC2)cc1Cl ZINC000033312161 568513702 /nfs/dbraw/zinc/51/37/02/568513702.db2.gz IQDLJMUEFDUSDS-HNNXBMFYSA-N 1 1 409.958 4.333 50 0 HIAAMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)C1 ZINC000222058349 568513954 /nfs/dbraw/zinc/51/39/54/568513954.db2.gz ITDHDBLCBYQMEP-OXJNMPFZSA-N 1 1 414.937 4.262 50 0 HIAAMO COc1cc(-c2noc(CN[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)n2)ccc1C ZINC000095462679 568621747 /nfs/dbraw/zinc/62/17/47/568621747.db2.gz FJFPICVKRZYQGR-INIZCTEOSA-N 1 1 403.486 4.399 50 0 HIAAMO Cc1ncc(C[NH2+]Cc2ccco2)c2cc(C(=O)c3ccc4c(c3)OCCO4)oc21 ZINC000095474037 568629115 /nfs/dbraw/zinc/62/91/15/568629115.db2.gz IHJMVOQVBAEIFR-UHFFFAOYSA-N 1 1 404.422 4.021 50 0 HIAAMO Cc1cc(C2CC[NH+]([C@@H](C)CC(=O)Nc3cccc(Br)c3)CC2)n[nH]1 ZINC000095940887 568661744 /nfs/dbraw/zinc/66/17/44/568661744.db2.gz KNPBSWCTLGTVJA-AWEZNQCLSA-N 1 1 405.340 4.077 50 0 HIAAMO CC(C)n1c2ccccc2nc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000095941363 568661957 /nfs/dbraw/zinc/66/19/57/568661957.db2.gz SMEQSIAYBSXUKS-JENIJYKNSA-N 1 1 406.530 4.296 50 0 HIAAMO CC1(C)C[N@H+](C[C@H](O)c2ccccc2Cl)CCN1C[C@H](O)c1ccccc1Cl ZINC000225721808 568667905 /nfs/dbraw/zinc/66/79/05/568667905.db2.gz UADBEPZEVULDNG-SFTDATJTSA-N 1 1 423.384 4.157 50 0 HIAAMO CC1(C)C[N@@H+](C[C@H](O)c2ccccc2Cl)CCN1C[C@H](O)c1ccccc1Cl ZINC000225721808 568667908 /nfs/dbraw/zinc/66/79/08/568667908.db2.gz UADBEPZEVULDNG-SFTDATJTSA-N 1 1 423.384 4.157 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)CSc1ncnc2c1sc1cccc(F)c12 ZINC000021153444 568672723 /nfs/dbraw/zinc/67/27/23/568672723.db2.gz PWRMGHUYTDUMMX-CYBMUJFWSA-N 1 1 418.563 4.066 50 0 HIAAMO COc1ccc(CCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cc1 ZINC000012387582 568681707 /nfs/dbraw/zinc/68/17/07/568681707.db2.gz WUPQIHZXSQHRAO-AREMUKBSSA-N 1 1 406.570 4.185 50 0 HIAAMO CCOC(=O)/C=C\c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000096130074 568701842 /nfs/dbraw/zinc/70/18/42/568701842.db2.gz AZLFHJLWOLEZRK-KAMYIIQDSA-N 1 1 407.514 4.003 50 0 HIAAMO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000229892755 568715863 /nfs/dbraw/zinc/71/58/63/568715863.db2.gz FFYYNQPIBDUSQY-PBXXJUDPSA-N 1 1 420.553 4.170 50 0 HIAAMO CC[NH+]1CCN(c2nn3c(nc(-c4ccc(Cl)cc4)c3NC(C)(C)C)s2)CC1 ZINC000021703094 568742231 /nfs/dbraw/zinc/74/22/31/568742231.db2.gz HOJNEJOWQLJHJF-UHFFFAOYSA-N 1 1 418.998 4.464 50 0 HIAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCCCC1 ZINC000247867733 568745900 /nfs/dbraw/zinc/74/59/00/568745900.db2.gz PHJXUZBKCIBVRC-LJQANCHMSA-N 1 1 420.532 4.389 50 0 HIAAMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)cc1 ZINC000248118201 568747762 /nfs/dbraw/zinc/74/77/62/568747762.db2.gz UEBBKKQBHLAREA-UHFFFAOYSA-N 1 1 404.558 4.454 50 0 HIAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)cc1 ZINC000248182937 568748166 /nfs/dbraw/zinc/74/81/66/568748166.db2.gz ZQEZDZGMXFEYOW-UHFFFAOYSA-N 1 1 406.530 4.477 50 0 HIAAMO CCn1c(C[NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)nc2ccccc21 ZINC000249703437 568748618 /nfs/dbraw/zinc/74/86/18/568748618.db2.gz ZXMCJHKFMJALEW-UHFFFAOYSA-N 1 1 410.949 4.238 50 0 HIAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)[nH+]1 ZINC000021795826 568753763 /nfs/dbraw/zinc/75/37/63/568753763.db2.gz CQNRATYWCRKPQB-UHFFFAOYSA-N 1 1 420.473 4.010 50 0 HIAAMO Cc1nc(Nc2ccc(NC(=O)Nc3ccc4c(c3)OCCO4)cc2)cc(N(C)C)[nH+]1 ZINC000021795826 568753764 /nfs/dbraw/zinc/75/37/64/568753764.db2.gz CQNRATYWCRKPQB-UHFFFAOYSA-N 1 1 420.473 4.010 50 0 HIAAMO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)nc2ccccc21 ZINC000253612881 568755344 /nfs/dbraw/zinc/75/53/44/568755344.db2.gz COJPSGFRVOYMCV-CQSZACIVSA-N 1 1 400.885 4.217 50 0 HIAAMO Cn1c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)C2)nc2ccccc21 ZINC000253612881 568755347 /nfs/dbraw/zinc/75/53/47/568755347.db2.gz COJPSGFRVOYMCV-CQSZACIVSA-N 1 1 400.885 4.217 50 0 HIAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(C)cc3Cl)s2)CC1 ZINC000021880879 568757096 /nfs/dbraw/zinc/75/70/96/568757096.db2.gz INJDZEDWBOANIP-UHFFFAOYSA-N 1 1 416.982 4.045 50 0 HIAAMO C[C@H](NC(=O)c1ccccc1)[C@@H](c1cccs1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022460351 568768380 /nfs/dbraw/zinc/76/83/80/568768380.db2.gz NRFGFEROVBIHSJ-RDPSFJRHSA-N 1 1 419.594 4.426 50 0 HIAAMO Fc1ccc(Cn2nc(C[NH2+]Cc3ccncc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492490 568820432 /nfs/dbraw/zinc/82/04/32/568820432.db2.gz CWVAJBKOOGQXCW-UHFFFAOYSA-N 1 1 407.880 4.471 50 0 HIAAMO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000057318533 568826904 /nfs/dbraw/zinc/82/69/04/568826904.db2.gz LZEWJMNYNGWCOE-OAQYLSRUSA-N 1 1 412.486 4.300 50 0 HIAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 ZINC000057435045 568836641 /nfs/dbraw/zinc/83/66/41/568836641.db2.gz FDKXSPVYFTXQRF-QHCPKHFHSA-N 1 1 419.550 4.266 50 0 HIAAMO Cc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1 ZINC000057882191 568865392 /nfs/dbraw/zinc/86/53/92/568865392.db2.gz QEZKFXSFTORTRB-VWLOTQADSA-N 1 1 413.521 4.205 50 0 HIAAMO COC(=O)c1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000012599255 568869489 /nfs/dbraw/zinc/86/94/89/568869489.db2.gz HRTHYZRRSNHYSP-JOCHJYFZSA-N 1 1 408.885 4.444 50 0 HIAAMO O=C([O-])CC[C@H]1C[N@@H+](CC(c2ccccc2)c2ccccc2)CC[C@H]1[NH+]1CCCC1 ZINC000299769418 568873989 /nfs/dbraw/zinc/87/39/89/568873989.db2.gz NHIPJVMYFKHQJW-UKILVPOCSA-N 1 1 406.570 4.470 50 0 HIAAMO COc1ccc(CCN2C(=O)CC[C@@H]3C[N@H+](Cc4ccccc4Cl)CC[C@@H]32)cc1 ZINC000299790532 568875770 /nfs/dbraw/zinc/87/57/70/568875770.db2.gz CKXBRDCABBYHJK-OFNKIYASSA-N 1 1 412.961 4.404 50 0 HIAAMO Cn1c2c(c3c1CC[N@H+](C)[C@@H]3c1ccccc1F)[C@@H](c1ccccc1F)N(C)CC2 ZINC000001247489 568908585 /nfs/dbraw/zinc/90/85/85/568908585.db2.gz OPDVBRFXDTXMET-JWQCQUIFSA-N 1 1 407.508 4.458 50 0 HIAAMO Cn1c2c(c3c1CC[N@@H+](C)[C@@H]3c1ccccc1F)[C@@H](c1ccccc1F)N(C)CC2 ZINC000001247489 568908586 /nfs/dbraw/zinc/90/85/86/568908586.db2.gz OPDVBRFXDTXMET-JWQCQUIFSA-N 1 1 407.508 4.458 50 0 HIAAMO COCc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917936 /nfs/dbraw/zinc/91/79/36/568917936.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 1 1 402.510 4.062 50 0 HIAAMO COCc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917939 /nfs/dbraw/zinc/91/79/39/568917939.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 1 1 402.510 4.062 50 0 HIAAMO COCc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2cc(OC)ccc2F)C3)o1 ZINC000012717702 568917940 /nfs/dbraw/zinc/91/79/40/568917940.db2.gz QXCIKMVXTWVPKI-QHCPKHFHSA-N 1 1 402.510 4.062 50 0 HIAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(CN3CCC(C)CC3)o2)C1 ZINC000670455446 568930759 /nfs/dbraw/zinc/93/07/59/568930759.db2.gz WBVTWGCWNFSJLJ-OAQYLSRUSA-N 1 1 409.574 4.039 50 0 HIAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2ccc(CN3CCC(C)CC3)o2)C1 ZINC000670455446 568930762 /nfs/dbraw/zinc/93/07/62/568930762.db2.gz WBVTWGCWNFSJLJ-OAQYLSRUSA-N 1 1 409.574 4.039 50 0 HIAAMO Cc1ccc(-c2cnc(CCC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1C ZINC000012756252 568943048 /nfs/dbraw/zinc/94/30/48/568943048.db2.gz CLVGGEUWQXLGOJ-QFIPXVFZSA-N 1 1 403.526 4.282 50 0 HIAAMO CCc1ccc(Cl)c(CC)c1NC(=O)C[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000012759957 568943980 /nfs/dbraw/zinc/94/39/80/568943980.db2.gz KOHGNPMWANUUDW-UHFFFAOYSA-N 1 1 419.997 4.128 50 0 HIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000004315265 568961700 /nfs/dbraw/zinc/96/17/00/568961700.db2.gz JFPLJLHVSOFDNT-UHFFFAOYSA-N 1 1 418.419 4.280 50 0 HIAAMO Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c(C)c1 ZINC000015671317 568961777 /nfs/dbraw/zinc/96/17/77/568961777.db2.gz CKNHMWXAYXRGOL-UHFFFAOYSA-N 1 1 411.531 4.012 50 0 HIAAMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc2ccccc2c1 ZINC000007987031 568965106 /nfs/dbraw/zinc/96/51/06/568965106.db2.gz OJULKRHLCSHBIU-UHFFFAOYSA-N 1 1 405.889 4.144 50 0 HIAAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc2ccccc2c1 ZINC000007987031 568965108 /nfs/dbraw/zinc/96/51/08/568965108.db2.gz OJULKRHLCSHBIU-UHFFFAOYSA-N 1 1 405.889 4.144 50 0 HIAAMO Cc1ccc(-n2ncc(C(=O)NCCC[N@H+](C)C3CCCCC3)c2-n2cccc2)cc1 ZINC000015681280 568967932 /nfs/dbraw/zinc/96/79/32/568967932.db2.gz SFTLGIWBFPMDEQ-UHFFFAOYSA-N 1 1 419.573 4.356 50 0 HIAAMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(C(=O)N3CCCCC3)CC2)cc1 ZINC000012793008 568969270 /nfs/dbraw/zinc/96/92/70/568969270.db2.gz PWZGZOWXJRPHOE-XMMPIXPASA-N 1 1 419.569 4.399 50 0 HIAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000008076317 568972674 /nfs/dbraw/zinc/97/26/74/568972674.db2.gz QGZUUTMSSACSEK-OAHLLOKOSA-N 1 1 423.538 4.274 50 0 HIAAMO C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000008261523 568985733 /nfs/dbraw/zinc/98/57/33/568985733.db2.gz WXWDNSFQAZMDED-RDJZCZTQSA-N 1 1 423.538 4.082 50 0 HIAAMO C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000008261523 568985735 /nfs/dbraw/zinc/98/57/35/568985735.db2.gz WXWDNSFQAZMDED-RDJZCZTQSA-N 1 1 423.538 4.082 50 0 HIAAMO Cc1cc([C@@H](c2ccc(F)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546412 569000273 /nfs/dbraw/zinc/00/02/73/569000273.db2.gz LXVHLDTYABEVBD-HXUWFJFHSA-N 1 1 413.518 4.378 50 0 HIAAMO Cc1nn2c(nc(N[C@@H](C[NH+]3CCOCC3)c3ccccc3)c3ccccc32)c1Cl ZINC000012849991 569010327 /nfs/dbraw/zinc/01/03/27/569010327.db2.gz FMVCLRSAYXPKDV-IBGZPJMESA-N 1 1 421.932 4.330 50 0 HIAAMO CC[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C[C@H]1COc2ccccc2O1 ZINC000012859938 569011535 /nfs/dbraw/zinc/01/15/35/569011535.db2.gz IQBOCSPNFSEFAP-AWEZNQCLSA-N 1 1 409.313 4.484 50 0 HIAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012879078 569014088 /nfs/dbraw/zinc/01/40/88/569014088.db2.gz ONWFXIKSZHVSJA-JKSUJKDBSA-N 1 1 415.921 4.026 50 0 HIAAMO COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000012879078 569014089 /nfs/dbraw/zinc/01/40/89/569014089.db2.gz ONWFXIKSZHVSJA-JKSUJKDBSA-N 1 1 415.921 4.026 50 0 HIAAMO Cc1nn2c(nc(NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)c3ccccc32)c1Cl ZINC000012879778 569014425 /nfs/dbraw/zinc/01/44/25/569014425.db2.gz FFUHGAHMPSQIIY-SFHVURJKSA-N 1 1 421.932 4.157 50 0 HIAAMO Cc1nn2c(nc(NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c3ccccc32)c1Cl ZINC000012879778 569014426 /nfs/dbraw/zinc/01/44/26/569014426.db2.gz FFUHGAHMPSQIIY-SFHVURJKSA-N 1 1 421.932 4.157 50 0 HIAAMO CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 ZINC000016044488 569028255 /nfs/dbraw/zinc/02/82/55/569028255.db2.gz NJKHRSJAFYFJLP-QZTJIDSGSA-N 1 1 412.555 4.314 50 0 HIAAMO Cc1ccccc1N1C(=O)C[C@H]([N@@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000229482997 569040524 /nfs/dbraw/zinc/04/05/24/569040524.db2.gz SXPGLWIDSRWUPR-APWZRJJASA-N 1 1 405.523 4.116 50 0 HIAAMO Cc1ccccc1N1C(=O)C[C@H]([N@H+]2CCC[C@@H](c3nc4ccccc4s3)C2)C1=O ZINC000229482997 569040525 /nfs/dbraw/zinc/04/05/25/569040525.db2.gz SXPGLWIDSRWUPR-APWZRJJASA-N 1 1 405.523 4.116 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000229658157 569040660 /nfs/dbraw/zinc/04/06/60/569040660.db2.gz OMBVAYKTPDFKIQ-QKKBWIMNSA-N 1 1 405.491 4.270 50 0 HIAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000229658157 569040661 /nfs/dbraw/zinc/04/06/61/569040661.db2.gz OMBVAYKTPDFKIQ-QKKBWIMNSA-N 1 1 405.491 4.270 50 0 HIAAMO C[N@@H+](CCNC(=O)c1ccc2cnn(Cc3ccc(F)cc3)c2c1)C1CCCCC1 ZINC000035560095 569044907 /nfs/dbraw/zinc/04/49/07/569044907.db2.gz ARHAYUQTCYSUQQ-UHFFFAOYSA-N 1 1 408.521 4.218 50 0 HIAAMO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000089420073 569060129 /nfs/dbraw/zinc/06/01/29/569060129.db2.gz FFYYNQPIBDUSQY-QFZRFWILSA-N 1 1 420.553 4.170 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2c(-c3ccccc3)csc2NC(=O)c2ccccc2)CC1 ZINC000054214564 569061238 /nfs/dbraw/zinc/06/12/38/569061238.db2.gz BNPDGJJVRVGEOK-UHFFFAOYSA-N 1 1 419.550 4.445 50 0 HIAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H](O)COCc2ccco2)c1 ZINC000036031957 569081088 /nfs/dbraw/zinc/08/10/88/569081088.db2.gz SMJFJQIWZAJRBF-JOCHJYFZSA-N 1 1 423.509 4.205 50 0 HIAAMO CCOC(=O)[C@@H]1CCCN(c2c(C(=O)c3ccccc3)c[nH+]c3ccc(OC)cc32)C1 ZINC000036058111 569084651 /nfs/dbraw/zinc/08/46/51/569084651.db2.gz RPXDUOBDXQGUDN-GOSISDBHSA-N 1 1 418.493 4.254 50 0 HIAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccncc3)co2)[C@H](C)C(C)C)c1 ZINC000036065571 569085816 /nfs/dbraw/zinc/08/58/16/569085816.db2.gz JANXAHRBWMCTCK-GOSISDBHSA-N 1 1 422.529 4.055 50 0 HIAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccncc3)co2)[C@H](C)C(C)C)c1 ZINC000036065571 569085817 /nfs/dbraw/zinc/08/58/17/569085817.db2.gz JANXAHRBWMCTCK-GOSISDBHSA-N 1 1 422.529 4.055 50 0 HIAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)C(C)C)c1 ZINC000036065580 569085879 /nfs/dbraw/zinc/08/58/79/569085879.db2.gz CWUOKTSRRZXXCB-KRWDZBQOSA-N 1 1 411.502 4.253 50 0 HIAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccco3)co2)[C@@H](C)C(C)C)c1 ZINC000036065580 569085880 /nfs/dbraw/zinc/08/58/80/569085880.db2.gz CWUOKTSRRZXXCB-KRWDZBQOSA-N 1 1 411.502 4.253 50 0 HIAAMO COc1cccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)c1OC ZINC000036103787 569092331 /nfs/dbraw/zinc/09/23/31/569092331.db2.gz CXANNWRXPHZVDH-FQEVSTJZSA-N 1 1 405.510 4.021 50 0 HIAAMO COc1cccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)COC(C)(C)C)c1OC ZINC000036103787 569092332 /nfs/dbraw/zinc/09/23/32/569092332.db2.gz CXANNWRXPHZVDH-FQEVSTJZSA-N 1 1 405.510 4.021 50 0 HIAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801552 569097846 /nfs/dbraw/zinc/09/78/46/569097846.db2.gz IXACKTRWFPUEDD-UHFFFAOYSA-N 1 1 422.464 4.148 50 0 HIAAMO O=C1N[C@H](c2ccc3c(c2)OCO3)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000006732676 569103881 /nfs/dbraw/zinc/10/38/81/569103881.db2.gz PXANJWAIEGGWLM-NRFANRHFSA-N 1 1 419.506 4.464 50 0 HIAAMO O=C1N[C@H](c2ccc3c(c2)OCO3)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000006732676 569103883 /nfs/dbraw/zinc/10/38/83/569103883.db2.gz PXANJWAIEGGWLM-NRFANRHFSA-N 1 1 419.506 4.464 50 0 HIAAMO Cc1sc2nc(C[N@@H+](CCC(C)C)C[C@H](O)Cc3ccccc3)[nH]c(=O)c2c1C ZINC000036204766 569109730 /nfs/dbraw/zinc/10/97/30/569109730.db2.gz TXYSVEROIFWJCH-LJQANCHMSA-N 1 1 413.587 4.053 50 0 HIAAMO COc1ccc([C@@H](CNC(=O)CCC(=O)c2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000006785343 569121646 /nfs/dbraw/zinc/12/16/46/569121646.db2.gz JSRKYIBHJBPVIJ-QGZVFWFLSA-N 1 1 420.962 4.326 50 0 HIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)C1 ZINC000064968472 569138002 /nfs/dbraw/zinc/13/80/02/569138002.db2.gz RMSNLPMIUVCZCG-KRWDZBQOSA-N 1 1 409.505 4.410 50 0 HIAAMO COc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@H](c3ccccc3F)C2)c1 ZINC000036341521 569141980 /nfs/dbraw/zinc/14/19/80/569141980.db2.gz FBNLNXKWUIVBNV-HXOBKFHXSA-N 1 1 409.505 4.386 50 0 HIAAMO COc1ccc(OC)c(NC(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000006877387 569164200 /nfs/dbraw/zinc/16/42/00/569164200.db2.gz WFLHNEZRPVAMFL-GOSISDBHSA-N 1 1 409.530 4.006 50 0 HIAAMO CCn1nc(C)c2c1nc(-c1ccc(C)cc1)cc2C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000036613596 569209286 /nfs/dbraw/zinc/20/92/86/569209286.db2.gz PQALVYFCEBIBTP-IHWFROFDSA-N 1 1 417.557 4.090 50 0 HIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)cc1 ZINC000017042620 569272407 /nfs/dbraw/zinc/27/24/07/569272407.db2.gz HCPRYUXKEVNATR-UHFFFAOYSA-N 1 1 421.932 4.453 50 0 HIAAMO COc1c2c(cc3c1[C@@H](c1c[nH]c4ccc(Br)cc41)[N@H+](C)CC3)OCO2 ZINC000002087464 569279930 /nfs/dbraw/zinc/27/99/30/569279930.db2.gz CSNGBZUOLRSAJP-GOSISDBHSA-N 1 1 415.287 4.245 50 0 biogenic HIAAMO COc1c2c(cc3c1[C@@H](c1c[nH]c4ccc(Br)cc41)[N@@H+](C)CC3)OCO2 ZINC000002087464 569279932 /nfs/dbraw/zinc/27/99/32/569279932.db2.gz CSNGBZUOLRSAJP-GOSISDBHSA-N 1 1 415.287 4.245 50 0 biogenic HIAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCC(c2ccccc2)=N1 ZINC000007607200 569295334 /nfs/dbraw/zinc/29/53/34/569295334.db2.gz RPVSFDYCOAOPCQ-GOSISDBHSA-N 1 1 404.539 4.112 50 0 HIAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)N1CCC(c2ccccc2)=N1 ZINC000007607200 569295335 /nfs/dbraw/zinc/29/53/35/569295335.db2.gz RPVSFDYCOAOPCQ-GOSISDBHSA-N 1 1 404.539 4.112 50 0 HIAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(C)c1C[NH+]1CCCCC1 ZINC000002205191 569296262 /nfs/dbraw/zinc/29/62/62/569296262.db2.gz MTUAPGDJRRQAHE-UHFFFAOYSA-N 1 1 409.324 4.112 50 0 HIAAMO COc1ccc([C@@H]2c3cc4c(cc3O[C@](C)([NH+]3CCCC3)[C@H]2C)OCO4)c(OC)c1 ZINC000017729546 569357161 /nfs/dbraw/zinc/35/71/61/569357161.db2.gz CXJCSMSERSADKZ-XXEARWCOSA-N 1 1 411.498 4.405 50 0 HIAAMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000253425874 569368062 /nfs/dbraw/zinc/36/80/62/569368062.db2.gz WEWUEQIUJSIBED-PDWMJMLSSA-N 1 1 409.368 4.039 50 0 HIAAMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000253425874 569368064 /nfs/dbraw/zinc/36/80/64/569368064.db2.gz WEWUEQIUJSIBED-PDWMJMLSSA-N 1 1 409.368 4.039 50 0 HIAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000012431041 569401363 /nfs/dbraw/zinc/40/13/63/569401363.db2.gz OBXAQYFZXPBRKV-QFIPXVFZSA-N 1 1 420.553 4.017 50 0 HIAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000012431041 569401364 /nfs/dbraw/zinc/40/13/64/569401364.db2.gz OBXAQYFZXPBRKV-QFIPXVFZSA-N 1 1 420.553 4.017 50 0 HIAAMO Cn1c2nnc(C[N@H+](Cc3ccccc3)[C@H]3CCCC3(C)C)n2c2ccsc2c1=O ZINC000079022076 569424441 /nfs/dbraw/zinc/42/44/41/569424441.db2.gz UCNHNBBKKVWEKM-SFHVURJKSA-N 1 1 421.570 4.224 50 0 HIAAMO Cn1c2nnc(C[N@@H+](Cc3ccccc3)[C@H]3CCCC3(C)C)n2c2ccsc2c1=O ZINC000079022076 569424442 /nfs/dbraw/zinc/42/44/42/569424442.db2.gz UCNHNBBKKVWEKM-SFHVURJKSA-N 1 1 421.570 4.224 50 0 HIAAMO O=C(Nc1ccn(Cc2cccc3cccnc32)n1)[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000071799255 571301412 /nfs/dbraw/zinc/30/14/12/571301412.db2.gz NNZCSHYIGDAAQO-DEOSSOPVSA-N 1 1 411.509 4.255 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1)C(=O)c1ccccn1 ZINC000011999227 845846431 /nfs/dbraw/zinc/84/64/31/845846431.db2.gz NTOWDZWOFNYFHW-SFHVURJKSA-N 1 1 405.464 4.127 50 0 HIAAMO COc1ccc(CN2CCOc3ccc([C@](C)(O)C[NH+](C)C)cc3C2)c2ccccc12 ZINC000012039440 845849568 /nfs/dbraw/zinc/84/95/68/845849568.db2.gz WAMNOGAFGFJECX-AREMUKBSSA-N 1 1 420.553 4.012 50 0 HIAAMO CC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)cc1 ZINC000012091853 845852976 /nfs/dbraw/zinc/85/29/76/845852976.db2.gz GLHGJFJZZXYWJW-SANMLTNESA-N 1 1 404.554 4.450 50 0 HIAAMO Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CCC[N@@H+](CC4CCCCC4)C3)cc2)n1 ZINC000012711635 845885071 /nfs/dbraw/zinc/88/50/71/845885071.db2.gz XDKNOEJLIPFNQE-XMMPIXPASA-N 1 1 408.590 4.323 50 0 HIAAMO C[N@@H+]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)[C@H](c2ccccc2)C1 ZINC000012998818 845902287 /nfs/dbraw/zinc/90/22/87/845902287.db2.gz XGKLISWKFAODRE-IBDYFIJFSA-N 1 1 412.917 4.030 50 0 HIAAMO C[N@H+]1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)[C@H](c2ccccc2)C1 ZINC000012998818 845902292 /nfs/dbraw/zinc/90/22/92/845902292.db2.gz XGKLISWKFAODRE-IBDYFIJFSA-N 1 1 412.917 4.030 50 0 HIAAMO CC(=O)c1cc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)cs1 ZINC000020207505 846382122 /nfs/dbraw/zinc/38/21/22/846382122.db2.gz HPUQZULSARWRIZ-NRFANRHFSA-N 1 1 418.006 4.391 50 0 HIAAMO C[N@H+](Cc1cscn1)[C@@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 ZINC000020450177 846384874 /nfs/dbraw/zinc/38/48/74/846384874.db2.gz UWIVIGKXBQDNDG-OAHLLOKOSA-N 1 1 400.573 4.019 50 0 HIAAMO C[N@@H+](Cc1cscn1)[C@@H]1CCc2c(sc3ncn(C4CCCC4)c(=O)c23)C1 ZINC000020450177 846384884 /nfs/dbraw/zinc/38/48/84/846384884.db2.gz UWIVIGKXBQDNDG-OAHLLOKOSA-N 1 1 400.573 4.019 50 0 HIAAMO C[C@H](Cc1ccsc1)NC(=O)C[N@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000039354881 848183816 /nfs/dbraw/zinc/18/38/16/848183816.db2.gz IWXYILNIKHLHEK-JPYJTQIMSA-N 1 1 406.551 4.431 50 0 HIAAMO C[C@H](Cc1ccsc1)NC(=O)C[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2)C1 ZINC000039354881 848183826 /nfs/dbraw/zinc/18/38/26/848183826.db2.gz IWXYILNIKHLHEK-JPYJTQIMSA-N 1 1 406.551 4.431 50 0 HIAAMO O=C(Cc1ccccc1)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccccc1)C1CC1)CCO2 ZINC000169776640 853661905 /nfs/dbraw/zinc/66/19/05/853661905.db2.gz JMTCRKFCBVHAHF-VWLOTQADSA-N 1 1 418.581 4.434 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[NH2+][C@H](c3cc(OC)ccc3OC)[C@H](C)[C@@](C)(O)[C@@H]2C)c1 ZINC000239433530 854155340 /nfs/dbraw/zinc/15/53/40/854155340.db2.gz XWCBTKHAFJFMOT-PIYURXOVSA-N 1 1 415.530 4.130 50 0 HIAAMO O=C1C[C@H](c2ccccc2)[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CCCCCN1 ZINC000257186798 854233615 /nfs/dbraw/zinc/23/36/15/854233615.db2.gz ZUICUSYBZCQVPM-JOCHJYFZSA-N 1 1 406.505 4.449 50 0 HIAAMO CCCCS(=O)(=O)N1CCC2(CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000257197319 854235663 /nfs/dbraw/zinc/23/56/63/854235663.db2.gz ZVMDKTZMYTUMTJ-UHFFFAOYSA-N 1 1 404.620 4.199 50 0 HIAAMO CCc1nn2c(nc(C)cc2N2CCN(c3cccc(C)[nH+]3)CC2)c1-c1ccccc1 ZINC000007636233 132325344 /nfs/dbraw/zinc/32/53/44/132325344.db2.gz ADQWUUPIEXRYBI-UHFFFAOYSA-N 1 1 412.541 4.297 50 0 HIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)n2)cc1 ZINC000009573237 132341169 /nfs/dbraw/zinc/34/11/69/132341169.db2.gz RZRJFOFSCBBQPK-UHFFFAOYSA-N 1 1 421.932 4.453 50 0 HIAAMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012528391 132362024 /nfs/dbraw/zinc/36/20/24/132362024.db2.gz GUEFHOHZWFDNPQ-OAHLLOKOSA-N 1 1 422.356 4.289 50 0 HIAAMO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000012528391 132362025 /nfs/dbraw/zinc/36/20/25/132362025.db2.gz GUEFHOHZWFDNPQ-OAHLLOKOSA-N 1 1 422.356 4.289 50 0 HIAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@H](O)COCC(C)C ZINC000036246072 521679397 /nfs/dbraw/zinc/67/93/97/521679397.db2.gz BOBRIFFJDGOPAV-NRFANRHFSA-N 1 1 417.594 4.433 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+]2CC[C@@H](N(C)C)C2)cc1OC ZINC000072418226 523229720 /nfs/dbraw/zinc/22/97/20/523229720.db2.gz GYUIGPQJRKAZAK-OAQYLSRUSA-N 1 1 405.542 4.363 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CC[C@@H](N(C)C)C2)cc1OC ZINC000072418226 523229736 /nfs/dbraw/zinc/22/97/36/523229736.db2.gz GYUIGPQJRKAZAK-OAQYLSRUSA-N 1 1 405.542 4.363 50 0 HIAAMO C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1Oc2ccccc2NC1=O)C1CCCCC1 ZINC000032900666 523375856 /nfs/dbraw/zinc/37/58/56/523375856.db2.gz STVRTFJWAYRCGF-JOCHJYFZSA-N 1 1 407.514 4.179 50 0 HIAAMO COc1ccc2cc([C@@H](C)C(=O)NCC3([NH+]4CCOCC4)CCCCC3)ccc2c1 ZINC000032716654 525636352 /nfs/dbraw/zinc/63/63/52/525636352.db2.gz XULKTZKMCYBRGE-LJQANCHMSA-N 1 1 410.558 4.103 50 0 HIAAMO Cc1nc(CSCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000032931234 526912564 /nfs/dbraw/zinc/91/25/64/526912564.db2.gz LQEVHGWLYXWWET-INIZCTEOSA-N 1 1 403.617 4.233 50 0 HIAAMO O=C(NCc1cccc(F)c1)c1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000034668790 557362262 /nfs/dbraw/zinc/36/22/62/557362262.db2.gz BFYOMKUOKCAAQU-UHFFFAOYSA-N 1 1 421.491 4.217 50 0 HIAAMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000002734442 557373656 /nfs/dbraw/zinc/37/36/56/557373656.db2.gz VCSLCFNVGCORAF-LJQANCHMSA-N 1 1 401.348 4.320 50 0 HIAAMO O=C(NCc1ccco1)[C@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000034711117 557390399 /nfs/dbraw/zinc/39/03/99/557390399.db2.gz TYWRGVINWJOEPF-PMACEKPBSA-N 1 1 410.464 4.480 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)C1CCCC1)[N@H+](Cc1ccc(C)cc1)CC2 ZINC000034855735 557477298 /nfs/dbraw/zinc/47/72/98/557477298.db2.gz XAVQNHLLYJVYLP-HSZRJFAPSA-N 1 1 422.569 4.418 50 0 HIAAMO COc1cc2c(cc1OC)[C@@H](CNC(=O)C1CCCC1)[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000034855735 557477300 /nfs/dbraw/zinc/47/73/00/557477300.db2.gz XAVQNHLLYJVYLP-HSZRJFAPSA-N 1 1 422.569 4.418 50 0 HIAAMO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@](CO)(Cc4ccccc4F)C3)c2)n1 ZINC000011662313 558266118 /nfs/dbraw/zinc/26/61/18/558266118.db2.gz XLZAPNQYJWIMQQ-VWLOTQADSA-N 1 1 407.533 4.445 50 0 HIAAMO Cc1ccccc1C[NH+]1CCC(CN(Cc2ccc(CO)o2)Cc2cccnc2)CC1 ZINC000011667856 558269839 /nfs/dbraw/zinc/26/98/39/558269839.db2.gz HKHOAYNBSDTMCO-UHFFFAOYSA-N 1 1 419.569 4.390 50 0 HIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)c1ccnc(Cl)c1 ZINC000011815288 558279216 /nfs/dbraw/zinc/27/92/16/558279216.db2.gz SBPWWRPJPSACHJ-IBGZPJMESA-N 1 1 415.965 4.160 50 0 HIAAMO CN(Cc1ccccc1OCCO)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843126 558288318 /nfs/dbraw/zinc/28/83/18/558288318.db2.gz MSZGFHZFGMOLRF-OAQYLSRUSA-N 1 1 416.993 4.098 50 0 HIAAMO COc1ccccc1/C=C/C[N@H+]1CC[C@H]2[C@H](CCC(=O)N2CCc2ccccc2F)C1 ZINC000011882437 558295576 /nfs/dbraw/zinc/29/55/76/558295576.db2.gz IQUOFMUJAHJAHA-CSPIVVFSSA-N 1 1 422.544 4.403 50 0 HIAAMO Cc1ccc(CN(C)Cc2ccc(OC[C@@H](O)C[N@H+](C)Cc3ccccc3)cc2)o1 ZINC000011997743 558307286 /nfs/dbraw/zinc/30/72/86/558307286.db2.gz MRVWJWWZOXIDKV-QHCPKHFHSA-N 1 1 408.542 4.092 50 0 HIAAMO Cc1ccc(CN(C)Cc2ccc(OC[C@@H](O)C[N@@H+](C)Cc3ccccc3)cc2)o1 ZINC000011997743 558307287 /nfs/dbraw/zinc/30/72/87/558307287.db2.gz MRVWJWWZOXIDKV-QHCPKHFHSA-N 1 1 408.542 4.092 50 0 HIAAMO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@@H+](Cc2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000012029090 558310606 /nfs/dbraw/zinc/31/06/06/558310606.db2.gz PIVIQIROFKKRGW-HSZRJFAPSA-N 1 1 413.924 4.482 50 0 HIAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012072402 558317780 /nfs/dbraw/zinc/31/77/80/558317780.db2.gz XQXBNTOIWMAGEI-QHCPKHFHSA-N 1 1 419.949 4.183 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)c(OC)c1 ZINC000012075819 558319647 /nfs/dbraw/zinc/31/96/47/558319647.db2.gz SOJOPWMDDILMFU-SFHVURJKSA-N 1 1 416.587 4.382 50 0 HIAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000012094283 558325030 /nfs/dbraw/zinc/32/50/30/558325030.db2.gz DCVMZPXGAFINKE-IBGZPJMESA-N 1 1 400.482 4.469 50 0 HIAAMO CC(C)c1csc(C[NH+]2CCC(n3nccc3NC(=O)Cc3ccccc3)CC2)n1 ZINC000020256157 558352123 /nfs/dbraw/zinc/35/21/23/558352123.db2.gz ISHDRJPUYQVGNR-UHFFFAOYSA-N 1 1 423.586 4.481 50 0 HIAAMO COc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000012205461 558352566 /nfs/dbraw/zinc/35/25/66/558352566.db2.gz AODSCXBRDZLUBU-OAQYLSRUSA-N 1 1 403.482 4.486 50 0 HIAAMO COc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000012205461 558352569 /nfs/dbraw/zinc/35/25/69/558352569.db2.gz AODSCXBRDZLUBU-OAQYLSRUSA-N 1 1 403.482 4.486 50 0 HIAAMO C[C@@H]1CCCC[N@H+]1CCCNc1nc2ccccc2c2nc(-c3ccncc3)nn21 ZINC000020377155 558358749 /nfs/dbraw/zinc/35/87/49/558358749.db2.gz AVZFAPFELNJTEJ-QGZVFWFLSA-N 1 1 401.518 4.016 50 0 HIAAMO COc1ccc(F)c(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c1 ZINC000012373015 558390691 /nfs/dbraw/zinc/39/06/91/558390691.db2.gz LRYANYRAFJBVBY-HSZRJFAPSA-N 1 1 404.570 4.470 50 0 HIAAMO OC[C@]1(CCOc2ccccc2)CCC[N@@H+](Cc2cc(F)ccc2-n2cccn2)C1 ZINC000012386484 558395357 /nfs/dbraw/zinc/39/53/57/558395357.db2.gz BRWACGBABGOOBO-DEOSSOPVSA-N 1 1 409.505 4.055 50 0 HIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012431992 558406398 /nfs/dbraw/zinc/40/63/98/558406398.db2.gz KAXIUTMZWWDODL-GOSISDBHSA-N 1 1 407.432 4.171 50 0 HIAAMO Cc1cc(C(=O)N(CC2CC[NH+](CCc3ccccc3C)CC2)C2CCCC2)n[nH]1 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CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)[NH+]3CCC(C)CC3)cc(=O)c2c1 ZINC000015860521 558758411 /nfs/dbraw/zinc/75/84/11/558758411.db2.gz OQYLHCPDAWYRPV-HXUWFJFHSA-N 1 1 422.525 4.460 50 0 HIAAMO COC(=O)Cn1cc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453899 558792159 /nfs/dbraw/zinc/79/21/59/558792159.db2.gz KPNJWNKSQUDILC-OAQYLSRUSA-N 1 1 411.502 4.271 50 0 HIAAMO Cc1nccn1Cc1ccc(NC(=O)Nc2ccc(Cn3cc[nH+]c3C)cc2)cc1 ZINC000036646421 558800815 /nfs/dbraw/zinc/80/08/15/558800815.db2.gz GGUZRIPVWITXPZ-UHFFFAOYSA-N 1 1 400.486 4.437 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)C1=CCCCC1 ZINC000016699067 558801323 /nfs/dbraw/zinc/80/13/23/558801323.db2.gz HJTSYAASQMOYNF-IBGZPJMESA-N 1 1 419.529 4.340 50 0 HIAAMO Cc1ccccc1NC(=S)N(CCC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000017082266 558814277 /nfs/dbraw/zinc/81/42/77/558814277.db2.gz GUMYIWBEIWDLDT-UHFFFAOYSA-N 1 1 401.551 4.055 50 0 HIAAMO c1[nH]nc(-c2cccc3ccccc32)c1C[N@@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000019146131 558846639 /nfs/dbraw/zinc/84/66/39/558846639.db2.gz AGHCFJNVCHRBQI-QFIPXVFZSA-N 1 1 404.558 4.307 50 0 HIAAMO CC[C@H](C)[N@@H+](CCCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccco1 ZINC000033028856 558852574 /nfs/dbraw/zinc/85/25/74/558852574.db2.gz PXFXVRFYQVVXDW-INIZCTEOSA-N 1 1 409.486 4.248 50 0 HIAAMO COc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4ccccc4)C3)n2)c(OC)c1OC ZINC000019227095 558852775 /nfs/dbraw/zinc/85/27/75/558852775.db2.gz QELYFZPENKUXHQ-KRWDZBQOSA-N 1 1 409.486 4.142 50 0 HIAAMO Cc1ccsc1C[N@@H+]1C[C@@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NC(C)C ZINC000055036404 558870144 /nfs/dbraw/zinc/87/01/44/558870144.db2.gz VIMDWGDQRHUHJH-YJBOKZPZSA-N 1 1 414.600 4.193 50 0 HIAAMO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055182669 558875103 /nfs/dbraw/zinc/87/51/03/558875103.db2.gz WGTOKSTYOXVGFL-XMMPIXPASA-N 1 1 423.601 4.430 50 0 HIAAMO CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055182669 558875105 /nfs/dbraw/zinc/87/51/05/558875105.db2.gz WGTOKSTYOXVGFL-XMMPIXPASA-N 1 1 423.601 4.430 50 0 HIAAMO COc1cccc(C[N@H+](C)Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)c1 ZINC000055326189 558879070 /nfs/dbraw/zinc/87/90/70/558879070.db2.gz RMKBTBNQCDZOTP-UHFFFAOYSA-N 1 1 420.557 4.300 50 0 HIAAMO COc1cccc(C[N@@H+](C)Cc2c(C(=O)N3CCCCCC3)nc3cc(C)ccn32)c1 ZINC000055326189 558879072 /nfs/dbraw/zinc/87/90/72/558879072.db2.gz RMKBTBNQCDZOTP-UHFFFAOYSA-N 1 1 420.557 4.300 50 0 HIAAMO CC(C)[NH+]1CCN(C(=O)c2csc3nc(-c4ccc(C(F)(F)F)cc4)cn23)CC1 ZINC000055324947 558879139 /nfs/dbraw/zinc/87/91/39/558879139.db2.gz CBUICLGUPFEKMQ-UHFFFAOYSA-N 1 1 422.476 4.248 50 0 HIAAMO O=C(c1cccs1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055358072 558879988 /nfs/dbraw/zinc/87/99/88/558879988.db2.gz HSWFULWXVCRISA-SFHVURJKSA-N 1 1 423.504 4.194 50 0 HIAAMO CCCO[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000055383206 558880664 /nfs/dbraw/zinc/88/06/64/558880664.db2.gz PFNMXYHJLQBVLN-SFHVURJKSA-N 1 1 418.607 4.193 50 0 HIAAMO CCCO[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCCCCCC3)nc3sccn23)C1 ZINC000055383206 558880667 /nfs/dbraw/zinc/88/06/67/558880667.db2.gz PFNMXYHJLQBVLN-SFHVURJKSA-N 1 1 418.607 4.193 50 0 HIAAMO Cc1ccc(NC(=S)NCC[NH+]2CCN(c3cccc(Cl)c3C)CC2)c(C)c1 ZINC000055551659 558882376 /nfs/dbraw/zinc/88/23/76/558882376.db2.gz LAUKGYZNMWMFTR-UHFFFAOYSA-N 1 1 417.022 4.374 50 0 HIAAMO Clc1ccccc1-c1nnc([C@H](c2ccccc2)[NH+]2CCC3(CC2)OCCO3)o1 ZINC000057401931 558888499 /nfs/dbraw/zinc/88/84/99/558888499.db2.gz NZHWFIHVJPJKFD-IBGZPJMESA-N 1 1 411.889 4.318 50 0 HIAAMO O=C(CN1CCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(F)c(F)c1 ZINC000058061425 558897365 /nfs/dbraw/zinc/89/73/65/558897365.db2.gz BPQHQHVEMDVQCF-QHCPKHFHSA-N 1 1 413.512 4.280 50 0 HIAAMO COc1ccc(OC)c([C@H](C)NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000058163621 558906446 /nfs/dbraw/zinc/90/64/46/558906446.db2.gz DDTVUMCHIAIMOI-SFHVURJKSA-N 1 1 403.567 4.062 50 0 HIAAMO COc1ccc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)c(OC)c1OC ZINC000019552823 558916155 /nfs/dbraw/zinc/91/61/55/558916155.db2.gz DHDYQIURCAAOQB-UHFFFAOYSA-N 1 1 424.463 4.049 50 0 HIAAMO c1c(C23CC4CC(CC(C4)C2)C3)nc2n1c1ccccc1n2CC[NH+]1CCOCC1 ZINC000019595110 558945798 /nfs/dbraw/zinc/94/57/98/558945798.db2.gz COVUSQARJNUAJS-UHFFFAOYSA-N 1 1 404.558 4.089 50 0 HIAAMO COc1ccc(-n2cc(CN(C)[C@@H]3CC[N@@H+](C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072421605 558978407 /nfs/dbraw/zinc/97/84/07/558978407.db2.gz SCJLOJJFXXNAEU-LJQANCHMSA-N 1 1 410.949 4.337 50 0 HIAAMO COc1ccc(-n2cc(C[N@H+](C)[C@@H]3CCN(C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072421605 558978409 /nfs/dbraw/zinc/97/84/09/558978409.db2.gz SCJLOJJFXXNAEU-LJQANCHMSA-N 1 1 410.949 4.337 50 0 HIAAMO COc1ccc(-n2cc(C[N@@H+](C)[C@@H]3CCN(C)C3)c(-c3ccccc3Cl)n2)cc1 ZINC000072421605 558978411 /nfs/dbraw/zinc/97/84/11/558978411.db2.gz SCJLOJJFXXNAEU-LJQANCHMSA-N 1 1 410.949 4.337 50 0 HIAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3F)nc2-c2cc(C)sc2C)C1 ZINC000072431565 558979466 /nfs/dbraw/zinc/97/94/66/558979466.db2.gz AROHIQCDHNCJLG-SFHVURJKSA-N 1 1 412.534 4.067 50 0 HIAAMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2c(-c3ccccc3)csc2n1 ZINC000033068997 558982480 /nfs/dbraw/zinc/98/24/80/558982480.db2.gz CWKVKOXXTAYBDU-UHFFFAOYSA-N 1 1 405.523 4.454 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)CC2(CO)CC2)cc1F ZINC000072454063 558982888 /nfs/dbraw/zinc/98/28/88/558982888.db2.gz UQPPIBXFULSRDV-UHFFFAOYSA-N 1 1 409.505 4.200 50 0 HIAAMO Fc1ccc(C[NH+]2CCN(c3ncnc4onc(-c5ccc(Cl)cc5)c43)CC2)cc1 ZINC000096793210 558990782 /nfs/dbraw/zinc/99/07/82/558990782.db2.gz LVFIODJURSOCBE-UHFFFAOYSA-N 1 1 423.879 4.400 50 0 HIAAMO Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000076916000 558998089 /nfs/dbraw/zinc/99/80/89/558998089.db2.gz XASISKZXGFNBJI-QGZVFWFLSA-N 1 1 404.938 4.420 50 0 HIAAMO CCn1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)n1 ZINC000023128291 559017732 /nfs/dbraw/zinc/01/77/32/559017732.db2.gz CNTKSFYOJIIXEZ-UHFFFAOYSA-N 1 1 423.567 4.481 50 0 HIAAMO CCn1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)n1 ZINC000023128291 559017733 /nfs/dbraw/zinc/01/77/33/559017733.db2.gz CNTKSFYOJIIXEZ-UHFFFAOYSA-N 1 1 423.567 4.481 50 0 HIAAMO CNc1cc[nH+]c(N[C@@H]2CC(C)(C)Cc3nc(N(C)Cc4ccccc4)ncc32)n1 ZINC000091350984 559071208 /nfs/dbraw/zinc/07/12/08/559071208.db2.gz HINJOTNPJPZUKP-GOSISDBHSA-N 1 1 403.534 4.070 50 0 HIAAMO Cc1cccc(CC[N@H+]2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)n1 ZINC000095498285 559081789 /nfs/dbraw/zinc/08/17/89/559081789.db2.gz VGCOVEAYFMKBLU-GOSISDBHSA-N 1 1 401.501 4.019 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2c(C)n(-c3ccc(Cl)c(Cl)c3)nc2CC(C)C)CC1 ZINC000096207142 559101376 /nfs/dbraw/zinc/10/13/76/559101376.db2.gz HTCJPAHADJPPEX-UHFFFAOYSA-N 1 1 423.388 4.464 50 0 HIAAMO O=C(c1cnc2ccc(F)cc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198693 559189854 /nfs/dbraw/zinc/18/98/54/559189854.db2.gz GGGUEYCQLIHTKW-MBKAAHDRSA-N 1 1 421.516 4.115 50 0 HIAAMO COCCC[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(F)cc1 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/nfs/dbraw/zinc/27/83/65/559278365.db2.gz OKLILQZBYPVCSW-JBXUNAHCSA-N 1 1 421.585 4.030 50 0 HIAAMO c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H](NCc4ccnc(O[C@H]5CCOC5)c4)[C@@H]3C2)cc1 ZINC000252539705 559278366 /nfs/dbraw/zinc/27/83/66/559278366.db2.gz OKLILQZBYPVCSW-JBXUNAHCSA-N 1 1 421.585 4.030 50 0 HIAAMO CCC[N@@H+]1CCc2c(sc(NC(=O)CCSc3ccc(C)cc3)c2C(N)=O)C1 ZINC000005191363 559291439 /nfs/dbraw/zinc/29/14/39/559291439.db2.gz VQNMZWFIQMGVRE-UHFFFAOYSA-N 1 1 417.600 4.044 50 0 HIAAMO CCC[N@H+]1CCc2c(sc(NC(=O)CCSc3ccc(C)cc3)c2C(N)=O)C1 ZINC000005191363 559291440 /nfs/dbraw/zinc/29/14/40/559291440.db2.gz VQNMZWFIQMGVRE-UHFFFAOYSA-N 1 1 417.600 4.044 50 0 HIAAMO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000003198043 560588854 /nfs/dbraw/zinc/58/88/54/560588854.db2.gz MSHNSSKLCSICTD-KRWDZBQOSA-N 1 1 408.259 4.155 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015953664 560650625 /nfs/dbraw/zinc/65/06/25/560650625.db2.gz MYLQMGNWRSZRBE-PZUNEJSGSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000015953664 560650626 /nfs/dbraw/zinc/65/06/26/560650626.db2.gz MYLQMGNWRSZRBE-PZUNEJSGSA-N 1 1 424.541 4.011 50 0 HIAAMO Cc1ccc([C@H]2C[N@@H+](C)[C@@]3(c4ccccc4NC3=O)[C@@]23COc2ccccc2C3=O)cc1 ZINC000169298344 560762911 /nfs/dbraw/zinc/76/29/11/560762911.db2.gz CYYZPJAXGZCLPS-COFKYPDJSA-N 1 1 424.500 4.133 50 0 HIAAMO Cc1ccc([C@H]2C[N@H+](C)[C@@]3(c4ccccc4NC3=O)[C@@]23COc2ccccc2C3=O)cc1 ZINC000169298344 560762912 /nfs/dbraw/zinc/76/29/12/560762912.db2.gz CYYZPJAXGZCLPS-COFKYPDJSA-N 1 1 424.500 4.133 50 0 HIAAMO CCCOc1c(Br)cc(C[NH2+]Cc2nc3ccccc3[nH]2)cc1OC ZINC000113397867 560789157 /nfs/dbraw/zinc/78/91/57/560789157.db2.gz DQWGKRVSKAKBBD-UHFFFAOYSA-N 1 1 404.308 4.413 50 0 HIAAMO O=C(Nc1ccc2c(c1)CCC2)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000051317131 560857208 /nfs/dbraw/zinc/85/72/08/560857208.db2.gz XYEKNAPSSHQUOY-UHFFFAOYSA-N 1 1 402.498 4.076 50 0 HIAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@](O)(c1ccco1)C(F)(F)F ZINC000106080804 560884659 /nfs/dbraw/zinc/88/46/59/560884659.db2.gz SXMWZEAPKSSKDA-KKSFZXQISA-N 1 1 424.463 4.110 50 0 HIAAMO CCN(C(=O)Nc1ccc(NC(C)=O)c(OC)c1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000107076434 560895281 /nfs/dbraw/zinc/89/52/81/560895281.db2.gz JVNZEMYXBWEJSX-DYESRHJHSA-N 1 1 424.545 4.343 50 0 HIAAMO O=c1cc(C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)nc2sc(C3CC3)nn21 ZINC000046032236 568424740 /nfs/dbraw/zinc/42/47/40/568424740.db2.gz NENOYLNGSIIKLO-UHFFFAOYSA-N 1 1 420.513 4.370 50 0 HIAAMO O=c1cc(C[N@H+](Cc2ccccc2)Cc2ccc(F)cc2)nc2sc(C3CC3)nn21 ZINC000046032236 568424741 /nfs/dbraw/zinc/42/47/41/568424741.db2.gz NENOYLNGSIIKLO-UHFFFAOYSA-N 1 1 420.513 4.370 50 0 HIAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000048236990 568432958 /nfs/dbraw/zinc/43/29/58/568432958.db2.gz UMCJPQPNTQFBBU-INIZCTEOSA-N 1 1 416.591 4.363 50 0 HIAAMO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)NCc4ccc(Cl)cc4)CC3)n2)c1 ZINC000049403568 568448346 /nfs/dbraw/zinc/44/83/46/568448346.db2.gz QODRVUQLFNVZKZ-UHFFFAOYSA-N 1 1 424.932 4.194 50 0 HIAAMO Cc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)c(C)c1 ZINC000020212343 568594445 /nfs/dbraw/zinc/59/44/45/568594445.db2.gz ZKQYZPKACWFJQC-UHFFFAOYSA-N 1 1 418.541 4.047 50 0 HIAAMO Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000095400364 568604933 /nfs/dbraw/zinc/60/49/33/568604933.db2.gz YLPFJKJPGWEKDP-RUZDIDTESA-N 1 1 416.569 4.219 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000225504666 568644169 /nfs/dbraw/zinc/64/41/69/568644169.db2.gz WSSLPTABKIHBLQ-LBPRGKRZSA-N 1 1 417.884 4.457 50 0 HIAAMO CCN(C(=O)Nc1cc(OC)ccc1OC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000095942614 568662270 /nfs/dbraw/zinc/66/22/70/568662270.db2.gz MARUBFGRXUGEOV-KRWDZBQOSA-N 1 1 419.472 4.425 50 0 HIAAMO CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670426 568662502 /nfs/dbraw/zinc/66/25/02/568662502.db2.gz QKQJGCGHXVYPIF-SJORKVTESA-N 1 1 409.596 4.037 50 0 HIAAMO COc1ccccc1[C@@](O)(c1ccc(F)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000021523235 568708696 /nfs/dbraw/zinc/70/86/96/568708696.db2.gz MENOUBXBHIEPBM-RSXGOPAZSA-N 1 1 421.512 4.186 50 0 HIAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2cc(C)ccc2F)CC1 ZINC000096292480 568721224 /nfs/dbraw/zinc/72/12/24/568721224.db2.gz BNEUBNRWIMSGHH-HXUWFJFHSA-N 1 1 407.533 4.312 50 0 HIAAMO Cc1cccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3C(C)C)CC2)c1 ZINC000247881668 568745892 /nfs/dbraw/zinc/74/58/92/568745892.db2.gz CGLJJZDPMZNWCO-UHFFFAOYSA-N 1 1 404.558 4.454 50 0 HIAAMO CCCNC(=O)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000248005688 568746866 /nfs/dbraw/zinc/74/68/66/568746866.db2.gz PNQUOWOWNZBXIU-UHFFFAOYSA-N 1 1 424.976 4.476 50 0 HIAAMO CCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247986577 568747051 /nfs/dbraw/zinc/74/70/51/568747051.db2.gz KRJZNRRUNWRSNK-GOSISDBHSA-N 1 1 408.521 4.245 50 0 HIAAMO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)c1 ZINC000248113164 568747431 /nfs/dbraw/zinc/74/74/31/568747431.db2.gz RJQYPPOPVJNPBQ-JOCHJYFZSA-N 1 1 418.585 4.497 50 0 HIAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)nc(C)[nH+]3)cc2)cc1 ZINC000021794168 568753383 /nfs/dbraw/zinc/75/33/83/568753383.db2.gz YMUMSZZWJUXEKT-UHFFFAOYSA-N 1 1 403.486 4.390 50 0 HIAAMO COc1ccc(C(=O)Nc2ccc(Nc3cc(N4CCCC4)[nH+]c(C)n3)cc2)cc1 ZINC000021794168 568753385 /nfs/dbraw/zinc/75/33/85/568753385.db2.gz YMUMSZZWJUXEKT-UHFFFAOYSA-N 1 1 403.486 4.390 50 0 HIAAMO COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(N(C)C)nc(C)[nH+]3)cc2)c1 ZINC000021795444 568753847 /nfs/dbraw/zinc/75/38/47/568753847.db2.gz QSLPWZIKMWUDJF-UHFFFAOYSA-N 1 1 422.489 4.256 50 0 HIAAMO COc1ccc(OC)c(NC(=O)Nc2ccc(Nc3cc(N(C)C)[nH+]c(C)n3)cc2)c1 ZINC000021795444 568753849 /nfs/dbraw/zinc/75/38/49/568753849.db2.gz QSLPWZIKMWUDJF-UHFFFAOYSA-N 1 1 422.489 4.256 50 0 HIAAMO CC[NH+]1CCN([C@@H](c2cccs2)[C@@H](C)NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000022460559 568768461 /nfs/dbraw/zinc/76/84/61/568768461.db2.gz OGKMVRDUDFZFSR-DNVCBOLYSA-N 1 1 423.051 4.455 50 0 HIAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000057570839 568854105 /nfs/dbraw/zinc/85/41/05/568854105.db2.gz RHRDPIKOUPDNIA-YJBOKZPZSA-N 1 1 412.839 4.495 50 0 HIAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000057570839 568854108 /nfs/dbraw/zinc/85/41/08/568854108.db2.gz RHRDPIKOUPDNIA-YJBOKZPZSA-N 1 1 412.839 4.495 50 0 HIAAMO Cc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(=O)NC2CC2)c2ccccc2)cc1 ZINC000057882187 568865409 /nfs/dbraw/zinc/86/54/09/568865409.db2.gz QEZKFXSFTORTRB-RUZDIDTESA-N 1 1 413.521 4.205 50 0 HIAAMO O=C(NC1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000057891806 568866081 /nfs/dbraw/zinc/86/60/81/568866081.db2.gz YIKOIGNOWSUSSG-DEOSSOPVSA-N 1 1 413.521 4.261 50 0 HIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2c1cccc2Cl ZINC000263586069 568878810 /nfs/dbraw/zinc/87/88/10/568878810.db2.gz POMRNRAFYHJNEI-GHTZIAJQSA-N 1 1 417.981 4.034 50 0 HIAAMO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000030909305 568901739 /nfs/dbraw/zinc/90/17/39/568901739.db2.gz ZXVAVQMPQUZJNB-VIFPVBQESA-N 1 1 417.145 4.113 50 0 HIAAMO Cc1nc(CC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cs1 ZINC000012706071 568917378 /nfs/dbraw/zinc/91/73/78/568917378.db2.gz UKNPLKOWTYTZEC-GOSISDBHSA-N 1 1 405.995 4.061 50 0 HIAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 ZINC000004087080 568940745 /nfs/dbraw/zinc/94/07/45/568940745.db2.gz HXNMRICJFPBGCJ-UHFFFAOYSA-N 1 1 412.342 4.173 50 0 HIAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 ZINC000004087080 568940747 /nfs/dbraw/zinc/94/07/47/568940747.db2.gz HXNMRICJFPBGCJ-UHFFFAOYSA-N 1 1 412.342 4.173 50 0 HIAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 ZINC000004087076 568940798 /nfs/dbraw/zinc/94/07/98/568940798.db2.gz ZNKQZPSUZHIKNC-UHFFFAOYSA-N 1 1 412.342 4.173 50 0 HIAAMO 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569011330 /nfs/dbraw/zinc/01/13/30/569011330.db2.gz PYOUNYZOCROKQF-UHFFFAOYSA-N 1 1 402.502 4.191 50 0 HIAAMO Clc1ccc(-c2nnc([C@H](c3ccccc3)[NH+]3CCC4(CC3)OCCO4)o2)cc1 ZINC000015864527 569016637 /nfs/dbraw/zinc/01/66/37/569016637.db2.gz KOPNJBRCBRJGRU-IBGZPJMESA-N 1 1 411.889 4.318 50 0 HIAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccc(F)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000012915280 569022282 /nfs/dbraw/zinc/02/22/82/569022282.db2.gz TWCKZPPRENPQTJ-JOCHJYFZSA-N 1 1 412.486 4.366 50 0 HIAAMO CN(C(=O)Nc1ccc(F)cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000222018453 569039749 /nfs/dbraw/zinc/03/97/49/569039749.db2.gz ZRAOIVLDVHSHPI-VQTJNVASSA-N 1 1 410.965 4.280 50 0 HIAAMO Cc1ccnc(Nc2cc(NCCNC(=O)Nc3ccccc3Cl)[nH+]c(C)n2)c1 ZINC000090608016 569042128 /nfs/dbraw/zinc/04/21/28/569042128.db2.gz WGCFJAIBNVYUNI-UHFFFAOYSA-N 1 1 411.897 4.119 50 0 HIAAMO COc1ccc(-c2ccc(CCC(=O)N3CC[N@H+](C)C[C@H]3c3ccccc3)o2)cc1 ZINC000013010687 569050121 /nfs/dbraw/zinc/05/01/21/569050121.db2.gz NOOMVUIOUBOAQF-QHCPKHFHSA-N 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558283591 /nfs/dbraw/zinc/28/35/91/558283591.db2.gz ACYOZIXKGXDZDU-FQEVSTJZSA-N 1 1 402.542 4.212 50 0 HIAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000011838317 558285409 /nfs/dbraw/zinc/28/54/09/558285409.db2.gz YCMAOSOKMQWYKJ-SFHVURJKSA-N 1 1 407.432 4.171 50 0 HIAAMO O=C1C[C@@H]([NH+]2CCC(Cc3ccccc3)CC2)C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000019809752 558286488 /nfs/dbraw/zinc/28/64/88/558286488.db2.gz KXWZWTCTPRIFGK-HXUWFJFHSA-N 1 1 416.443 4.292 50 0 HIAAMO COc1ccc(CCN2CCC[C@H](C[N@H+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878175 558292535 /nfs/dbraw/zinc/29/25/35/558292535.db2.gz QKMQASYYKPFYCV-XMMPIXPASA-N 1 1 418.585 4.267 50 0 HIAAMO COc1ccc(CCN2CCC[C@H](C[N@@H+](C)Cc3cccc(-n4cccn4)c3)C2)cc1 ZINC000011878175 558292539 /nfs/dbraw/zinc/29/25/39/558292539.db2.gz QKMQASYYKPFYCV-XMMPIXPASA-N 1 1 418.585 4.267 50 0 HIAAMO Cc1nc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2nc1C ZINC000012001241 558308400 /nfs/dbraw/zinc/30/84/00/558308400.db2.gz CAAHSDKQDBUQSQ-HXUWFJFHSA-N 1 1 406.505 4.122 50 0 HIAAMO Cc1nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2nc1C ZINC000012001241 558308402 /nfs/dbraw/zinc/30/84/02/558308402.db2.gz CAAHSDKQDBUQSQ-HXUWFJFHSA-N 1 1 406.505 4.122 50 0 HIAAMO COc1cccc(-c2nc(C[N@@H+]3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)c1OC ZINC000012090200 558323922 /nfs/dbraw/zinc/32/39/22/558323922.db2.gz WEEGWYHFBYCLSP-KRWDZBQOSA-N 1 1 400.519 4.494 50 0 HIAAMO COc1cccc(-c2nc(C[N@H+]3CCC[C@H](C(=O)CC(C)C)C3)c(C)o2)c1OC ZINC000012090200 558323924 /nfs/dbraw/zinc/32/39/24/558323924.db2.gz WEEGWYHFBYCLSP-KRWDZBQOSA-N 1 1 400.519 4.494 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)CCc1ccccc1F ZINC000012090912 558324235 /nfs/dbraw/zinc/32/42/35/558324235.db2.gz PYKAFPKIRLJGSO-FQEVSTJZSA-N 1 1 400.513 4.311 50 0 HIAAMO CC(C)OCCCNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020064310 558330402 /nfs/dbraw/zinc/33/04/02/558330402.db2.gz HYKQXMLYGAROSR-UHFFFAOYSA-N 1 1 411.615 4.083 50 0 HIAAMO Cc1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc(C)c1O ZINC000012201690 558351451 /nfs/dbraw/zinc/35/14/51/558351451.db2.gz DHXIJRBOHRSJRC-HXUWFJFHSA-N 1 1 404.514 4.045 50 0 HIAAMO Cc1cccn2c(C[N@H+]3C[C@H]4C[C@@H]3CCC4)c(C(=O)N(C)CCc3ccccc3)nc12 ZINC000012303383 558372851 /nfs/dbraw/zinc/37/28/51/558372851.db2.gz VYEWSXMGCQBBFS-YADHBBJMSA-N 1 1 416.569 4.332 50 0 HIAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccn2-c2nccs2)C1 ZINC000012303942 558373432 /nfs/dbraw/zinc/37/34/32/558373432.db2.gz YVPAHZZHFUHTJI-QHCPKHFHSA-N 1 1 409.555 4.322 50 0 HIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020500215 558380810 /nfs/dbraw/zinc/38/08/10/558380810.db2.gz AKSGPXIMBLMPCC-UHFFFAOYSA-N 1 1 411.855 4.115 50 0 HIAAMO O=C(c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000012317694 558381062 /nfs/dbraw/zinc/38/10/62/558381062.db2.gz RSLWFKNNYAWWIT-OAHLLOKOSA-N 1 1 420.460 4.002 50 0 HIAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cc(COc2c(C)cccc2C)on1 ZINC000012433662 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Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+]2CCCN(C=O)CC2)c(C)s1 ZINC000012711490 558452621 /nfs/dbraw/zinc/45/26/21/558452621.db2.gz SCVWXHJRJIUDFW-UHFFFAOYSA-N 1 1 412.534 4.021 50 0 HIAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCCN(C=O)CC2)c(C)s1 ZINC000012711490 558452623 /nfs/dbraw/zinc/45/26/23/558452623.db2.gz SCVWXHJRJIUDFW-UHFFFAOYSA-N 1 1 412.534 4.021 50 0 HIAAMO O=c1nc(CN2CC[NH+](Cc3ccccc3)CC2)[nH]c2scc(-c3cccs3)c21 ZINC000022030102 558458969 /nfs/dbraw/zinc/45/89/69/558458969.db2.gz ILRDCUMZHRDRHF-UHFFFAOYSA-N 1 1 422.579 4.031 50 0 HIAAMO Cc1noc(C)c1COc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000022610748 558501869 /nfs/dbraw/zinc/50/18/69/558501869.db2.gz GIOUSYFCDBUHST-UHFFFAOYSA-N 1 1 419.525 4.219 50 0 HIAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)[NH+](C)C ZINC000022652972 558503971 /nfs/dbraw/zinc/50/39/71/558503971.db2.gz WEARLDHEBLGASI-LJQANCHMSA-N 1 1 423.538 4.042 50 0 HIAAMO COc1cc(C[N@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000013061111 558509604 /nfs/dbraw/zinc/50/96/04/558509604.db2.gz RUKUJKUEASYDBB-ZDUSSCGKSA-N 1 1 412.864 4.259 50 0 HIAAMO COc1cc(C[N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000013061111 558509607 /nfs/dbraw/zinc/50/96/07/558509607.db2.gz RUKUJKUEASYDBB-ZDUSSCGKSA-N 1 1 412.864 4.259 50 0 HIAAMO COc1cc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000013061115 558509674 /nfs/dbraw/zinc/50/96/74/558509674.db2.gz RUKUJKUEASYDBB-CYBMUJFWSA-N 1 1 412.864 4.259 50 0 HIAAMO COc1cc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)ccc1OC(F)F ZINC000013061115 558509676 /nfs/dbraw/zinc/50/96/76/558509676.db2.gz RUKUJKUEASYDBB-CYBMUJFWSA-N 1 1 412.864 4.259 50 0 HIAAMO COc1ccc(Nc2nc(CN3CC[NH+](Cc4ccsc4)CC3)cs2)cc1 ZINC000022783895 558510190 /nfs/dbraw/zinc/51/01/90/558510190.db2.gz XJDFNDNFTBYWLE-UHFFFAOYSA-N 1 1 400.573 4.275 50 0 HIAAMO C[C@@H](c1nnc(-c2cccs2)o1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000022803859 558513526 /nfs/dbraw/zinc/51/35/26/558513526.db2.gz FVGCDIXBPMTQTD-HNNXBMFYSA-N 1 1 418.950 4.209 50 0 HIAAMO C[NH+]1CCN(C(C)(C)CNc2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000022933602 558525473 /nfs/dbraw/zinc/52/54/73/558525473.db2.gz NOSMRULKJGDGRI-UHFFFAOYSA-N 1 1 415.994 4.450 50 0 HIAAMO CC(C)C[N@H+]1CCO[C@@H](CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)C1 ZINC000023762190 558574736 /nfs/dbraw/zinc/57/47/36/558574736.db2.gz YBKCMRIFTZBEEV-LJQANCHMSA-N 1 1 402.608 4.229 50 0 HIAAMO COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccc(C)cc2)cc1 ZINC000013758901 558590808 /nfs/dbraw/zinc/59/08/08/558590808.db2.gz QPJHFYHVBGKHGY-ICDZXHCJSA-N 1 1 408.542 4.310 50 0 HIAAMO COc1cc2c(c(Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C)c1O)[C@@H](C)N(C)CC2 ZINC000024718378 558608807 /nfs/dbraw/zinc/60/88/07/558608807.db2.gz PWFLHIQSZMYWPN-HUUCEWRRSA-N 1 1 412.530 4.300 50 0 HIAAMO O=C(c1cc2c(s1)n(-c1ccccc1)nc2C(F)(F)F)N1CC[N@H+]2CCC[C@H]2C1 ZINC000013961107 558608971 /nfs/dbraw/zinc/60/89/71/558608971.db2.gz XSTMCDHTGMLDOV-AWEZNQCLSA-N 1 1 420.460 4.026 50 0 HIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000025182451 558633978 /nfs/dbraw/zinc/63/39/78/558633978.db2.gz NYDHVJOBJBKPRZ-OAQYLSRUSA-N 1 1 416.481 4.292 50 0 HIAAMO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([N@@H+](C)CCC13CC4CC(CC(C4)C1)C3)C2 ZINC000014535435 558658102 /nfs/dbraw/zinc/65/81/02/558658102.db2.gz AJPJYRPIUWZPAP-FMSQDJPCSA-N 1 1 424.633 4.052 50 0 HIAAMO O=C([C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1)N1CCCC1 ZINC000014740449 558666495 /nfs/dbraw/zinc/66/64/95/558666495.db2.gz JVOZETGPVZXFAL-WIOPSUGQSA-N 1 1 418.581 4.315 50 0 HIAAMO CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1COc2ccccc2O1 ZINC000026922170 558667243 /nfs/dbraw/zinc/66/72/43/558667243.db2.gz FAWGBSGUTQJLDH-OAHLLOKOSA-N 1 1 409.313 4.484 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950711 558681086 /nfs/dbraw/zinc/68/10/86/558681086.db2.gz RDFAZHNVPJSAGS-HXUWFJFHSA-N 1 1 413.631 4.417 50 0 HIAAMO Cc1noc(C)c1CCC(=O)NCC1([N@@H+](C)Cc2ccccc2)Cc2ccccc2C1 ZINC000014959930 558683637 /nfs/dbraw/zinc/68/36/37/558683637.db2.gz RLVXQCZUDSUGKK-UHFFFAOYSA-N 1 1 417.553 4.010 50 0 HIAAMO NC(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000015061723 558704884 /nfs/dbraw/zinc/70/48/84/558704884.db2.gz BIBZBHXYSGHHDX-HNNXBMFYSA-N 1 1 412.896 4.029 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CCC(=O)c2ccccc2)C1 ZINC000015064121 558706722 /nfs/dbraw/zinc/70/67/22/558706722.db2.gz HPCIHNJDJOCECV-OAQYLSRUSA-N 1 1 422.569 4.071 50 0 HIAAMO OC[C@]1(CCCc2ccccc2)CCC[N@H+](C2CCN(Cc3ccccn3)CC2)C1 ZINC000015066418 558709357 /nfs/dbraw/zinc/70/93/57/558709357.db2.gz YPDPKVCIQWGTHB-AREMUKBSSA-N 1 1 407.602 4.143 50 0 HIAAMO CCOc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1OC ZINC000004555318 558724286 /nfs/dbraw/zinc/72/42/86/558724286.db2.gz PAMQTNGQIKRATH-LJQANCHMSA-N 1 1 401.532 4.351 50 0 HIAAMO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000015312779 558732001 /nfs/dbraw/zinc/73/20/01/558732001.db2.gz ZTFJAJCNZCMECT-HXUWFJFHSA-N 1 1 402.922 4.153 50 0 HIAAMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2cccc(Cl)c2)c1 ZINC000015312779 558732004 /nfs/dbraw/zinc/73/20/04/558732004.db2.gz ZTFJAJCNZCMECT-HXUWFJFHSA-N 1 1 402.922 4.153 50 0 HIAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cc(C)ccc2C)CC1 ZINC000022941999 558794935 /nfs/dbraw/zinc/79/49/35/558794935.db2.gz DIEPRJNKJIPQKC-RXVVDRJESA-N 1 1 416.660 4.419 50 0 HIAAMO Fc1cccc(-c2nnc([C@@H]3CC34CC[NH+](Cc3nc(-c5ccco5)no3)CC4)o2)c1 ZINC000071890560 558807938 /nfs/dbraw/zinc/80/79/38/558807938.db2.gz UXAXCFRCAFXUIY-INIZCTEOSA-N 1 1 421.432 4.288 50 0 HIAAMO COc1ccc(CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000017068437 558813519 /nfs/dbraw/zinc/81/35/19/558813519.db2.gz GPXYQWBHRSNXSJ-UHFFFAOYSA-N 1 1 415.537 4.312 50 0 HIAAMO CC[C@H](C)[C@H](NC(=O)C1CCC(C)CC1)C(=O)NCCC[N@H+]1CCCC[C@@H]1CC ZINC000013573554 558844804 /nfs/dbraw/zinc/84/48/04/558844804.db2.gz PQZWZSQBGGMYCO-GBOYVHCVSA-N 1 1 407.643 4.114 50 0 HIAAMO 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/nfs/dbraw/zinc/90/70/68/558907068.db2.gz PBZGGRFWCSMGQX-HXUWFJFHSA-N 1 1 423.538 4.071 50 0 HIAAMO O=C(C[NH2+][C@@H](c1cccs1)c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 ZINC000058173601 558908819 /nfs/dbraw/zinc/90/88/19/558908819.db2.gz BPZCQEMEDMDPMS-OAQYLSRUSA-N 1 1 423.929 4.300 50 0 HIAAMO Oc1cccc(C[NH+]2CCN(c3ncnc4scc(-c5ccccc5)c43)CC2)c1 ZINC000058224126 558913216 /nfs/dbraw/zinc/91/32/16/558913216.db2.gz LAQKUPIDMSSXDA-UHFFFAOYSA-N 1 1 402.523 4.386 50 0 HIAAMO CSc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1 ZINC000061969826 558947695 /nfs/dbraw/zinc/94/76/95/558947695.db2.gz NALLEZXLFGHVOL-GOSISDBHSA-N 1 1 408.527 4.309 50 0 HIAAMO CSc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1 ZINC000061969826 558947698 /nfs/dbraw/zinc/94/76/98/558947698.db2.gz NALLEZXLFGHVOL-GOSISDBHSA-N 1 1 408.527 4.309 50 0 HIAAMO CCc1ncc(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)cn1 ZINC000072454523 558982929 /nfs/dbraw/zinc/98/29/29/558982929.db2.gz OJTNQMUGJNJKRD-UHFFFAOYSA-N 1 1 405.468 4.088 50 0 HIAAMO C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031392 558985366 /nfs/dbraw/zinc/98/53/66/558985366.db2.gz XKMHUPMHVSUKQK-JXFKEZNVSA-N 1 1 402.995 4.004 50 0 HIAAMO CCN(Cc1ccncc1)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067587444 558987263 /nfs/dbraw/zinc/98/72/63/558987263.db2.gz YDDPEHXJLVXCTH-UHFFFAOYSA-N 1 1 418.541 4.187 50 0 HIAAMO COc1ccc(-c2nc(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)c(C)o2)c(OC)c1 ZINC000067841955 558993752 /nfs/dbraw/zinc/99/37/52/558993752.db2.gz QYNUJXHGCWICAM-UHFFFAOYSA-N 1 1 418.497 4.485 50 0 HIAAMO COc1ccc(-c2nc(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)c(C)o2)c(OC)c1 ZINC000067841955 558993755 /nfs/dbraw/zinc/99/37/55/558993755.db2.gz QYNUJXHGCWICAM-UHFFFAOYSA-N 1 1 418.497 4.485 50 0 HIAAMO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000011287601 559049177 /nfs/dbraw/zinc/04/91/77/559049177.db2.gz ZNVMMBFMXDBEFA-PXDATVDWSA-N 1 1 408.542 4.498 50 0 HIAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000011287601 559049178 /nfs/dbraw/zinc/04/91/78/559049178.db2.gz ZNVMMBFMXDBEFA-PXDATVDWSA-N 1 1 408.542 4.498 50 0 HIAAMO Cc1nc(N2CCOCC2)cc(Nc2ccc(NC(=O)Nc3ccccc3F)cc2)[nH+]1 ZINC000033318597 559056094 /nfs/dbraw/zinc/05/60/94/559056094.db2.gz AHTMMTQJBCGGEB-UHFFFAOYSA-N 1 1 422.464 4.148 50 0 HIAAMO Cc1cccc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000011816857 559260407 /nfs/dbraw/zinc/26/04/07/559260407.db2.gz ZSBJLVRGUGVYKB-XMMPIXPASA-N 1 1 411.565 4.422 50 0 HIAAMO Cc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)n1 ZINC000011816857 559260409 /nfs/dbraw/zinc/26/04/09/559260409.db2.gz ZSBJLVRGUGVYKB-XMMPIXPASA-N 1 1 411.565 4.422 50 0 HIAAMO CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000248182424 559268438 /nfs/dbraw/zinc/26/84/38/559268438.db2.gz ZNVMMBFMXDBEFA-SQJMNOBHSA-N 1 1 408.542 4.498 50 0 HIAAMO CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000248182424 559268440 /nfs/dbraw/zinc/26/84/40/559268440.db2.gz ZNVMMBFMXDBEFA-SQJMNOBHSA-N 1 1 408.542 4.498 50 0 HIAAMO CCN(CC(=O)Nc1ccc(OC(F)F)cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000062581998 560632034 /nfs/dbraw/zinc/63/20/34/560632034.db2.gz VCWORKIBBHLLMB-FXAWDEMLSA-N 1 1 417.500 4.384 50 0 HIAAMO Cc1c2cc(Br)ccc2[nH]c1C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000526052356 560639760 /nfs/dbraw/zinc/63/97/60/560639760.db2.gz BHJAVPVHIGROFR-RDTXWAMCSA-N 1 1 404.352 4.233 50 0 HIAAMO CC[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000103051845 560837030 /nfs/dbraw/zinc/83/70/30/560837030.db2.gz MVOKZXMQPCOOJP-LHSJRXKWSA-N 1 1 402.922 4.095 50 0 HIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@H](C)NC(=O)c1cccc(Cl)c1 ZINC000103051845 560837032 /nfs/dbraw/zinc/83/70/32/560837032.db2.gz MVOKZXMQPCOOJP-LHSJRXKWSA-N 1 1 402.922 4.095 50 0 HIAAMO CCCCc1nn2c(nc(C[N@H+](Cc3ccc(F)cc3)CC(C)C)cc2=O)s1 ZINC000046032218 568424715 /nfs/dbraw/zinc/42/47/15/568424715.db2.gz UCUXQYJLZYUOPA-UHFFFAOYSA-N 1 1 402.539 4.291 50 0 HIAAMO CCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032232 568424737 /nfs/dbraw/zinc/42/47/37/568424737.db2.gz QFCCPGQDPCJQPD-UHFFFAOYSA-N 1 1 408.502 4.055 50 0 HIAAMO CCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(F)cc3)cc2=O)s1 ZINC000046032232 568424738 /nfs/dbraw/zinc/42/47/38/568424738.db2.gz QFCCPGQDPCJQPD-UHFFFAOYSA-N 1 1 408.502 4.055 50 0 HIAAMO CC[N@H+](CCc1ccccn1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000048340637 568440357 /nfs/dbraw/zinc/44/03/57/568440357.db2.gz YVWOPSGJBKJQSK-LJQANCHMSA-N 1 1 424.595 4.447 50 0 HIAAMO CC[N@@H+](CCc1ccccn1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000048340637 568440358 /nfs/dbraw/zinc/44/03/58/568440358.db2.gz YVWOPSGJBKJQSK-LJQANCHMSA-N 1 1 424.595 4.447 50 0 HIAAMO CC[N@H+](CCc1ccccn1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000048340634 568440387 /nfs/dbraw/zinc/44/03/87/568440387.db2.gz YVWOPSGJBKJQSK-IBGZPJMESA-N 1 1 424.595 4.447 50 0 HIAAMO CC[N@@H+](CCc1ccccn1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC000048340634 568440388 /nfs/dbraw/zinc/44/03/88/568440388.db2.gz YVWOPSGJBKJQSK-IBGZPJMESA-N 1 1 424.595 4.447 50 0 HIAAMO Cc1ccc(Sc2cc(C(=O)NCCC[NH+]3CCOCC3)c3ccccc3n2)cc1 ZINC000020105643 568588093 /nfs/dbraw/zinc/58/80/93/568588093.db2.gz OWOKNIVZUXZWTO-UHFFFAOYSA-N 1 1 421.566 4.147 50 0 HIAAMO CCOC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@H]32)cc1 ZINC000390829556 568591943 /nfs/dbraw/zinc/59/19/43/568591943.db2.gz ZTCUOFRRIABOEV-JVSAHFFESA-N 1 1 423.557 4.290 50 0 HIAAMO O=C(COc1ccc(F)cc1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000095394250 568604365 /nfs/dbraw/zinc/60/43/65/568604365.db2.gz OHBKFGDXAQKUBC-UHFFFAOYSA-N 1 1 411.304 4.292 50 0 HIAAMO Cc1c(C(=O)COc2coc(C[NH+]3CCCCCC3)cc2=O)c2ccccc2n1C ZINC000095473151 568628590 /nfs/dbraw/zinc/62/85/90/568628590.db2.gz OUCLDGTZKFBMFA-UHFFFAOYSA-N 1 1 408.498 4.078 50 0 HIAAMO CCC[NH+]1CCN(C(=O)c2cc3cc4ccc(OC)c(Cl)c4nc3s2)CC1 ZINC000020848025 568644499 /nfs/dbraw/zinc/64/44/99/568644499.db2.gz HUPDNEVEVRJKHM-UHFFFAOYSA-N 1 1 403.935 4.279 50 0 HIAAMO CC(C)[S@](=O)c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000225758931 568671720 /nfs/dbraw/zinc/67/17/20/568671720.db2.gz MTFBKAWOTQJTNJ-MNNSJKJDSA-N 1 1 412.599 4.233 50 0 HIAAMO CCSc1ccccc1N1CC[NH+](CCC(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000096026828 568686789 /nfs/dbraw/zinc/68/67/89/568686789.db2.gz QALHNSVNSFRJFH-UHFFFAOYSA-N 1 1 414.571 4.211 50 0 HIAAMO CCCn1ccc(C(=O)N2CC[NH+]([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)n1 ZINC000096183710 568703082 /nfs/dbraw/zinc/70/30/82/568703082.db2.gz AXTQHIMKZGJRRD-RUZDIDTESA-N 1 1 416.569 4.457 50 0 HIAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cc(C)ccc2F)CC1 ZINC000096292479 568721169 /nfs/dbraw/zinc/72/11/69/568721169.db2.gz BNEUBNRWIMSGHH-FQEVSTJZSA-N 1 1 407.533 4.312 50 0 HIAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCN(Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445145 568726139 /nfs/dbraw/zinc/72/61/39/568726139.db2.gz HBSDGYCMKJUUGD-DEOSSOPVSA-N 1 1 408.521 4.199 50 0 HIAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445145 568726140 /nfs/dbraw/zinc/72/61/40/568726140.db2.gz HBSDGYCMKJUUGD-DEOSSOPVSA-N 1 1 408.521 4.199 50 0 HIAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](Cc4nc5ccccc5[nH]4)C3)C2)c1 ZINC000012445145 568726141 /nfs/dbraw/zinc/72/61/41/568726141.db2.gz HBSDGYCMKJUUGD-DEOSSOPVSA-N 1 1 408.521 4.199 50 0 HIAAMO CCN(C)C(=O)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247953249 568746034 /nfs/dbraw/zinc/74/60/34/568746034.db2.gz CKUVPORESAPVFC-UHFFFAOYSA-N 1 1 424.976 4.428 50 0 HIAAMO Cn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)nc2ccccc21 ZINC000247961237 568746198 /nfs/dbraw/zinc/74/61/98/568746198.db2.gz DXBQZSCDNZKPNL-HNNXBMFYSA-N 1 1 416.447 4.443 50 0 HIAAMO Cn1c(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3C(F)(F)F)C2)nc2ccccc21 ZINC000247961237 568746200 /nfs/dbraw/zinc/74/62/00/568746200.db2.gz DXBQZSCDNZKPNL-HNNXBMFYSA-N 1 1 416.447 4.443 50 0 HIAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3cccc(Cl)c3C)s2)CC1 ZINC000021880871 568757160 /nfs/dbraw/zinc/75/71/60/568757160.db2.gz PMHXDNRYDVBIRL-UHFFFAOYSA-N 1 1 416.982 4.045 50 0 HIAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000022460575 568768422 /nfs/dbraw/zinc/76/84/22/568768422.db2.gz OGKMVRDUDFZFSR-KXBFYZLASA-N 1 1 423.051 4.455 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000057369565 568829682 /nfs/dbraw/zinc/82/96/82/568829682.db2.gz YINFPSXIVHPCDX-GOSISDBHSA-N 1 1 419.550 4.485 50 0 HIAAMO O=C(C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000057369565 568829683 /nfs/dbraw/zinc/82/96/83/568829683.db2.gz YINFPSXIVHPCDX-GOSISDBHSA-N 1 1 419.550 4.485 50 0 HIAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCOCCO)cc1Cl ZINC000002974738 568832430 /nfs/dbraw/zinc/83/24/30/568832430.db2.gz ZWWGSCVVLZWCSO-UHFFFAOYSA-N 1 1 422.916 4.470 50 0 HIAAMO CC[C@H]1CCC[N@@H+]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003064181 568853206 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XPCDCSADDXHTLW-NRFANRHFSA-N 1 1 412.599 4.444 50 0 HIAAMO CCn1ccnc1CN(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011754209 558273084 /nfs/dbraw/zinc/27/30/84/558273084.db2.gz GLHFNZKFUABOLK-IBGZPJMESA-N 1 1 408.512 4.308 50 0 HIAAMO CCn1ccnc1CN(C)C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000011754210 558273144 /nfs/dbraw/zinc/27/31/44/558273144.db2.gz GLHFNZKFUABOLK-LJQANCHMSA-N 1 1 408.512 4.308 50 0 HIAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4cccs4)cc3OC)C2)CC1 ZINC000011814705 558278958 /nfs/dbraw/zinc/27/89/58/558278958.db2.gz XBXAZXMXBVCRMK-UHFFFAOYSA-N 1 1 416.543 4.239 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)COc1ccccc1 ZINC000011815080 558279045 /nfs/dbraw/zinc/27/90/45/558279045.db2.gz RSHGSCQBJWTOQA-FQEVSTJZSA-N 1 1 400.950 4.132 50 0 HIAAMO COC[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000011817356 558280585 /nfs/dbraw/zinc/28/05/85/558280585.db2.gz KWEVTJRVAPRRQD-NRFANRHFSA-N 1 1 405.498 4.269 50 0 HIAAMO CCCCc1nc(CN(C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)c[nH]1 ZINC000011819885 558282956 /nfs/dbraw/zinc/28/29/56/558282956.db2.gz FDEFMMWCKBGRJT-HSZRJFAPSA-N 1 1 402.627 4.388 50 0 HIAAMO CN1CCN(C(=O)CC[C@H]2CCC[N@@H+](Cc3sc4ccccc4c3Cl)C2)CC1 ZINC000011844090 558288862 /nfs/dbraw/zinc/28/88/62/558288862.db2.gz GXLXCIVCODYYFW-QGZVFWFLSA-N 1 1 420.022 4.321 50 0 HIAAMO c1sc(C[N@H+]2CCc3nnc(CCc4ccccc4)n3CC2)nc1-c1ccccc1 ZINC000011998915 558307686 /nfs/dbraw/zinc/30/76/86/558307686.db2.gz BHQAVKWTRYVOTK-UHFFFAOYSA-N 1 1 415.566 4.245 50 0 HIAAMO c1sc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)nc1-c1ccccc1 ZINC000011998915 558307689 /nfs/dbraw/zinc/30/76/89/558307689.db2.gz BHQAVKWTRYVOTK-UHFFFAOYSA-N 1 1 415.566 4.245 50 0 HIAAMO CC(C)c1ccc(C[N@H+]2CCC[C@@]3(CCN(C(=O)CCc4cnccn4)C3)C2)cc1 ZINC000012052719 558314632 /nfs/dbraw/zinc/31/46/32/558314632.db2.gz QSOPSUBRLFQWCY-RUZDIDTESA-N 1 1 406.574 4.047 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC000012056379 558315929 /nfs/dbraw/zinc/31/59/29/558315929.db2.gz QFOPGACATALYJV-LJQANCHMSA-N 1 1 405.542 4.203 50 0 HIAAMO COc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c1 ZINC000012112055 558326376 /nfs/dbraw/zinc/32/63/76/558326376.db2.gz ABJSREYYGHZJPU-LJQANCHMSA-N 1 1 411.546 4.122 50 0 HIAAMO COC(=O)c1sc2nc(C[N@@H+](C)C(C)C)ccc2c1NC(=O)c1ccc(F)cc1 ZINC000012134634 558333498 /nfs/dbraw/zinc/33/34/98/558333498.db2.gz PIXRTJLSRFWCTB-UHFFFAOYSA-N 1 1 415.490 4.315 50 0 HIAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc32)CC1 ZINC000020220112 558348950 /nfs/dbraw/zinc/34/89/50/558348950.db2.gz FLCXCCWJTJUYGX-UHFFFAOYSA-N 1 1 410.315 4.052 50 0 HIAAMO O=C(C[C@@H](c1cccc(O)c1)c1ccccc1O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000012203072 558351952 /nfs/dbraw/zinc/35/19/52/558351952.db2.gz IWQXARWYHKUIHA-QHCPKHFHSA-N 1 1 408.542 4.097 50 0 HIAAMO CN(Cc1ccc(Oc2ncccn2)cc1)[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000020387195 558359123 /nfs/dbraw/zinc/35/91/23/558359123.db2.gz ZXSUISCHSSZNFM-HSZRJFAPSA-N 1 1 414.553 4.333 50 0 HIAAMO O=C(CCc1ccccc1)NC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000020454330 558368269 /nfs/dbraw/zinc/36/82/69/558368269.db2.gz SUIIKFLFUGBNTI-LJQANCHMSA-N 1 1 402.485 4.249 50 0 HIAAMO C[N@H+](Cc1cc(=O)c2ccccc2[nH]1)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000012307551 558376124 /nfs/dbraw/zinc/37/61/24/558376124.db2.gz YOGVUMYLSNLYGP-HXUWFJFHSA-N 1 1 407.533 4.466 50 0 HIAAMO CN(Cc1cc(=O)c2ccccc2[nH]1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012307551 558376126 /nfs/dbraw/zinc/37/61/26/558376126.db2.gz YOGVUMYLSNLYGP-HXUWFJFHSA-N 1 1 407.533 4.466 50 0 HIAAMO CN(Cc1cc(=O)c2ccccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012307551 558376127 /nfs/dbraw/zinc/37/61/27/558376127.db2.gz YOGVUMYLSNLYGP-HXUWFJFHSA-N 1 1 407.533 4.466 50 0 HIAAMO CCN(Cc1nc2ccccc2[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012429328 558404135 /nfs/dbraw/zinc/40/41/35/558404135.db2.gz MWXMOILSPYXCIO-OAQYLSRUSA-N 1 1 406.574 4.348 50 0 HIAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cn(C)c2ccccc12 ZINC000012434622 558408649 /nfs/dbraw/zinc/40/86/49/558408649.db2.gz MOELUZHLPAJFFC-FQEVSTJZSA-N 1 1 407.533 4.344 50 0 HIAAMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000012440293 558411422 /nfs/dbraw/zinc/41/14/22/558411422.db2.gz WIMOQNNYGHSPBT-HNNXBMFYSA-N 1 1 422.476 4.248 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)cc2c1OCO2 ZINC000012465727 558420505 /nfs/dbraw/zinc/42/05/05/558420505.db2.gz MSCVXEWMMPFVSN-MRXNPFEDSA-N 1 1 414.477 4.194 50 0 HIAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012595019 558437204 /nfs/dbraw/zinc/43/72/04/558437204.db2.gz MFTLKGSZAFWWHL-JOCHJYFZSA-N 1 1 403.519 4.478 50 0 HIAAMO CCOC(=O)[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2csc(C(C)=O)c2)C1 ZINC000012595019 558437206 /nfs/dbraw/zinc/43/72/06/558437206.db2.gz MFTLKGSZAFWWHL-JOCHJYFZSA-N 1 1 403.519 4.478 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccc(F)cc4)CC3)nc(C)[nH+]2)cc1 ZINC000021795318 558449555 /nfs/dbraw/zinc/44/95/55/558449555.db2.gz MJKXJUJAJBVRLU-UHFFFAOYSA-N 1 1 420.492 4.330 50 0 HIAAMO COc1ccc(COC[C@@H](O)C[N@H+](C)Cc2cccc(Cl)c2Cl)cc1OC ZINC000021842677 558451975 /nfs/dbraw/zinc/45/19/75/558451975.db2.gz UILWXFKMTDKDNP-INIZCTEOSA-N 1 1 414.329 4.020 50 0 HIAAMO COc1ccc(COC[C@@H](O)C[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1OC ZINC000021842677 558451977 /nfs/dbraw/zinc/45/19/77/558451977.db2.gz UILWXFKMTDKDNP-INIZCTEOSA-N 1 1 414.329 4.020 50 0 HIAAMO Cc1nn(Cc2ccc(C)cc2)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)cc12 ZINC000012785660 558463211 /nfs/dbraw/zinc/46/32/11/558463211.db2.gz NFDWYJSELSZHHZ-IBGZPJMESA-N 1 1 422.554 4.389 50 0 HIAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000012793560 558467123 /nfs/dbraw/zinc/46/71/23/558467123.db2.gz JLPZEWZNPHTJLP-UHFFFAOYSA-N 1 1 404.913 4.371 50 0 HIAAMO CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000012793560 558467124 /nfs/dbraw/zinc/46/71/24/558467124.db2.gz JLPZEWZNPHTJLP-UHFFFAOYSA-N 1 1 404.913 4.371 50 0 HIAAMO O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000012798034 558470244 /nfs/dbraw/zinc/47/02/44/558470244.db2.gz BMLFUOUDJBHGKX-HSZRJFAPSA-N 1 1 423.532 4.230 50 0 HIAAMO CC[C@H](NC(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000022437613 558489754 /nfs/dbraw/zinc/48/97/54/558489754.db2.gz YWATUTLSDKJTRC-NRFANRHFSA-N 1 1 401.938 4.123 50 0 HIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000013096182 558512866 /nfs/dbraw/zinc/51/28/66/558512866.db2.gz AODWSPZWYKFSBZ-GOSISDBHSA-N 1 1 417.509 4.407 50 0 HIAAMO COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000013096182 558512869 /nfs/dbraw/zinc/51/28/69/558512869.db2.gz AODWSPZWYKFSBZ-GOSISDBHSA-N 1 1 417.509 4.407 50 0 HIAAMO CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013126954 558518663 /nfs/dbraw/zinc/51/86/63/558518663.db2.gz QXLHYGRRGSLJMT-UHFFFAOYSA-N 1 1 423.904 4.300 50 0 HIAAMO CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000013126954 558518667 /nfs/dbraw/zinc/51/86/67/558518667.db2.gz QXLHYGRRGSLJMT-UHFFFAOYSA-N 1 1 423.904 4.300 50 0 HIAAMO CCOc1ccccc1-c1nc(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000023076376 558533180 /nfs/dbraw/zinc/53/31/80/558533180.db2.gz HSEGYZMMIDVLQO-IBGZPJMESA-N 1 1 421.566 4.142 50 0 HIAAMO CN(C(=O)c1cccc(OC2CCN(C3CC[NH+](C)CC3)CC2)c1)C1CCCCC1 ZINC000023159156 558539880 /nfs/dbraw/zinc/53/98/80/558539880.db2.gz XCFLTOWLROVCIX-UHFFFAOYSA-N 1 1 413.606 4.029 50 0 HIAAMO CC(C)C[N@H+]1CCO[C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c32)CCC4)C1 ZINC000024602327 558602400 /nfs/dbraw/zinc/60/24/00/558602400.db2.gz WZBNKLGHUGBFFF-KRWDZBQOSA-N 1 1 423.586 4.011 50 0 HIAAMO COc1ccccc1[C@H](CNC(=O)c1ccccc1OCc1ccc(F)cc1)[NH+](C)C ZINC000024982227 558624438 /nfs/dbraw/zinc/62/44/38/558624438.db2.gz BHZULGJKCTYZPA-QFIPXVFZSA-N 1 1 422.500 4.446 50 0 HIAAMO Cc1nc2sc3c(c2c(NC2CC[NH+](CC(=O)Nc4ccccc4)CC2)n1)CCC3 ZINC000014200208 558635971 /nfs/dbraw/zinc/63/59/71/558635971.db2.gz NXMGTJADNVMZOQ-UHFFFAOYSA-N 1 1 421.570 4.003 50 0 HIAAMO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014200935 558636538 /nfs/dbraw/zinc/63/65/38/558636538.db2.gz OAKOVNVYZPJBSD-MDNUFGMLSA-N 1 1 409.526 4.050 50 0 HIAAMO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)c(C)c1 ZINC000014244038 558645509 /nfs/dbraw/zinc/64/55/09/558645509.db2.gz WUNLFBOTFPCAGZ-FQEVSTJZSA-N 1 1 419.550 4.425 50 0 HIAAMO COc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(C)ccc3o2)[NH+]2CCCCC2)cc1 ZINC000027668109 558679965 /nfs/dbraw/zinc/67/99/65/558679965.db2.gz QMPIAXMQHGIXEO-NRFANRHFSA-N 1 1 420.509 4.067 50 0 HIAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)C2)cc1OC ZINC000014948409 558680299 /nfs/dbraw/zinc/68/02/99/558680299.db2.gz WZVHDYXMWNOPAJ-KRWDZBQOSA-N 1 1 405.441 4.400 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3nc4c(s3)CCCC4)C2)cc1 ZINC000014950707 558681059 /nfs/dbraw/zinc/68/10/59/558681059.db2.gz RDFAZHNVPJSAGS-FQEVSTJZSA-N 1 1 413.631 4.417 50 0 HIAAMO Cc1ncoc1C(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000014963108 558684754 /nfs/dbraw/zinc/68/47/54/558684754.db2.gz VJLUANJOYHOHCP-KRWDZBQOSA-N 1 1 409.452 4.029 50 0 HIAAMO COc1cc(OC)c(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1 ZINC000014964543 558685481 /nfs/dbraw/zinc/68/54/81/558685481.db2.gz GPFWVZSWUJTBFM-MRXNPFEDSA-N 1 1 403.906 4.461 50 0 HIAAMO COc1cc(OC)c(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c(OC)c1 ZINC000014964543 558685484 /nfs/dbraw/zinc/68/54/84/558685484.db2.gz GPFWVZSWUJTBFM-MRXNPFEDSA-N 1 1 403.906 4.461 50 0 HIAAMO CCOC(=O)C1(Cc2cccc(OC)c2)CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000014966272 558685672 /nfs/dbraw/zinc/68/56/72/558685672.db2.gz ZORWYDNZNPEUEZ-UHFFFAOYSA-N 1 1 409.526 4.286 50 0 HIAAMO Cc1c([C@@H](C)[NH2+]Cc2sc(N(C)C)nc2Cl)cnn1-c1ccc(F)cc1F ZINC000014971693 558687529 /nfs/dbraw/zinc/68/75/29/558687529.db2.gz MTJLLYLAAIOZHP-SNVBAGLBSA-N 1 1 411.909 4.486 50 0 HIAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000014972184 558687762 /nfs/dbraw/zinc/68/77/62/558687762.db2.gz QZPAZTORWJXFBF-KRWDZBQOSA-N 1 1 416.518 4.283 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1)c1cccc2ccccc21 ZINC000014975033 558689051 /nfs/dbraw/zinc/68/90/51/558689051.db2.gz IREOIFBXDWDDOB-FQEVSTJZSA-N 1 1 400.522 4.417 50 0 HIAAMO O=C(NC[C@@H](c1cccs1)[NH+]1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028288939 558695725 /nfs/dbraw/zinc/69/57/25/558695725.db2.gz GMZNPPRPWZUWHK-INIZCTEOSA-N 1 1 416.930 4.465 50 0 HIAAMO CCn1cc(C[N@@H+]2CCC[C@@H]2C(=O)Nc2ccccc2-c2ccc(OC)cc2)cn1 ZINC000015063319 558705918 /nfs/dbraw/zinc/70/59/18/558705918.db2.gz ZVBBIEBQDCGAET-HSZRJFAPSA-N 1 1 404.514 4.182 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@@H]2C(=O)Nc2ccccc2-c2ccc(OC)cc2)cn1 ZINC000015063319 558705921 /nfs/dbraw/zinc/70/59/21/558705921.db2.gz ZVBBIEBQDCGAET-HSZRJFAPSA-N 1 1 404.514 4.182 50 0 HIAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC ZINC000004555332 558724321 /nfs/dbraw/zinc/72/43/21/558724321.db2.gz GPJKVCMAIPRVPT-LJQANCHMSA-N 1 1 401.532 4.351 50 0 HIAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000015310288 558731613 /nfs/dbraw/zinc/73/16/13/558731613.db2.gz CMPSZHSEHODNIH-JOCHJYFZSA-N 1 1 408.542 4.260 50 0 HIAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000015310288 558731616 /nfs/dbraw/zinc/73/16/16/558731616.db2.gz CMPSZHSEHODNIH-JOCHJYFZSA-N 1 1 408.542 4.260 50 0 HIAAMO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000030955474 558747198 /nfs/dbraw/zinc/74/71/98/558747198.db2.gz FXLWFLTYIKMECD-IBGZPJMESA-N 1 1 418.541 4.086 50 0 HIAAMO CCc1ccc(C[N@@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)cc1 ZINC000015778975 558753106 /nfs/dbraw/zinc/75/31/06/558753106.db2.gz QKQDFPXFLLLPQU-UHFFFAOYSA-N 1 1 404.514 4.358 50 0 HIAAMO CCc1ccc(C[N@H+]2CCc3nc(Nc4ccc(OC)cc4OC)ncc3C2)cc1 ZINC000015778975 558753109 /nfs/dbraw/zinc/75/31/09/558753109.db2.gz QKQDFPXFLLLPQU-UHFFFAOYSA-N 1 1 404.514 4.358 50 0 HIAAMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 ZINC000015859677 558757285 /nfs/dbraw/zinc/75/72/85/558757285.db2.gz YSBIRLVICNBQJR-OAQYLSRUSA-N 1 1 405.498 4.380 50 0 HIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+](C)C)o1 ZINC000015860404 558758170 /nfs/dbraw/zinc/75/81/70/558758170.db2.gz NTCPCXCBUNFCPM-MRXNPFEDSA-N 1 1 418.291 4.038 50 0 HIAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4cc(C)n[nH]4)C3)cc2)c1 ZINC000015935058 558762940 /nfs/dbraw/zinc/76/29/40/558762940.db2.gz MSSFTQMFPUPUOQ-FQEVSTJZSA-N 1 1 404.514 4.244 50 0 HIAAMO Cc1ccc(-c2cc(C(=O)NCCC[NH+]3CCOCC3)c3cc(C)ccc3n2)s1 ZINC000017088330 558817163 /nfs/dbraw/zinc/81/71/63/558817163.db2.gz YMLSFZDBXMOZJY-UHFFFAOYSA-N 1 1 409.555 4.032 50 0 HIAAMO COc1ccc(-c2noc(C[NH+]3CCC(c4nc5cc(F)ccc5[nH]4)CC3)n2)cc1 ZINC000019112989 558841939 /nfs/dbraw/zinc/84/19/39/558841939.db2.gz VJDONHQOLBKVKF-UHFFFAOYSA-N 1 1 407.449 4.140 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccn2-c2ccccn2)C1)NCc1ccccc1F ZINC000019228547 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Cc1ccc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3Cc3ccc4c(c3)OCO4)C2)c1 ZINC000012218070 558354602 /nfs/dbraw/zinc/35/46/02/558354602.db2.gz QGESLFIUOODENT-IRLDBZIGSA-N 1 1 406.526 4.045 50 0 HIAAMO c1[nH]nc(C2CCCCC2)c1C[N@@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449651 558364872 /nfs/dbraw/zinc/36/48/72/558364872.db2.gz ZFHKXAXHLIVYKM-DEOSSOPVSA-N 1 1 407.606 4.244 50 0 HIAAMO c1[nH]nc(C2CCCCC2)c1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000020449651 558364873 /nfs/dbraw/zinc/36/48/73/558364873.db2.gz ZFHKXAXHLIVYKM-DEOSSOPVSA-N 1 1 407.606 4.244 50 0 HIAAMO Clc1ccc(-c2noc(CN3CCC[N@H+](C4Cc5ccccc5C4)CC3)n2)cc1 ZINC000020455857 558369466 /nfs/dbraw/zinc/36/94/66/558369466.db2.gz JVYDSUZGTNVTGV-UHFFFAOYSA-N 1 1 408.933 4.065 50 0 HIAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)c1 ZINC000012300515 558370424 /nfs/dbraw/zinc/37/04/24/558370424.db2.gz FKSQJOMFWRWWNS-SFHVURJKSA-N 1 1 414.571 4.068 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c(Cl)cc1O ZINC000012314838 558378320 /nfs/dbraw/zinc/37/83/20/558378320.db2.gz ZHKHYQLTLJMOSZ-OAHLLOKOSA-N 1 1 419.905 4.166 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(OC)c3)C2)c(Cl)cc1O ZINC000012314838 558378322 /nfs/dbraw/zinc/37/83/22/558378322.db2.gz ZHKHYQLTLJMOSZ-OAHLLOKOSA-N 1 1 419.905 4.166 50 0 HIAAMO O=C(CCc1[nH]nc2c1CCCC2)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012316874 558380258 /nfs/dbraw/zinc/38/02/58/558380258.db2.gz PNCGCGQLWHTCIX-RUZDIDTESA-N 1 1 412.622 4.116 50 0 HIAAMO O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012316874 558380260 /nfs/dbraw/zinc/38/02/60/558380260.db2.gz PNCGCGQLWHTCIX-RUZDIDTESA-N 1 1 412.622 4.116 50 0 HIAAMO O=C(CCc1n[nH]c2c1CCCC2)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012316874 558380262 /nfs/dbraw/zinc/38/02/62/558380262.db2.gz PNCGCGQLWHTCIX-RUZDIDTESA-N 1 1 412.622 4.116 50 0 HIAAMO Cc1cc(C[NH+]2CCC(n3nccc3NC(=O)Nc3ccccc3Cl)CC2)[nH]n1 ZINC000012317404 558380861 /nfs/dbraw/zinc/38/08/61/558380861.db2.gz ANVGHASPZCYWGR-UHFFFAOYSA-N 1 1 413.913 4.049 50 0 HIAAMO Cc1nn2c(nc(C(C)(C)C)cc2NCCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000020502491 558381086 /nfs/dbraw/zinc/38/10/86/558381086.db2.gz DGPQYHUVSRSFEN-UHFFFAOYSA-N 1 1 407.562 4.136 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c(OC)c1 ZINC000012386991 558395802 /nfs/dbraw/zinc/39/58/02/558395802.db2.gz VQUQISCMPDPTLF-SFHVURJKSA-N 1 1 414.521 4.152 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C2)cc1F ZINC000012387238 558396073 /nfs/dbraw/zinc/39/60/73/558396073.db2.gz XNZZRXRYLUGBHM-HXUWFJFHSA-N 1 1 407.489 4.423 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1 ZINC000012432278 558406693 /nfs/dbraw/zinc/40/66/93/558406693.db2.gz WYFYZNXFBNRHFD-JOCHJYFZSA-N 1 1 418.541 4.429 50 0 HIAAMO OCC[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccccc1F ZINC000020773977 558411869 /nfs/dbraw/zinc/41/18/69/558411869.db2.gz VPOAUROSANFTSA-FQEVSTJZSA-N 1 1 411.546 4.018 50 0 HIAAMO OCC[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccccc1F ZINC000020773977 558411870 /nfs/dbraw/zinc/41/18/70/558411870.db2.gz VPOAUROSANFTSA-FQEVSTJZSA-N 1 1 411.546 4.018 50 0 HIAAMO COc1cccc(-c2ccc(NC(=O)[C@H]3CCC[N@@H+](CCCn4cccn4)C3)cc2)c1 ZINC000012453764 558416584 /nfs/dbraw/zinc/41/65/84/558416584.db2.gz KNSJONRHRWFWHY-QFIPXVFZSA-N 1 1 418.541 4.300 50 0 HIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000012475118 558422668 /nfs/dbraw/zinc/42/26/68/558422668.db2.gz SZUPKKUWHQETQN-MRXNPFEDSA-N 1 1 412.452 4.221 50 0 HIAAMO COCc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)ccc1OC ZINC000012571280 558429451 /nfs/dbraw/zinc/42/94/51/558429451.db2.gz WIEDCWJHLKYNFD-KRWDZBQOSA-N 1 1 401.478 4.084 50 0 HIAAMO COCc1cc(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)ccc1OC ZINC000012571280 558429454 /nfs/dbraw/zinc/42/94/54/558429454.db2.gz WIEDCWJHLKYNFD-KRWDZBQOSA-N 1 1 401.478 4.084 50 0 HIAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(-n3cccn3)c2)C1 ZINC000012576084 558430582 /nfs/dbraw/zinc/43/05/82/558430582.db2.gz XQXZJYVDGFJINN-HXUWFJFHSA-N 1 1 404.514 4.122 50 0 HIAAMO O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc2ncccc21 ZINC000021333242 558436075 /nfs/dbraw/zinc/43/60/75/558436075.db2.gz UXBZKLZBNAVYOZ-UHFFFAOYSA-N 1 1 403.482 4.347 50 0 HIAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)c1 ZINC000012592116 558436177 /nfs/dbraw/zinc/43/61/77/558436177.db2.gz BQLNBHVKRBHMAX-KRWDZBQOSA-N 1 1 408.498 4.092 50 0 HIAAMO COc1ccccc1[C@@H](CNC(=O)c1cc(-c2ccc3c(c2)CCCC3)on1)[NH+](C)C ZINC000021805346 558450267 /nfs/dbraw/zinc/45/02/67/558450267.db2.gz SJGRQBDPTCRQJS-JOCHJYFZSA-N 1 1 419.525 4.262 50 0 HIAAMO C[NH+](C)[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccco1 ZINC000012786681 558463248 /nfs/dbraw/zinc/46/32/48/558463248.db2.gz ZNSMNADWXBYTRF-OAQYLSRUSA-N 1 1 400.482 4.165 50 0 HIAAMO CCOC(=O)Nc1cccc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)c1 ZINC000022295463 558477019 /nfs/dbraw/zinc/47/70/19/558477019.db2.gz DVCDMDMFZOBWNS-GASCZTMLSA-N 1 1 416.547 4.442 50 0 HIAAMO CCOC(=O)Nc1cccc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)c1 ZINC000022295463 558477021 /nfs/dbraw/zinc/47/70/21/558477021.db2.gz DVCDMDMFZOBWNS-GASCZTMLSA-N 1 1 416.547 4.442 50 0 HIAAMO COc1ccc2cc(C(=O)[C@H]3CCC[N@@H+](Cc4cnc(N(C)C)s4)C3)ccc2c1 ZINC000023128566 558536237 /nfs/dbraw/zinc/53/62/37/558536237.db2.gz QKVATIMXBGVBKW-IBGZPJMESA-N 1 1 409.555 4.466 50 0 HIAAMO CCN1C[C@@H](C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1=O ZINC000013594454 558546953 /nfs/dbraw/zinc/54/69/53/558546953.db2.gz QCGWBWHIOXGCBH-OAQYLSRUSA-N 1 1 416.569 4.456 50 0 HIAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1F ZINC000023337920 558550055 /nfs/dbraw/zinc/55/00/55/558550055.db2.gz PNPHCEPLWAYZRA-INIZCTEOSA-N 1 1 405.477 4.480 50 0 HIAAMO O=C1NC2(CCCCCC2)C(=O)N1C[NH+](CCc1ccccc1)CCc1ccccc1 ZINC000023761760 558574425 /nfs/dbraw/zinc/57/44/25/558574425.db2.gz KGLLLSZCSYTNRN-UHFFFAOYSA-N 1 1 419.569 4.376 50 0 HIAAMO OCC[NH2+]CCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000013733280 558587671 /nfs/dbraw/zinc/58/76/71/558587671.db2.gz KCEOYZBRFOFWMB-UHFFFAOYSA-N 1 1 406.357 4.058 50 0 HIAAMO Cc1nc(COc2ccc(C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2)cs1 ZINC000014140238 558624797 /nfs/dbraw/zinc/62/47/97/558624797.db2.gz ALBSXEXDZNXWRR-HXUWFJFHSA-N 1 1 407.539 4.035 50 0 HIAAMO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc(OCC)c1OCC ZINC000014188281 558631907 /nfs/dbraw/zinc/63/19/07/558631907.db2.gz NWDOCYQMPRTGRM-HXUWFJFHSA-N 1 1 412.530 4.012 50 0 HIAAMO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc(OCC)c1OCC ZINC000014188281 558631909 /nfs/dbraw/zinc/63/19/09/558631909.db2.gz NWDOCYQMPRTGRM-HXUWFJFHSA-N 1 1 412.530 4.012 50 0 HIAAMO C[C@@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCCC2 ZINC000026299819 558658608 /nfs/dbraw/zinc/65/86/08/558658608.db2.gz DPLKYXYRQXYXQW-MOPGFXCFSA-N 1 1 417.557 4.016 50 0 HIAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C2)cc1OC ZINC000014971246 558687323 /nfs/dbraw/zinc/68/73/23/558687323.db2.gz RQPIKXYYWCSHOS-OAQYLSRUSA-N 1 1 419.525 4.293 50 0 HIAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028288974 558695834 /nfs/dbraw/zinc/69/58/34/558695834.db2.gz LNHGZLAPCBQNKR-SFHVURJKSA-N 1 1 410.539 4.374 50 0 HIAAMO O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H]2C[N@@H+](C/C=C/c3ccccc3)CC[C@H]21 ZINC000014996888 558696371 /nfs/dbraw/zinc/69/63/71/558696371.db2.gz NRUZJMPQTIOAOZ-CEYISNLHSA-N 1 1 418.537 4.098 50 0 HIAAMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(Cl)c2N2CCOCC2)C1 ZINC000072277760 558703170 /nfs/dbraw/zinc/70/31/70/558703170.db2.gz BFMJEMDCAZXQLS-QGZVFWFLSA-N 1 1 423.001 4.199 50 0 HIAAMO C[N@@H+](CCOc1ccccc1F)Cc1cc(=O)oc2cc(Br)ccc12 ZINC000015046307 558704239 /nfs/dbraw/zinc/70/42/39/558704239.db2.gz MGFBIOIEBOQIIX-UHFFFAOYSA-N 1 1 406.251 4.205 50 0 HIAAMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nc2-c2ccccc2Cl)C1 ZINC000015061721 558704862 /nfs/dbraw/zinc/70/48/62/558704862.db2.gz BIBZBHXYSGHHDX-OAHLLOKOSA-N 1 1 412.896 4.029 50 0 HIAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015063999 558706692 /nfs/dbraw/zinc/70/66/92/558706692.db2.gz PNOHLDPCJKYNSJ-FQEVSTJZSA-N 1 1 406.505 4.261 50 0 HIAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000015063999 558706696 /nfs/dbraw/zinc/70/66/96/558706696.db2.gz PNOHLDPCJKYNSJ-FQEVSTJZSA-N 1 1 406.505 4.261 50 0 HIAAMO CSc1ncc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)cn1 ZINC000015063985 558706786 /nfs/dbraw/zinc/70/67/86/558706786.db2.gz FMKNEWGMXGGMRW-MRXNPFEDSA-N 1 1 402.539 4.277 50 0 HIAAMO CSc1ncc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccc(F)cc3C)C2)cn1 ZINC000015063985 558706789 /nfs/dbraw/zinc/70/67/89/558706789.db2.gz FMKNEWGMXGGMRW-MRXNPFEDSA-N 1 1 402.539 4.277 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(OC)c1 ZINC000015075737 558716381 /nfs/dbraw/zinc/71/63/81/558716381.db2.gz IXDCXCFLXMGKBJ-QFIPXVFZSA-N 1 1 424.585 4.445 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000015077442 558717108 /nfs/dbraw/zinc/71/71/08/558717108.db2.gz DJQBMYYNMRACEK-SANMLTNESA-N 1 1 419.613 4.066 50 0 HIAAMO COc1ccc([C@@H]([NH2+]CC(=O)NCc2ccc(Cl)cc2)c2ccc(F)cc2)cc1 ZINC000060089085 558728190 /nfs/dbraw/zinc/72/81/90/558728190.db2.gz BJCKEFLUQGCEOO-QHCPKHFHSA-N 1 1 412.892 4.483 50 0 HIAAMO COc1ccc(C[NH+]2CCN(c3cc(Oc4ccccc4Cl)ncn3)CC2)cc1 ZINC000037357408 558804276 /nfs/dbraw/zinc/80/42/76/558804276.db2.gz PEQBKMZBIFDRCK-UHFFFAOYSA-N 1 1 410.905 4.253 50 0 HIAAMO Cc1cc(F)ccc1N1CCC([N@H+]2CCC[C@H](CCC(=O)N3CCCC3)C2)CC1 ZINC000039420532 558820996 /nfs/dbraw/zinc/82/09/96/558820996.db2.gz GLUFRVSYBQVYNN-HXUWFJFHSA-N 1 1 401.570 4.218 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(F)c(OC)c3)C2)cc1 ZINC000055100154 558872530 /nfs/dbraw/zinc/87/25/30/558872530.db2.gz WYBXFRSISJFJKN-NRFANRHFSA-N 1 1 400.538 4.229 50 0 HIAAMO O=C(COc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000057234788 558887697 /nfs/dbraw/zinc/88/76/97/558887697.db2.gz FFQKFNYRIPOSTJ-UHFFFAOYSA-N 1 1 419.500 4.165 50 0 HIAAMO Clc1ccccc1-c1nnc([C@@H](c2ccccc2)[NH+]2CCC3(CC2)OCCO3)o1 ZINC000057401935 558888463 /nfs/dbraw/zinc/88/84/63/558888463.db2.gz NZHWFIHVJPJKFD-LJQANCHMSA-N 1 1 411.889 4.318 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2ccc(Sc3ccc(Cl)cc3)c(NC(C)=O)c2)CC1 ZINC000004677068 558889352 /nfs/dbraw/zinc/88/93/52/558889352.db2.gz GYERBLDGLZDTIH-UHFFFAOYSA-N 1 1 417.962 4.227 50 0 HIAAMO COc1c[nH]c(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1=O ZINC000071661650 558906393 /nfs/dbraw/zinc/90/63/93/558906393.db2.gz JRYPUSAXMAOUDJ-OAQYLSRUSA-N 1 1 402.494 4.145 50 0 HIAAMO COc1c[nH]c(C[N@H+]2CCC[C@@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1=O ZINC000071661650 558906395 /nfs/dbraw/zinc/90/63/95/558906395.db2.gz JRYPUSAXMAOUDJ-OAQYLSRUSA-N 1 1 402.494 4.145 50 0 HIAAMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000058168258 558907620 /nfs/dbraw/zinc/90/76/20/558907620.db2.gz 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4.376 50 0 HIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@H](O)COCC ZINC000036308287 569130335 /nfs/dbraw/zinc/13/03/35/569130335.db2.gz TYFDUQLVGOJDIU-NRFANRHFSA-N 1 1 423.557 4.489 50 0 HIAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(C)cc4C)CC3)n2)cc1 ZINC000065184181 569191197 /nfs/dbraw/zinc/19/11/97/569191197.db2.gz JNLFTSFMPMULFB-UHFFFAOYSA-N 1 1 420.513 4.180 50 0 HIAAMO COc1cccc(C[N@@H+]2CCc3c(cc(C(=O)Nc4cccc(C)c4C)n3C)C2)c1 ZINC000065210983 569196334 /nfs/dbraw/zinc/19/63/34/569196334.db2.gz XKRPQLPJIAQCIO-UHFFFAOYSA-N 1 1 403.526 4.461 50 0 HIAAMO COc1cccc(C[N@H+]2CCc3c(cc(C(=O)Nc4cccc(C)c4C)n3C)C2)c1 ZINC000065210983 569196335 /nfs/dbraw/zinc/19/63/35/569196335.db2.gz XKRPQLPJIAQCIO-UHFFFAOYSA-N 1 1 403.526 4.461 50 0 HIAAMO CCOc1ccccc1NC(=O)[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000007377924 569234366 /nfs/dbraw/zinc/23/43/66/569234366.db2.gz VNAZXDUZUVMGBR-QHCPKHFHSA-N 1 1 404.466 4.284 50 0 HIAAMO Cc1ccc(C(=O)c2c3c(sc2NC(=O)C[NH2+]Cc2ccccn2)CCCC3)cc1 ZINC000089629707 569261317 /nfs/dbraw/zinc/26/13/17/569261317.db2.gz UMQJVOULKXVFHH-UHFFFAOYSA-N 1 1 419.550 4.290 50 0 HIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@H+](C)Cc3ccc(C)cc3)cc2)cc1 ZINC000007736588 569305018 /nfs/dbraw/zinc/30/50/18/569305018.db2.gz VVWKWPXVERMXBU-UHFFFAOYSA-N 1 1 417.509 4.326 50 0 HIAAMO COc1ccc(NC(=O)c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(C)cc3)cc2)cc1 ZINC000007736588 569305019 /nfs/dbraw/zinc/30/50/19/569305019.db2.gz VVWKWPXVERMXBU-UHFFFAOYSA-N 1 1 417.509 4.326 50 0 HIAAMO CC[N@H+](CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 ZINC000007789807 569310704 /nfs/dbraw/zinc/31/07/04/569310704.db2.gz IHYMETMRRVXAJH-UHFFFAOYSA-N 1 1 401.938 4.247 50 0 HIAAMO CC[N@@H+](CC(=O)NC(C)C)Cc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 ZINC000007789807 569310705 /nfs/dbraw/zinc/31/07/05/569310705.db2.gz IHYMETMRRVXAJH-UHFFFAOYSA-N 1 1 401.938 4.247 50 0 HIAAMO COc1ccc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)cc1OC ZINC000253398427 569365371 /nfs/dbraw/zinc/36/53/71/569365371.db2.gz CDPDJSWPHRTENH-IMIIHFCZSA-N 1 1 424.585 4.058 50 0 HIAAMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000253425875 569367994 /nfs/dbraw/zinc/36/79/94/569367994.db2.gz WEWUEQIUJSIBED-RGCFKVTRSA-N 1 1 409.368 4.039 50 0 HIAAMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccccc2Br)C1 ZINC000253425875 569367995 /nfs/dbraw/zinc/36/79/95/569367995.db2.gz WEWUEQIUJSIBED-RGCFKVTRSA-N 1 1 409.368 4.039 50 0 HIAAMO O=C(CSc1ccncc1)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000019227583 569414470 /nfs/dbraw/zinc/41/44/70/569414470.db2.gz XHSSTOJMHBPDBM-DEOSSOPVSA-N 1 1 409.599 4.121 50 0 HIAAMO CCOC(=O)Nc1ccc(C(=O)Nc2nc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000040034530 571141699 /nfs/dbraw/zinc/14/16/99/571141699.db2.gz YYRPCKIQVZZSGL-GASCZTMLSA-N 1 1 416.547 4.442 50 0 HIAAMO CCOC(=O)Nc1ccc(C(=O)Nc2nc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cs2)cc1 ZINC000040034530 571141701 /nfs/dbraw/zinc/14/17/01/571141701.db2.gz YYRPCKIQVZZSGL-GASCZTMLSA-N 1 1 416.547 4.442 50 0 HIAAMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040071662 571152281 /nfs/dbraw/zinc/15/22/81/571152281.db2.gz BXDQYPIPXHDBGE-INIZCTEOSA-N 1 1 421.463 4.055 50 0 HIAAMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000040071662 571152282 /nfs/dbraw/zinc/15/22/82/571152282.db2.gz BXDQYPIPXHDBGE-INIZCTEOSA-N 1 1 421.463 4.055 50 0 HIAAMO COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4nc(C)sc4c3)CC2)cc1 ZINC000040103260 571163726 /nfs/dbraw/zinc/16/37/26/571163726.db2.gz JROFJHLTAXVTFB-UHFFFAOYSA-N 1 1 410.543 4.353 50 0 HIAAMO CC[C@@](C)(CNC(=O)Nc1cccc(OCc2cccc(F)c2)c1)[NH+]1CCOCC1 ZINC000040152324 571199993 /nfs/dbraw/zinc/19/99/93/571199993.db2.gz ULHWAPNXVJLJKK-QHCPKHFHSA-N 1 1 415.509 4.027 50 0 HIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000245258122 571221474 /nfs/dbraw/zinc/22/14/74/571221474.db2.gz KDFAJTJSIKTAOD-ISKFKSNPSA-N 1 1 419.569 4.029 50 0 HIAAMO CCNC(=O)c1cccc(NC(=O)CNc2ccccc2C[N@@H+](C)C2CCCCC2)c1 ZINC000010170543 571295833 /nfs/dbraw/zinc/29/58/33/571295833.db2.gz KPYVCHOZNXLDCD-UHFFFAOYSA-N 1 1 422.573 4.251 50 0 HIAAMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2csc(-c3cnn(-c4ccccc4)c3)n2)C1 ZINC000071850961 571303524 /nfs/dbraw/zinc/30/35/24/571303524.db2.gz RUJVOXLFRYNZDX-SFHVURJKSA-N 1 1 423.586 4.238 50 0 HIAAMO Cc1nc(N2CCC[C@@H]([N@H+]3CCOc4ccccc4C3)CC2)nc2ccc(F)cc12 ZINC000012054195 845851002 /nfs/dbraw/zinc/85/10/02/845851002.db2.gz LIPAJVMBFIUJKO-HXUWFJFHSA-N 1 1 406.505 4.331 50 0 HIAAMO CN(Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000012298458 845865657 /nfs/dbraw/zinc/86/56/57/845865657.db2.gz IXDXDXQWJKJMMA-QFIPXVFZSA-N 1 1 416.993 4.098 50 0 HIAAMO CN(Cc1ccc(OCCO)cc1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012298458 845865664 /nfs/dbraw/zinc/86/56/64/845865664.db2.gz IXDXDXQWJKJMMA-QFIPXVFZSA-N 1 1 416.993 4.098 50 0 HIAAMO COC[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3C)nc2-c2ccc(OC)c(F)c2)C1 ZINC000014963506 845995516 /nfs/dbraw/zinc/99/55/16/845995516.db2.gz AIUYWDUJQOASGB-GOSISDBHSA-N 1 1 409.505 4.464 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3ccc(-n4cccn4)cc3)c(C)o2)cc1 ZINC000015064898 846005113 /nfs/dbraw/zinc/00/51/13/846005113.db2.gz HIQLQCWSOIFZIR-UHFFFAOYSA-N 1 1 416.481 4.254 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)c(C)o2)cc1 ZINC000015064898 846005128 /nfs/dbraw/zinc/00/51/28/846005128.db2.gz HIQLQCWSOIFZIR-UHFFFAOYSA-N 1 1 416.481 4.254 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc(OC)c1O ZINC000015075525 846006566 /nfs/dbraw/zinc/00/65/66/846006566.db2.gz CLUZLXSBARIAQW-INIZCTEOSA-N 1 1 403.906 4.466 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)cc(OC)c1O ZINC000015075525 846006571 /nfs/dbraw/zinc/00/65/71/846006571.db2.gz CLUZLXSBARIAQW-INIZCTEOSA-N 1 1 403.906 4.466 50 0 HIAAMO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc(OC)c1 ZINC000015073779 846006667 /nfs/dbraw/zinc/00/66/67/846006667.db2.gz 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CC1CCN(C(=O)c2ccccc2OC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000169765038 853658163 /nfs/dbraw/zinc/65/81/63/853658163.db2.gz UGHDSZJEWHCFCU-QFIPXVFZSA-N 1 1 407.558 4.245 50 0 HIAAMO O=C(c1ccccn1)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776714 853663414 /nfs/dbraw/zinc/66/34/14/853663414.db2.gz WQGNWPIRIQBZMQ-QFIPXVFZSA-N 1 1 423.532 4.039 50 0 HIAAMO O=C(c1ccco1)N1CCC2(CC1)C[C@@H]([N@@H+](Cc1ccc(F)cc1)C1CC1)CCO2 ZINC000169776710 853663439 /nfs/dbraw/zinc/66/34/39/853663439.db2.gz HJZSLCPKLQMJMI-NRFANRHFSA-N 1 1 412.505 4.237 50 0 HIAAMO CC(C)c1nnc([C@H]2C[N@@H+](C)CC23CCN(Cc2ccc(F)cc2Cl)CC3)o1 ZINC000257174447 854232789 /nfs/dbraw/zinc/23/27/89/854232789.db2.gz HBVAZQXZLVCJBJ-QGZVFWFLSA-N 1 1 406.933 4.297 50 0 HIAAMO COc1ccccc1-c1n[nH]cc1C[N@H+]1CCCCCNC(=O)C[C@H]1c1ccccc1 ZINC000257182137 854234034 /nfs/dbraw/zinc/23/40/34/854234034.db2.gz OROJLPCDEXAMQA-QFIPXVFZSA-N 1 1 418.541 4.319 50 0 HIAAMO CC[C@H]1C[N@@H+](CCC(=O)N2CCCC[C@H]2c2ccccn2)Cc2cc(OC)ccc2O1 ZINC000299761693 854280622 /nfs/dbraw/zinc/28/06/22/854280622.db2.gz MXWHHJVCLBFHQK-REWPJTCUSA-N 1 1 423.557 4.207 50 0 HIAAMO COc1ccccc1C[NH2+]Cc1cc2c(OC)ccc(OC)c2nc1N1CCCC1 ZINC000299781248 854281964 /nfs/dbraw/zinc/28/19/64/854281964.db2.gz STHHUMOPXONSCN-UHFFFAOYSA-N 1 1 407.514 4.151 50 0 HIAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)COc2ccc(Cl)cc2C)CC1 ZINC000005027975 132298668 /nfs/dbraw/zinc/29/86/68/132298668.db2.gz UGVMXDJJSLVNFR-UHFFFAOYSA-N 1 1 422.356 4.461 50 0 HIAAMO O=C(c1ccc2ccccc2n1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000008991738 132334521 /nfs/dbraw/zinc/33/45/21/132334521.db2.gz NZVYJWOGTHVWPO-UHFFFAOYSA-N 1 1 402.885 4.399 50 0 HIAAMO CCOc1ccc(C(C)=O)cc1C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032759864 520926392 /nfs/dbraw/zinc/92/63/92/520926392.db2.gz LLMCLVPQCZESAH-UHFFFAOYSA-N 1 1 421.463 4.414 50 0 HIAAMO CCOc1ccc(C(C)=O)cc1C[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032759864 520926405 /nfs/dbraw/zinc/92/64/05/520926405.db2.gz LLMCLVPQCZESAH-UHFFFAOYSA-N 1 1 421.463 4.414 50 0 HIAAMO COc1ccc(C2N([C@@H]3CCOC(C)(C)C3)CC[N@@H+]2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000032095326 523883514 /nfs/dbraw/zinc/88/35/14/523883514.db2.gz GBNXAEASSPMFBH-WOJBJXKFSA-N 1 1 402.579 4.227 50 0 HIAAMO COc1ccc(C2N([C@@H]3CCOC(C)(C)C3)CC[N@H+]2[C@@H]2CCOC(C)(C)C2)cc1 ZINC000032095326 523883520 /nfs/dbraw/zinc/88/35/20/523883520.db2.gz GBNXAEASSPMFBH-WOJBJXKFSA-N 1 1 402.579 4.227 50 0 HIAAMO COc1ccc(CCC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000032930083 523924040 /nfs/dbraw/zinc/92/40/40/523924040.db2.gz AUPQHWITNLTYRR-IBGZPJMESA-N 1 1 410.558 4.185 50 0 HIAAMO COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCC[C@H](COCc2ccccc2)C1 ZINC000056908437 524225534 /nfs/dbraw/zinc/22/55/34/524225534.db2.gz AFKOXPVMIXIOBR-SFHVURJKSA-N 1 1 402.922 4.216 50 0 HIAAMO COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](COCc2ccccc2)C1 ZINC000056908437 524225546 /nfs/dbraw/zinc/22/55/46/524225546.db2.gz AFKOXPVMIXIOBR-SFHVURJKSA-N 1 1 402.922 4.216 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000032811497 525248453 /nfs/dbraw/zinc/24/84/53/525248453.db2.gz NVVHZVQRRSRCAV-FQEVSTJZSA-N 1 1 404.457 4.092 50 0 HIAAMO Cc1[nH]nc(-c2ccc(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc2O)c1-c1ccccc1 ZINC000020589429 525463104 /nfs/dbraw/zinc/46/31/04/525463104.db2.gz WKGNEVKIGSGPKY-IAGOWNOFSA-N 1 1 407.514 4.246 50 0 HIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(SC(F)(F)F)cc1 ZINC000022880840 526657449 /nfs/dbraw/zinc/65/74/49/526657449.db2.gz LPGYDENAZDJLIZ-UHFFFAOYSA-N 1 1 410.461 4.061 50 0 HIAAMO Cc1nc(CSCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000032931233 526913100 /nfs/dbraw/zinc/91/31/00/526913100.db2.gz LQEVHGWLYXWWET-MRXNPFEDSA-N 1 1 403.617 4.233 50 0 HIAAMO CCOc1ccc2ncc(C(=O)c3ccc(OC)cc3)c(N3CC[NH+](CC)CC3)c2c1 ZINC000004313806 535445036 /nfs/dbraw/zinc/44/50/36/535445036.db2.gz VZXSAJUGGVLVHT-UHFFFAOYSA-N 1 1 419.525 4.015 50 0 HIAAMO O=C(NCc1ccc(F)cc1)c1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000034668780 557362277 /nfs/dbraw/zinc/36/22/77/557362277.db2.gz PHHAEKOJLBIORA-UHFFFAOYSA-N 1 1 421.491 4.217 50 0 HIAAMO Cc1ccccc1C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(F)c3)CC2)nc1 ZINC000034681785 557383643 /nfs/dbraw/zinc/38/36/43/557383643.db2.gz QHZPHLXMGPNPOQ-UHFFFAOYSA-N 1 1 418.516 4.494 50 0 HIAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000034740280 557443882 /nfs/dbraw/zinc/44/38/82/557443882.db2.gz WPIGZZKBOSUYGD-NZQKXSOJSA-N 1 1 400.588 4.477 50 0 HIAAMO CC(C)Cn1c2ccccc2[nH+]c1NCCCNC(=O)COc1ccc(Cl)cc1 ZINC000034906836 557474273 /nfs/dbraw/zinc/47/42/73/557474273.db2.gz PXXVWRORBWTYNS-UHFFFAOYSA-N 1 1 414.937 4.343 50 0 HIAAMO COc1ccc(CCC(=O)NC[C@@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907091 557852388 /nfs/dbraw/zinc/85/23/88/557852388.db2.gz QWGMWOBJKUOECG-QHCPKHFHSA-N 1 1 404.510 4.137 50 0 HIAAMO COc1ccc(CCC(=O)NC[C@@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907091 557852391 /nfs/dbraw/zinc/85/23/91/557852391.db2.gz QWGMWOBJKUOECG-QHCPKHFHSA-N 1 1 404.510 4.137 50 0 HIAAMO COc1ccc(CCC(=O)NC[C@H](c2ccco2)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000022907087 557852570 /nfs/dbraw/zinc/85/25/70/557852570.db2.gz QWGMWOBJKUOECG-HSZRJFAPSA-N 1 1 404.510 4.137 50 0 HIAAMO COc1ccc(CCC(=O)NC[C@H](c2ccco2)[N@H+]2CCc3ccccc3C2)cc1 ZINC000022907087 557852574 /nfs/dbraw/zinc/85/25/74/557852574.db2.gz QWGMWOBJKUOECG-HSZRJFAPSA-N 1 1 404.510 4.137 50 0 HIAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)o1 ZINC000019742117 558262507 /nfs/dbraw/zinc/26/25/07/558262507.db2.gz MYGMLJKBKSJWKW-IBGZPJMESA-N 1 1 406.530 4.148 50 0 HIAAMO CCOC(=O)C1(CCOc2ccccc2)CC[NH+](Cc2cc(CC(C)C)n[nH]2)CC1 ZINC000011663627 558267316 /nfs/dbraw/zinc/26/73/16/558267316.db2.gz GUUCFEBDGSSNEB-UHFFFAOYSA-N 1 1 413.562 4.223 50 0 HIAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000011753483 558272261 /nfs/dbraw/zinc/27/22/61/558272261.db2.gz QJVDEYDRUXNNGO-KRWDZBQOSA-N 1 1 424.570 4.009 50 0 HIAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000011814888 558279030 /nfs/dbraw/zinc/27/90/30/558279030.db2.gz ADOYYZOPNUELDX-HNNXBMFYSA-N 1 1 401.557 4.415 50 0 HIAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000011814888 558279033 /nfs/dbraw/zinc/27/90/33/558279033.db2.gz ADOYYZOPNUELDX-HNNXBMFYSA-N 1 1 401.557 4.415 50 0 HIAAMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)CC1 ZINC000011819336 558282510 /nfs/dbraw/zinc/28/25/10/558282510.db2.gz PSRUNZCDTHTYKY-UHFFFAOYSA-N 1 1 413.525 4.419 50 0 HIAAMO CC(C)Cc1cc(CN(C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)[nH]n1 ZINC000011819472 558282686 /nfs/dbraw/zinc/28/26/86/558282686.db2.gz FTMNZZCUTNAZFC-DEOSSOPVSA-N 1 1 402.627 4.244 50 0 HIAAMO CN(C)c1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)c1 ZINC000011820601 558283950 /nfs/dbraw/zinc/28/39/50/558283950.db2.gz AGTMDVRMBVEJTR-XMMPIXPASA-N 1 1 413.512 4.159 50 0 HIAAMO COc1ccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCC[N@H+](C3CCCCC3)C2)o1 ZINC000011821932 558285137 /nfs/dbraw/zinc/28/51/37/558285137.db2.gz KGJSWGIDPUVIMY-HXUWFJFHSA-N 1 1 411.546 4.370 50 0 HIAAMO C[N@@H+](C1CCN(Cc2cccnc2)CC1)[C@H]1CCCN(CCCc2ccccc2)C1 ZINC000019837739 558293183 /nfs/dbraw/zinc/29/31/83/558293183.db2.gz ZLVLLOCBZQHYAD-SANMLTNESA-N 1 1 406.618 4.075 50 0 HIAAMO C[N@@H+](Cc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[nH]1)C1CCCCC1 ZINC000011909674 558296402 /nfs/dbraw/zinc/29/64/02/558296402.db2.gz SVDHOVGSRRGDSY-UHFFFAOYSA-N 1 1 421.463 4.088 50 0 HIAAMO CCN(Cc1cnc(N(C)C)s1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000011932903 558297662 /nfs/dbraw/zinc/29/76/62/558297662.db2.gz DJHBVIPASKYIJR-LJQANCHMSA-N 1 1 404.599 4.125 50 0 HIAAMO CC[N@@H+](Cc1cnc(N(C)C)s1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011932903 558297664 /nfs/dbraw/zinc/29/76/64/558297664.db2.gz DJHBVIPASKYIJR-LJQANCHMSA-N 1 1 404.599 4.125 50 0 HIAAMO CC[N@H+](Cc1cnc(N(C)C)s1)C[C@H]1CCCN(CCc2cccc(F)c2)C1 ZINC000011932903 558297669 /nfs/dbraw/zinc/29/76/69/558297669.db2.gz DJHBVIPASKYIJR-LJQANCHMSA-N 1 1 404.599 4.125 50 0 HIAAMO C[C@H]1CCC[N@H+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000011935936 558300002 /nfs/dbraw/zinc/30/00/02/558300002.db2.gz BEBSKVSCBZAXND-KRWDZBQOSA-N 1 1 422.960 4.418 50 0 HIAAMO C[C@H]1CCC[N@@H+](Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn32)C1 ZINC000011935936 558300004 /nfs/dbraw/zinc/30/00/04/558300004.db2.gz BEBSKVSCBZAXND-KRWDZBQOSA-N 1 1 422.960 4.418 50 0 HIAAMO C[C@H]1C[N@@H+](CCC(=O)NCc2nc(-c3ccccc3)cs2)Cc2ccccc2O1 ZINC000011995624 558306603 /nfs/dbraw/zinc/30/66/03/558306603.db2.gz JBZDAJNVXWCFEY-KRWDZBQOSA-N 1 1 407.539 4.100 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@H+](C)Cc3cccc(-n4cccn4)c3)c(C)o2)cc1 ZINC000012030758 558311117 /nfs/dbraw/zinc/31/11/17/558311117.db2.gz HBJGJMXDNDZDIC-UHFFFAOYSA-N 1 1 416.481 4.254 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)Cc3cccc(-n4cccn4)c3)c(C)o2)cc1 ZINC000012030758 558311121 /nfs/dbraw/zinc/31/11/21/558311121.db2.gz HBJGJMXDNDZDIC-UHFFFAOYSA-N 1 1 416.481 4.254 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000012072516 558317790 /nfs/dbraw/zinc/31/77/90/558317790.db2.gz WISXFNKAVJJSIP-GOSISDBHSA-N 1 1 423.532 4.342 50 0 HIAAMO COc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)c1 ZINC000012112054 558326360 /nfs/dbraw/zinc/32/63/60/558326360.db2.gz ABJSREYYGHZJPU-IBGZPJMESA-N 1 1 411.546 4.122 50 0 HIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C1)N1CCOCC1 ZINC000012112217 558326619 /nfs/dbraw/zinc/32/66/19/558326619.db2.gz ZYDMYQAFPVQPPO-GOSISDBHSA-N 1 1 416.949 4.451 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3c[nH]nc3-c3ccccc3)C2)cc1 ZINC000020209578 558347099 /nfs/dbraw/zinc/34/70/99/558347099.db2.gz OWJHANGNMOJGFX-JOCHJYFZSA-N 1 1 418.585 4.472 50 0 HIAAMO O=C(c1cc2ccccc2oc1=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1F)C2 ZINC000012201919 558351683 /nfs/dbraw/zinc/35/16/83/558351683.db2.gz YUUDKYJNOCABQY-RUZDIDTESA-N 1 1 420.484 4.060 50 0 HIAAMO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012204210 558352238 /nfs/dbraw/zinc/35/22/38/558352238.db2.gz BXTCSQSQVXODHA-NRFANRHFSA-N 1 1 401.510 4.012 50 0 HIAAMO O=C(Nc1ccc(Cl)c(Cl)c1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000020436184 558362944 /nfs/dbraw/zinc/36/29/44/558362944.db2.gz DPZLVNDQZUJUCG-UHFFFAOYSA-N 1 1 423.344 4.145 50 0 HIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@H+](C3CSCCSC3)C2)c(C)c1 ZINC000012302664 558372365 /nfs/dbraw/zinc/37/23/65/558372365.db2.gz WNMNHRFLMSWUBB-KRWDZBQOSA-N 1 1 408.633 4.283 50 0 HIAAMO Cc1ccc2[nH]nc(C(=O)N(C)C[C@H]3CCC[N@@H+](CCc4ccccc4F)C3)c2c1 ZINC000012302986 558372603 /nfs/dbraw/zinc/37/26/03/558372603.db2.gz IMNQLHGYYNPMKO-GOSISDBHSA-N 1 1 408.521 4.037 50 0 HIAAMO Cc1ccc2n[nH]c(C(=O)N(C)C[C@H]3CCC[N@H+](CCc4ccccc4F)C3)c2c1 ZINC000012302986 558372606 /nfs/dbraw/zinc/37/26/06/558372606.db2.gz IMNQLHGYYNPMKO-GOSISDBHSA-N 1 1 408.521 4.037 50 0 HIAAMO Cc1ccc2n[nH]c(C(=O)N(C)C[C@H]3CCC[N@@H+](CCc4ccccc4F)C3)c2c1 ZINC000012302986 558372608 /nfs/dbraw/zinc/37/26/08/558372608.db2.gz IMNQLHGYYNPMKO-GOSISDBHSA-N 1 1 408.521 4.037 50 0 HIAAMO Brc1cccc(OCCCCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020482344 558375476 /nfs/dbraw/zinc/37/54/76/558375476.db2.gz LAANLAXVBBPWHO-UHFFFAOYSA-N 1 1 403.364 4.426 50 0 HIAAMO Cc1ccc(CN(C)Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)o1 ZINC000012313804 558377290 /nfs/dbraw/zinc/37/72/90/558377290.db2.gz WDLUYEZDSBROSU-QFIPXVFZSA-N 1 1 400.563 4.224 50 0 HIAAMO Cc1ccc(CN(C)Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)o1 ZINC000012313804 558377291 /nfs/dbraw/zinc/37/72/91/558377291.db2.gz WDLUYEZDSBROSU-QFIPXVFZSA-N 1 1 400.563 4.224 50 0 HIAAMO O=CN1CCC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cc3ccccc3o2)CC1 ZINC000012373019 558390592 /nfs/dbraw/zinc/39/05/92/558390592.db2.gz RNZAIKJGPVWEEG-UHFFFAOYSA-N 1 1 414.509 4.009 50 0 HIAAMO COc1cccc(C(=O)[C@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000012431633 558406258 /nfs/dbraw/zinc/40/62/58/558406258.db2.gz XADLRCJPKYMMSH-QHCPKHFHSA-N 1 1 406.570 4.297 50 0 HIAAMO COc1cccc(C(=O)[C@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000012431633 558406260 /nfs/dbraw/zinc/40/62/60/558406260.db2.gz XADLRCJPKYMMSH-QHCPKHFHSA-N 1 1 406.570 4.297 50 0 HIAAMO Cc1cccc(-c2ncc(C[N@H+]3CCC[C@](CO)(Cc4ccc(F)cc4)C3)cn2)c1 ZINC000012438732 558410062 /nfs/dbraw/zinc/41/00/62/558410062.db2.gz JTBJYRAIHZBAAS-VWLOTQADSA-N 1 1 405.517 4.408 50 0 HIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC(C)C)c3)C2)cc1CO ZINC000012465008 558420130 /nfs/dbraw/zinc/42/01/30/558420130.db2.gz KWHKUJDDKIUUDJ-OAQYLSRUSA-N 1 1 411.542 4.460 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)cc2c1OCO2 ZINC000012465723 558420396 /nfs/dbraw/zinc/42/03/96/558420396.db2.gz MSCVXEWMMPFVSN-INIZCTEOSA-N 1 1 414.477 4.194 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)c1cccc(C(F)(F)F)c1 ZINC000012475274 558422539 /nfs/dbraw/zinc/42/25/39/558422539.db2.gz KENNJYJLVFGBOM-INIZCTEOSA-N 1 1 402.460 4.315 50 0 HIAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@H+](Cc2ccc(OCCO)cc2)C1 ZINC000012571100 558429026 /nfs/dbraw/zinc/42/90/26/558429026.db2.gz OIYLVXBOQNCOED-QFIPXVFZSA-N 1 1 415.533 4.404 50 0 HIAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)cc1OC ZINC000012579456 558432147 /nfs/dbraw/zinc/43/21/47/558432147.db2.gz ZMMABDRZOHLBGB-FQEVSTJZSA-N 1 1 422.525 4.229 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3sccc3C)C2)c(OC)c1 ZINC000012585484 558433874 /nfs/dbraw/zinc/43/38/74/558433874.db2.gz YJMKHWZIMREROX-SFHVURJKSA-N 1 1 416.587 4.382 50 0 HIAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](CCC(C)C)Cc1cccn1Cc1ccccc1 ZINC000004354259 558439777 /nfs/dbraw/zinc/43/97/77/558439777.db2.gz VXRZYVOKODTIHC-QHCPKHFHSA-N 1 1 400.563 4.089 50 0 HIAAMO O=S(=O)(Cc1ccccc1)NC[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccco2)C1 ZINC000012748801 558458873 /nfs/dbraw/zinc/45/88/73/558458873.db2.gz VLXFPBKFDJXSQX-OAQYLSRUSA-N 1 1 424.566 4.278 50 0 HIAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(C2SCCCS2)cc1 ZINC000022462440 558490922 /nfs/dbraw/zinc/49/09/22/558490922.db2.gz YEUZYFBYHYLNNJ-UHFFFAOYSA-N 1 1 420.644 4.320 50 0 HIAAMO O=C(CC[NH+]1CCN(CCc2ccccc2)CC1)Nc1c(Cl)cccc1Cl ZINC000022930950 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HVICNLVSWQTVTE-FGZHOGPDSA-N 1 1 410.558 4.166 50 0 HIAAMO O[C@H](Cc1ccccc1)C[N@H+](Cc1ccccc1)C[C@H]1CC(c2ccccc2F)=NO1 ZINC000104984408 560859049 /nfs/dbraw/zinc/85/90/49/560859049.db2.gz HJZYRRJFNFLEPM-DHIUTWEWSA-N 1 1 418.512 4.425 50 0 HIAAMO CCOc1ccc(C[N@@H+](CC)Cc2cc(=O)n3nc(-c4ccccc4)sc3n2)cc1 ZINC000046032468 568424782 /nfs/dbraw/zinc/42/47/82/568424782.db2.gz SWBAAXHXCOPQOI-UHFFFAOYSA-N 1 1 420.538 4.239 50 0 HIAAMO COc1ccc(Br)cc1CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000048313565 568439197 /nfs/dbraw/zinc/43/91/97/568439197.db2.gz BHZYJPSNCTUBRJ-IBGZPJMESA-N 1 1 417.347 4.081 50 0 HIAAMO Cc1nc(CSCC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)cs1 ZINC000048354664 568441183 /nfs/dbraw/zinc/44/11/83/568441183.db2.gz WTOQISDEDMRGGC-CALCHBBNSA-N 1 1 417.644 4.479 50 0 HIAAMO Cc1cccc(-c2noc(C3CC[NH+](CC(=O)Nc4cc(C)ccc4C)CC3)n2)c1 ZINC000049403200 568448232 /nfs/dbraw/zinc/44/82/32/568448232.db2.gz FBOCWUUHDCWDTA-UHFFFAOYSA-N 1 1 404.514 4.480 50 0 HIAAMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000023958392 568510170 /nfs/dbraw/zinc/51/01/70/568510170.db2.gz CPQQNNDXSZCIPC-UHFFFAOYSA-N 1 1 410.901 4.362 50 0 HIAAMO CC(C)CCNC(=O)CCc1nc(C2=CC[N@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069223 568510967 /nfs/dbraw/zinc/51/09/67/568510967.db2.gz WZURWPDDJMGBIJ-UHFFFAOYSA-N 1 1 416.953 4.107 50 0 HIAAMO CC(C)CCNC(=O)CCc1nc(C2=CC[N@@H+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000033069223 568510969 /nfs/dbraw/zinc/51/09/69/568510969.db2.gz WZURWPDDJMGBIJ-UHFFFAOYSA-N 1 1 416.953 4.107 50 0 HIAAMO CCOC(=O)c1ccc(NC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)cc1 ZINC000390829560 568591912 /nfs/dbraw/zinc/59/19/12/568591912.db2.gz ZTCUOFRRIABOEV-MQFRRQCYSA-N 1 1 423.557 4.290 50 0 HIAAMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc4c(c3)N(CC)CCS4)cc2)CC1 ZINC000020355120 568599738 /nfs/dbraw/zinc/59/97/38/568599738.db2.gz QGRYMGVSYUALFO-UHFFFAOYSA-N 1 1 424.614 4.008 50 0 HIAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCC[N@@H+]4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000020383885 568602782 /nfs/dbraw/zinc/60/27/82/568602782.db2.gz WSCQJELSEOAECD-RTBURBONSA-N 1 1 414.619 4.120 50 0 HIAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000095408034 568606317 /nfs/dbraw/zinc/60/63/17/568606317.db2.gz XVCGPRDEXSZEKB-UZLBHIALSA-N 1 1 406.448 4.111 50 0 HIAAMO CC[N@@H+](CCC1CCN(c2ccc(C(=O)N3CCC(C)CC3)cn2)CC1)CC1CC1 ZINC000095458055 568618678 /nfs/dbraw/zinc/61/86/78/568618678.db2.gz XACSPFVRZSREKI-UHFFFAOYSA-N 1 1 412.622 4.292 50 0 HIAAMO CCOc1cc(/C=C/C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)cc(Cl)c1OC ZINC000040118525 568620342 /nfs/dbraw/zinc/62/03/42/568620342.db2.gz YDAIRWDFLUODJV-VMPITWQZSA-N 1 1 412.877 4.288 50 0 HIAAMO COC(=O)c1c(-c2ccc(Cl)cc2)noc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000021103700 568666807 /nfs/dbraw/zinc/66/68/07/568666807.db2.gz VOQMZOQCVVOCAQ-UHFFFAOYSA-N 1 1 411.889 4.104 50 0 HIAAMO COC[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000225770721 568672997 /nfs/dbraw/zinc/67/29/97/568672997.db2.gz IHRBAUWKEGMRHW-UWJYYQICSA-N 1 1 420.475 4.487 50 0 HIAAMO C[N@@H+](Cc1nc(-c2c(F)cccc2F)cs1)C[C@H](O)COCc1ccccc1 ZINC000096012950 568685062 /nfs/dbraw/zinc/68/50/62/568685062.db2.gz SRCTZCFEAXAQCY-INIZCTEOSA-N 1 1 404.482 4.098 50 0 HIAAMO C[N@H+](Cc1nc(-c2c(F)cccc2F)cs1)C[C@H](O)COCc1ccccc1 ZINC000096012950 568685064 /nfs/dbraw/zinc/68/50/64/568685064.db2.gz SRCTZCFEAXAQCY-INIZCTEOSA-N 1 1 404.482 4.098 50 0 HIAAMO CCOc1ccc([C@@H](CC(=O)N2CC[NH+](CC)CC2)c2c[nH]c3ccccc32)cc1 ZINC000096278218 568716566 /nfs/dbraw/zinc/71/65/66/568716566.db2.gz XFDRAKYBQMDDDH-JOCHJYFZSA-N 1 1 405.542 4.253 50 0 HIAAMO CCOc1ccc([C@H](CC(=O)N2CC[NH+](CC)CC2)c2c[nH]c3ccccc32)cc1 ZINC000096278217 568716678 /nfs/dbraw/zinc/71/66/78/568716678.db2.gz XFDRAKYBQMDDDH-QFIPXVFZSA-N 1 1 405.542 4.253 50 0 HIAAMO O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000014245660 568721984 /nfs/dbraw/zinc/72/19/84/568721984.db2.gz XZXUWSJDBXYPAI-RZPFDVGOSA-N 1 1 417.553 4.289 50 0 HIAAMO CCc1nn(-c2ccc(Cl)c(Cl)c2)c(CC)c1C(=O)N1CC[NH+](CC)CC1 ZINC000096299842 568723122 /nfs/dbraw/zinc/72/31/22/568723122.db2.gz PSIPCVHOWIFHOJ-UHFFFAOYSA-N 1 1 409.361 4.082 50 0 HIAAMO Cc1ccc(Cn2nc(C[NH2+]Cc3ccc4c(c3)OCO4)c(-c3ccccc3)n2)cc1 ZINC000248109556 568747377 /nfs/dbraw/zinc/74/73/77/568747377.db2.gz QEAJTFSNRPZJHH-UHFFFAOYSA-N 1 1 412.493 4.320 50 0 HIAAMO COc1ccc2cc([C@H](C)C(=O)NCC3([NH+]4CCOCC4)CCCCC3)ccc2c1 ZINC000022462393 568768345 /nfs/dbraw/zinc/76/83/45/568768345.db2.gz XULKTZKMCYBRGE-IBGZPJMESA-N 1 1 410.558 4.103 50 0 HIAAMO COc1ccc(C)cc1[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453748 568806984 /nfs/dbraw/zinc/80/69/84/568806984.db2.gz JASOLLNUEKDANS-INIZCTEOSA-N 1 1 417.500 4.307 50 0 HIAAMO COC(=O)c1ccc(C)c(NC(=O)C[NH2+][C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000057318532 568826893 /nfs/dbraw/zinc/82/68/93/568826893.db2.gz LZEWJMNYNGWCOE-NRFANRHFSA-N 1 1 412.486 4.300 50 0 HIAAMO O=C(CC[NH2+][C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)N1CCCC1 ZINC000057362771 568829119 /nfs/dbraw/zinc/82/91/19/568829119.db2.gz YKKDMMJMCDMJSQ-HXUWFJFHSA-N 1 1 420.340 4.275 50 0 HIAAMO O=C(/C=C/c1ccc(-c2ccccc2F)o1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882000 568844223 /nfs/dbraw/zinc/84/42/23/568844223.db2.gz ALDMDUNYZUIPDC-ZRDIBKRKSA-N 1 1 420.484 4.248 50 0 HIAAMO CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1C[NH2+][C@@H](CC)c1cccs1 ZINC000299782051 568875267 /nfs/dbraw/zinc/87/52/67/568875267.db2.gz MPKXWSUYDQVBCT-HNNXBMFYSA-N 1 1 409.515 4.228 50 0 HIAAMO Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000012747787 568933773 /nfs/dbraw/zinc/93/37/73/568933773.db2.gz WOSQZGRRJXFKOG-HNNXBMFYSA-N 1 1 415.921 4.032 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000004064636 568937615 /nfs/dbraw/zinc/93/76/15/568937615.db2.gz MYLQMGNWRSZRBE-HVCNVCAESA-N 1 1 424.541 4.011 50 0 biogenic HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000004064636 568937617 /nfs/dbraw/zinc/93/76/17/568937617.db2.gz MYLQMGNWRSZRBE-HVCNVCAESA-N 1 1 424.541 4.011 50 0 biogenic HIAAMO C[C@H]([NH2+]CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1Cl ZINC000012763336 568946880 /nfs/dbraw/zinc/94/68/80/568946880.db2.gz GVHOCMFBZHMXKG-LBPRGKRZSA-N 1 1 423.826 4.229 50 0 HIAAMO C[NH+](C)[C@@H](CNC(=O)Cc1csc(-c2cccs2)n1)c1ccccc1Cl ZINC000012767634 568949369 /nfs/dbraw/zinc/94/93/69/568949369.db2.gz YRNGKPBXHDQKID-INIZCTEOSA-N 1 1 405.976 4.487 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N[C@@H](C)c2ccccc2Cl)c(OC)c1 ZINC000012771924 568952283 /nfs/dbraw/zinc/95/22/83/568952283.db2.gz UOIGGMDVUAARNZ-YWZLYKJASA-N 1 1 402.922 4.372 50 0 HIAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N[C@@H](C)c2ccccc2Cl)c(OC)c1 ZINC000012771924 568952286 /nfs/dbraw/zinc/95/22/86/568952286.db2.gz UOIGGMDVUAARNZ-YWZLYKJASA-N 1 1 402.922 4.372 50 0 HIAAMO C[C@H](NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1)c1ccc2c(c1)OCO2 ZINC000008201894 568982544 /nfs/dbraw/zinc/98/25/44/568982544.db2.gz DNQFOPPJXUZVHA-HNNXBMFYSA-N 1 1 423.538 4.082 50 0 HIAAMO C[C@H]1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c2ccccc2S1 ZINC000008230665 568983850 /nfs/dbraw/zinc/98/38/50/568983850.db2.gz KDKFYXQYQSOJAO-SFHVURJKSA-N 1 1 423.582 4.255 50 0 HIAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261297 568985522 /nfs/dbraw/zinc/98/55/22/568985522.db2.gz SIFJAPXCNZXBPK-CABCVRRESA-N 1 1 409.511 4.232 50 0 HIAAMO C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008261297 568985524 /nfs/dbraw/zinc/98/55/24/568985524.db2.gz SIFJAPXCNZXBPK-CABCVRRESA-N 1 1 409.511 4.232 50 0 HIAAMO COc1cccc([C@@H](c2nnnn2C(C)(C)C)[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000085427913 568987784 /nfs/dbraw/zinc/98/77/84/568987784.db2.gz UDCAGZWSDOWMAH-QFIPXVFZSA-N 1 1 405.546 4.406 50 0 HIAAMO OCC[C@H]1CN(Cc2cccc(OC3CCCC3)c2)CC[N@H+]1Cc1cccs1 ZINC000020877763 569008118 /nfs/dbraw/zinc/00/81/18/569008118.db2.gz XDUWKTSBZXLRDI-FQEVSTJZSA-N 1 1 400.588 4.138 50 0 HIAAMO Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)c(C)c1 ZINC000012853111 569010607 /nfs/dbraw/zinc/01/06/07/569010607.db2.gz CMCCAPFXHIMCAZ-OAHLLOKOSA-N 1 1 422.356 4.324 50 0 HIAAMO Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012862669 569011852 /nfs/dbraw/zinc/01/18/52/569011852.db2.gz VXWXFIASVSLZNO-XLIONFOSSA-N 1 1 408.571 4.178 50 0 HIAAMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000012862669 569011853 /nfs/dbraw/zinc/01/18/53/569011853.db2.gz VXWXFIASVSLZNO-XLIONFOSSA-N 1 1 408.571 4.178 50 0 HIAAMO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012865574 569012127 /nfs/dbraw/zinc/01/21/27/569012127.db2.gz SEHGNHPXIGVLLE-JOCHJYFZSA-N 1 1 408.542 4.206 50 0 HIAAMO CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012865574 569012128 /nfs/dbraw/zinc/01/21/28/569012128.db2.gz SEHGNHPXIGVLLE-JOCHJYFZSA-N 1 1 408.542 4.206 50 0 HIAAMO C[N@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(C(F)(F)F)cc1 ZINC000012940112 569028226 /nfs/dbraw/zinc/02/82/26/569028226.db2.gz OHAONMDKHXZCLA-UHFFFAOYSA-N 1 1 423.826 4.010 50 0 HIAAMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)Cc1ccc(C(F)(F)F)cc1 ZINC000012940112 569028227 /nfs/dbraw/zinc/02/82/27/569028227.db2.gz OHAONMDKHXZCLA-UHFFFAOYSA-N 1 1 423.826 4.010 50 0 HIAAMO COc1ccc(CCn2c(C)cc(-c3csc(N4CC[NH+](C)CC4)n3)c2C)cc1 ZINC000007845172 569031749 /nfs/dbraw/zinc/03/17/49/569031749.db2.gz JEBOKHHKMYTSJU-UHFFFAOYSA-N 1 1 410.587 4.232 50 0 HIAAMO O=c1cc(C[NH+](Cc2ccccc2)Cc2ccccc2)nc2sc(C3CC3)nn21 ZINC000035509764 569041732 /nfs/dbraw/zinc/04/17/32/569041732.db2.gz KKBJZPWPDNFEMF-UHFFFAOYSA-N 1 1 402.523 4.231 50 0 HIAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@@H](C(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]21 ZINC000245256835 569055491 /nfs/dbraw/zinc/05/54/91/569055491.db2.gz UATZSLNVTLOJRD-ZCLKUGBOSA-N 1 1 422.528 4.471 50 0 HIAAMO Cc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000054219909 569061245 /nfs/dbraw/zinc/06/12/45/569061245.db2.gz UFIFLGMJUYXHHR-UHFFFAOYSA-N 1 1 419.550 4.363 50 0 HIAAMO Cc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3cccnc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065605 569085927 /nfs/dbraw/zinc/08/59/27/569085927.db2.gz XWWHPVMOGRFXBP-IBGZPJMESA-N 1 1 406.530 4.355 50 0 HIAAMO Cc1cccc(C[N@H+](Cc2nc(C(=O)NCc3cccnc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065605 569085929 /nfs/dbraw/zinc/08/59/29/569085929.db2.gz XWWHPVMOGRFXBP-IBGZPJMESA-N 1 1 406.530 4.355 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)COc2ccccc2)cc1OC ZINC000036095755 569090066 /nfs/dbraw/zinc/09/00/66/569090066.db2.gz QSMPTBAAZGPIAG-QFIPXVFZSA-N 1 1 407.510 4.146 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)Cc2ccccc2)cc1 ZINC000036102318 569091850 /nfs/dbraw/zinc/09/18/50/569091850.db2.gz AJNQQLVTZUUXQR-JOCHJYFZSA-N 1 1 405.494 4.030 50 0 HIAAMO COc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(F)cc2)Cc2ccccc2F)cc1 ZINC000036102652 569092211 /nfs/dbraw/zinc/09/22/11/569092211.db2.gz KJSSTIZPDBYEEN-OAQYLSRUSA-N 1 1 413.464 4.416 50 0 HIAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2ccc(F)cc2)Cc2ccccc2F)cc1 ZINC000036102652 569092212 /nfs/dbraw/zinc/09/22/12/569092212.db2.gz KJSSTIZPDBYEEN-OAQYLSRUSA-N 1 1 413.464 4.416 50 0 HIAAMO CCNc1nc(Nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc(C)[nH+]1 ZINC000064801720 569097871 /nfs/dbraw/zinc/09/78/71/569097871.db2.gz MZNURFZWDLEDKA-UHFFFAOYSA-N 1 1 417.922 4.415 50 0 HIAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](C)O)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036305648 569129515 /nfs/dbraw/zinc/12/95/15/569129515.db2.gz QLRHOYXNQGYHRS-SFHVURJKSA-N 1 1 421.541 4.481 50 0 HIAAMO CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1 ZINC000065116772 569179991 /nfs/dbraw/zinc/17/99/91/569179991.db2.gz XWRFYJBLSJPSLG-INIZCTEOSA-N 1 1 413.634 4.031 50 0 HIAAMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(-c2nc(C)c(C)s2)cs1 ZINC000065116772 569179992 /nfs/dbraw/zinc/17/99/92/569179992.db2.gz XWRFYJBLSJPSLG-INIZCTEOSA-N 1 1 413.634 4.031 50 0 HIAAMO Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000065136596 569183374 /nfs/dbraw/zinc/18/33/74/569183374.db2.gz XQZVPFJRKSLDTP-LEWJYISDSA-N 1 1 414.594 4.010 50 0 HIAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccccc3F)nc3onc(-c4ccccc4)c32)CC1 ZINC000036618412 569209980 /nfs/dbraw/zinc/20/99/80/569209980.db2.gz CVVDPAYPUHJXPJ-UHFFFAOYSA-N 1 1 416.456 4.084 50 0 HIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000007374090 569234228 /nfs/dbraw/zinc/23/42/28/569234228.db2.gz VUYGIQSPVVCKRS-MJGOQNOKSA-N 1 1 410.461 4.010 50 0 HIAAMO CC1=NN(c2ccc(C(=O)NC[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000328593998 569415582 /nfs/dbraw/zinc/41/55/82/569415582.db2.gz HLEKFRJSSWSLRE-QFIPXVFZSA-N 1 1 404.558 4.305 50 0 HIAAMO O=C(CCn1ccc2c1cccc2Br)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079190936 569429290 /nfs/dbraw/zinc/42/92/90/569429290.db2.gz QJGOMUCKPVYVJG-QFBILLFUSA-N 1 1 418.379 4.175 50 0 HIAAMO CC(C)n1cc(CCCC(=O)N2CC[NH+](CCc3ccncc3)CC2)c2ccccc21 ZINC000079492950 569432558 /nfs/dbraw/zinc/43/25/58/569432558.db2.gz 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1 418.541 4.098 50 0 HIAAMO COc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000004177078 557525197 /nfs/dbraw/zinc/52/51/97/557525197.db2.gz IXIFGHGIRITVND-INIZCTEOSA-N 1 1 409.368 4.072 50 0 HIAAMO O=C([C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1)N1CCc2ccccc2C1 ZINC000004744890 557591627 /nfs/dbraw/zinc/59/16/27/557591627.db2.gz QCHCENGYNVKSHO-FQEVSTJZSA-N 1 1 413.359 4.246 50 0 HIAAMO Cc1cccc(C[N@H+]2CCC[C@]3(CCN(C(=O)c4cnn(-c5ccccc5)c4)C3)C2)c1 ZINC000011662263 558266126 /nfs/dbraw/zinc/26/61/26/558266126.db2.gz POEPXDKSEOLXQI-SANMLTNESA-N 1 1 414.553 4.309 50 0 HIAAMO CCCCc1nc(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)c[nH]1 ZINC000011664744 558268113 /nfs/dbraw/zinc/26/81/13/558268113.db2.gz DYMCDHUEPWYHCO-NRFANRHFSA-N 1 1 424.633 4.080 50 0 HIAAMO CCCCc1ncc(CN(CCOC)C[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[nH]1 ZINC000011664744 558268116 /nfs/dbraw/zinc/26/81/16/558268116.db2.gz DYMCDHUEPWYHCO-NRFANRHFSA-N 1 1 424.633 4.080 50 0 HIAAMO CCCCc1ncc(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH]1 ZINC000011664744 558268118 /nfs/dbraw/zinc/26/81/18/558268118.db2.gz DYMCDHUEPWYHCO-NRFANRHFSA-N 1 1 424.633 4.080 50 0 HIAAMO CCn1c2ccccc2nc1CN(C)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000011664647 558268190 /nfs/dbraw/zinc/26/81/90/558268190.db2.gz YBHLMQWZUJTIFZ-UHFFFAOYSA-N 1 1 420.601 4.451 50 0 HIAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)[nH]n1 ZINC000011664849 558268421 /nfs/dbraw/zinc/26/84/21/558268421.db2.gz JBYGPFKDNUBPII-LJQANCHMSA-N 1 1 416.997 4.288 50 0 HIAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccc(Cl)cc3)C2)n[nH]1 ZINC000011664849 558268424 /nfs/dbraw/zinc/26/84/24/558268424.db2.gz JBYGPFKDNUBPII-LJQANCHMSA-N 1 1 416.997 4.288 50 0 HIAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)n[nH]1 ZINC000011664849 558268427 /nfs/dbraw/zinc/26/84/27/558268427.db2.gz JBYGPFKDNUBPII-LJQANCHMSA-N 1 1 416.997 4.288 50 0 HIAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)Cc2cnn(-c3ccccc3)c2)C1 ZINC000011703473 558270538 /nfs/dbraw/zinc/27/05/38/558270538.db2.gz XSPKMHIAWFOWPR-QFIPXVFZSA-N 1 1 418.585 4.267 50 0 HIAAMO O=C(c1ccccc1OC1CC[NH+](Cc2cccc(F)c2F)CC1)N1CCCC1 ZINC000011814493 558278742 /nfs/dbraw/zinc/27/87/42/558278742.db2.gz MOZRUXFKZWQHLF-UHFFFAOYSA-N 1 1 400.469 4.244 50 0 HIAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCn2ccnc2C)c1 ZINC000019792710 558283422 /nfs/dbraw/zinc/28/34/22/558283422.db2.gz GIQFUIVNWDXMCW-UHFFFAOYSA-N 1 1 401.514 4.185 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+]2CCCC[C@@H]2CO)cc1F ZINC000011873548 558291237 /nfs/dbraw/zinc/29/12/37/558291237.db2.gz SSKLFHMKTZYMSR-HXUWFJFHSA-N 1 1 409.505 4.342 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(CO)o3)C2)cc1 ZINC000011878497 558292832 /nfs/dbraw/zinc/29/28/32/558292832.db2.gz DAWWVVGXEOQCEZ-LJQANCHMSA-N 1 1 420.509 4.298 50 0 HIAAMO CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3CCc3ccccc3F)C2)cc1 ZINC000011997859 558307210 /nfs/dbraw/zinc/30/72/10/558307210.db2.gz UVORHYOTIPMCGJ-QPPBQGQZSA-N 1 1 410.533 4.280 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@@H+](CCCn2cccn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012023005 558309790 /nfs/dbraw/zinc/30/97/90/558309790.db2.gz SNJDUKVAYJXDMG-KRWDZBQOSA-N 1 1 408.468 4.423 50 0 HIAAMO O=C(Nc1ccc2c(c1)OCCO2)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020036848 558325132 /nfs/dbraw/zinc/32/51/32/558325132.db2.gz HBIMSLFXCJQNRH-UHFFFAOYSA-N 1 1 400.478 4.268 50 0 HIAAMO CCCCc1ncc(CN2CCC[C@H]([NH+]3CCN(c4cccc(Cl)c4)CC3)C2)[nH]1 ZINC000020138448 558338233 /nfs/dbraw/zinc/33/82/33/558338233.db2.gz GJBIYNRDQTUSEQ-QFIPXVFZSA-N 1 1 416.013 4.192 50 0 HIAAMO CCOc1ccc2oc(=O)cc(C[NH+]3CCN(c4cc(Cl)ccc4C)CC3)c2c1 ZINC000020177614 558344078 /nfs/dbraw/zinc/34/40/78/558344078.db2.gz YVBMAMNYRFUWIS-UHFFFAOYSA-N 1 1 412.917 4.476 50 0 HIAAMO Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)N2CC[NH+](C)CC2)c1C ZINC000020193536 558344783 /nfs/dbraw/zinc/34/47/83/558344783.db2.gz CNWUDJYZOIOLIC-JOCHJYFZSA-N 1 1 420.582 4.349 50 0 HIAAMO CC(C)Cn1c(C[N@H+](C)C2CCCCC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000012297261 558367309 /nfs/dbraw/zinc/36/73/09/558367309.db2.gz FCPPLBGFMOIKMN-UHFFFAOYSA-N 1 1 403.592 4.278 50 0 HIAAMO CC(C)Cn1c(C[N@@H+](C)C2CCCCC2)cnc1S(=O)(=O)Cc1ccccc1 ZINC000012297261 558367315 /nfs/dbraw/zinc/36/73/15/558367315.db2.gz FCPPLBGFMOIKMN-UHFFFAOYSA-N 1 1 403.592 4.278 50 0 HIAAMO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C3CCCCC3)cc2)C1 ZINC000012300119 558370102 /nfs/dbraw/zinc/37/01/02/558370102.db2.gz PHUXNENBROMIGZ-HXUWFJFHSA-N 1 1 408.590 4.483 50 0 HIAAMO CC(C)c1cc(C[N@@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000012301244 558370991 /nfs/dbraw/zinc/37/09/91/558370991.db2.gz UOBADSZNXHGFOA-KRWDZBQOSA-N 1 1 414.981 4.247 50 0 HIAAMO CC(C)c1cc(C[N@H+]2CCC[C@@H](CNC(=O)C3(c4ccc(Cl)cc4)CC3)C2)[nH]n1 ZINC000012301244 558370994 /nfs/dbraw/zinc/37/09/94/558370994.db2.gz UOBADSZNXHGFOA-KRWDZBQOSA-N 1 1 414.981 4.247 50 0 HIAAMO O=C(CC[C@H]1CCC[N@H+](Cc2ccc(CO)o2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012387489 558396514 /nfs/dbraw/zinc/39/65/14/558396514.db2.gz VNSHOZIZKFPSPS-OAHLLOKOSA-N 1 1 410.436 4.422 50 0 HIAAMO C[NH+](C)[C@H](CNC(=O)C1=C(c2ccccc2)SCCO1)c1ccccc1Cl ZINC000020727112 558405120 /nfs/dbraw/zinc/40/51/20/558405120.db2.gz AJMGWBFZZYQXMN-GOSISDBHSA-N 1 1 402.947 4.191 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1 ZINC000012432279 558406650 /nfs/dbraw/zinc/40/66/50/558406650.db2.gz WYFYZNXFBNRHFD-QFIPXVFZSA-N 1 1 418.541 4.429 50 0 HIAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)cc1F ZINC000012438715 558410042 /nfs/dbraw/zinc/41/00/42/558410042.db2.gz QMWURRWMOVTHNI-KRWDZBQOSA-N 1 1 411.452 4.458 50 0 HIAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012446041 558414069 /nfs/dbraw/zinc/41/40/69/558414069.db2.gz UJHGTZBABHOAFZ-HSZRJFAPSA-N 1 1 401.510 4.370 50 0 HIAAMO CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000012570660 558428700 /nfs/dbraw/zinc/42/87/00/558428700.db2.gz HTDAKFBSMFVGDN-RUZDIDTESA-N 1 1 409.526 4.286 50 0 HIAAMO COc1ccc(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+](CCCn3cccn3)C2)cc1 ZINC000012577409 558431588 /nfs/dbraw/zinc/43/15/88/558431588.db2.gz GLWYBXSZPVUVQY-OAQYLSRUSA-N 1 1 418.541 4.300 50 0 HIAAMO COc1cc(OC)c(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)c(OC)c1 ZINC000012579539 558432118 /nfs/dbraw/zinc/43/21/18/558432118.db2.gz DRKBNVPIPQDMBZ-HSZRJFAPSA-N 1 1 419.949 4.183 50 0 HIAAMO COc1ccc(CNC[C@H](c2cccs2)[NH+]2CCC(C)CC2)c(OC)c1OC ZINC000021841291 558451740 /nfs/dbraw/zinc/45/17/40/558451740.db2.gz WILIMXPPGYUFJO-GOSISDBHSA-N 1 1 404.576 4.337 50 0 HIAAMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccccc1 ZINC000022075447 558462375 /nfs/dbraw/zinc/46/23/75/558462375.db2.gz ZVRFWAWBVPEFSG-UHFFFAOYSA-N 1 1 407.352 4.078 50 0 HIAAMO CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012798805 558470626 /nfs/dbraw/zinc/47/06/26/558470626.db2.gz AVOWQVMEVISWRV-XMSQKQJNSA-N 1 1 408.542 4.425 50 0 HIAAMO CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012798805 558470627 /nfs/dbraw/zinc/47/06/27/558470627.db2.gz AVOWQVMEVISWRV-XMSQKQJNSA-N 1 1 408.542 4.425 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012972757 558489556 /nfs/dbraw/zinc/48/95/56/558489556.db2.gz UUHQVKQBRRIBOX-ZDUSSCGKSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000012972757 558489557 /nfs/dbraw/zinc/48/95/57/558489557.db2.gz UUHQVKQBRRIBOX-ZDUSSCGKSA-N 1 1 404.301 4.206 50 0 HIAAMO CN(Cc1cccc(Cl)c1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000022436601 558489697 /nfs/dbraw/zinc/48/96/97/558489697.db2.gz HMFKAWNZUUGNRH-UHFFFAOYSA-N 1 1 422.356 4.167 50 0 HIAAMO C[NH+](C)[C@@H](CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccco1 ZINC000013013107 558503394 /nfs/dbraw/zinc/50/33/94/558503394.db2.gz BBDIESDGPPXURU-IBGZPJMESA-N 1 1 424.888 4.411 50 0 HIAAMO COc1ccccc1[C@@H](CNc1cnn(-c2ccccc2)c(=O)c1Cl)[NH+]1CCCC1 ZINC000013096380 558513109 /nfs/dbraw/zinc/51/31/09/558513109.db2.gz CWFHSHFGTUACAG-HXUWFJFHSA-N 1 1 424.932 4.144 50 0 HIAAMO c1ccc(C(c2ccccc2)[NH+]2CCN(Cc3nc(-c4ccccn4)no3)CC2)cc1 ZINC000022926010 558523159 /nfs/dbraw/zinc/52/31/59/558523159.db2.gz NCOUGZDQDKUVJR-UHFFFAOYSA-N 1 1 411.509 4.039 50 0 HIAAMO C[N@@H+](C[C@H](O)COCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238134 558544937 /nfs/dbraw/zinc/54/49/37/558544937.db2.gz IDPPVBCRAKJMDN-DHLKQENFSA-N 1 1 423.484 4.153 50 0 HIAAMO CCN1C[C@H](C[N@@H+](C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1=O ZINC000013594457 558546844 /nfs/dbraw/zinc/54/68/44/558546844.db2.gz QCGWBWHIOXGCBH-NRFANRHFSA-N 1 1 416.569 4.456 50 0 HIAAMO O=C(c1ccc2c(c1)OCO2)[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000014949615 558680786 /nfs/dbraw/zinc/68/07/86/558680786.db2.gz FEBOEAKWPRTPOK-LJQANCHMSA-N 1 1 417.465 4.093 50 0 HIAAMO CCc1ccc(C[N@H+]2CCC[C@@H](CCC(=O)NCc3ccc(OC)cc3OC)C2)o1 ZINC000014949970 558680811 /nfs/dbraw/zinc/68/08/11/558680811.db2.gz LBJJSPIKWQBZRZ-SFHVURJKSA-N 1 1 414.546 4.168 50 0 HIAAMO CCc1noc(CN2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)n1 ZINC000027904442 558684341 /nfs/dbraw/zinc/68/43/41/558684341.db2.gz PDVJVMMEGXPBBG-UHFFFAOYSA-N 1 1 402.951 4.332 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc2c1OCO2 ZINC000014970502 558687394 /nfs/dbraw/zinc/68/73/94/558687394.db2.gz AUDCTNDKRBMVNG-SFHVURJKSA-N 1 1 411.498 4.144 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc2c1OCO2 ZINC000014970502 558687397 /nfs/dbraw/zinc/68/73/97/558687397.db2.gz AUDCTNDKRBMVNG-SFHVURJKSA-N 1 1 411.498 4.144 50 0 HIAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000014975639 558689024 /nfs/dbraw/zinc/68/90/24/558689024.db2.gz DWBCZFJRCQRXDB-KRWDZBQOSA-N 1 1 403.473 4.295 50 0 HIAAMO COCCN(Cc1cc2ccccc2[nH]1)C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000014981350 558691962 /nfs/dbraw/zinc/69/19/62/558691962.db2.gz DCOVMMIZWHFJPM-NRFANRHFSA-N 1 1 417.597 4.496 50 0 HIAAMO Cc1cc(C)c2oc(C(=O)NC[C@H](c3cccs3)[NH+]3CCCCC3)cc(=O)c2c1 ZINC000028289034 558695761 /nfs/dbraw/zinc/69/57/61/558695761.db2.gz INJWXRGOBDMBES-GOSISDBHSA-N 1 1 410.539 4.428 50 0 HIAAMO COc1ccccc1C[N@H+]1CCC[C@@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000015000615 558697586 /nfs/dbraw/zinc/69/75/86/558697586.db2.gz BVPVWGJYCGRMJF-HXUWFJFHSA-N 1 1 408.571 4.496 50 0 HIAAMO CCOc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1OC ZINC000004555317 558724329 /nfs/dbraw/zinc/72/43/29/558724329.db2.gz PAMQTNGQIKRATH-IBGZPJMESA-N 1 1 401.532 4.351 50 0 HIAAMO CCS[C@@H]1CC[C@@H](NC(=O)[C@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072303493 558755952 /nfs/dbraw/zinc/75/59/52/558755952.db2.gz GLIYGQSVFUSNAY-LMMKCTJWSA-N 1 1 400.510 4.231 50 0 HIAAMO C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072305009 558757047 /nfs/dbraw/zinc/75/70/47/558757047.db2.gz PJRMFQGLSRNIKD-WIOPSUGQSA-N 1 1 405.586 4.024 50 0 HIAAMO C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000072305009 558757049 /nfs/dbraw/zinc/75/70/49/558757049.db2.gz PJRMFQGLSRNIKD-WIOPSUGQSA-N 1 1 405.586 4.024 50 0 HIAAMO Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[NH+]2CCCCC2)o1 ZINC000015860431 558758085 /nfs/dbraw/zinc/75/80/85/558758085.db2.gz KCGPIYPZYINIPT-GOSISDBHSA-N 1 1 408.498 4.268 50 0 HIAAMO O=S(=O)(NC[C@H]([NH2+]Cc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000004745121 558780774 /nfs/dbraw/zinc/78/07/74/558780774.db2.gz QIPVENBGVDEQBP-NRFANRHFSA-N 1 1 400.931 4.149 50 0 HIAAMO C[C@H](CCc1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000054969044 558869883 /nfs/dbraw/zinc/86/98/83/558869883.db2.gz FCJQGMMWIQWYIV-HXUWFJFHSA-N 1 1 408.567 4.167 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2ccncn2)c(F)c1 ZINC000055089018 558871756 /nfs/dbraw/zinc/87/17/56/558871756.db2.gz DVUPTRDSOSPILF-UHFFFAOYSA-N 1 1 403.461 4.109 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2ccncn2)c(F)c1 ZINC000055089018 558871760 /nfs/dbraw/zinc/87/17/60/558871760.db2.gz DVUPTRDSOSPILF-UHFFFAOYSA-N 1 1 403.461 4.109 50 0 HIAAMO c1ccc(C[N@@H+]2CCC[C@@]3(CCCN(Cc4nc(-c5ccccn5)no4)C3)C2)cc1 ZINC000055198863 558875795 /nfs/dbraw/zinc/87/57/95/558875795.db2.gz XKAYWHFLISPUOD-XMMPIXPASA-N 1 1 403.530 4.010 50 0 HIAAMO C[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)cc1Cl ZINC000058137861 558901234 /nfs/dbraw/zinc/90/12/34/558901234.db2.gz ZFUAYPMXWBUEAW-GFCCVEGCSA-N 1 1 406.313 4.175 50 0 HIAAMO CC[C@@](C)(CNC(=O)Nc1ccc(N2CCc3ccccc32)cc1)[NH+]1CCOCC1 ZINC000058157670 558903366 /nfs/dbraw/zinc/90/33/66/558903366.db2.gz SYYCXJUKQBGXTA-DEOSSOPVSA-N 1 1 408.546 4.003 50 0 HIAAMO COc1c[nH]c(C[N@@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1=O ZINC000071661647 558906403 /nfs/dbraw/zinc/90/64/03/558906403.db2.gz JRYPUSAXMAOUDJ-NRFANRHFSA-N 1 1 402.494 4.145 50 0 HIAAMO COc1c[nH]c(C[N@H+]2CCC[C@H](C(=O)c3ccc(-c4ccccc4)cc3)C2)cc1=O ZINC000071661647 558906405 /nfs/dbraw/zinc/90/64/05/558906405.db2.gz JRYPUSAXMAOUDJ-NRFANRHFSA-N 1 1 402.494 4.145 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)Nc4ccccc4C)CC3)nc(C)[nH+]2)cc1 ZINC000065365397 558976433 /nfs/dbraw/zinc/97/64/33/558976433.db2.gz HWRDPXVCGPVDPV-UHFFFAOYSA-N 1 1 416.529 4.500 50 0 HIAAMO Cc1cccc2cc(CN3CC[N@H+](C)[C@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000072412250 558977744 /nfs/dbraw/zinc/97/77/44/558977744.db2.gz IZPKBHYCBIMNRY-JOCHJYFZSA-N 1 1 409.961 4.362 50 0 HIAAMO Cc1cccc2cc(C[N@H+]3CCN(C)[C@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000072412250 558977748 /nfs/dbraw/zinc/97/77/48/558977748.db2.gz IZPKBHYCBIMNRY-JOCHJYFZSA-N 1 1 409.961 4.362 50 0 HIAAMO Cc1cccc2cc(C[N@@H+]3CCN(C)[C@H](CCO)C3)c(-c3cccc(Cl)c3)nc12 ZINC000072412250 558977752 /nfs/dbraw/zinc/97/77/52/558977752.db2.gz IZPKBHYCBIMNRY-JOCHJYFZSA-N 1 1 409.961 4.362 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2CN2CCC[N@@H+](C)CC2)cc1F ZINC000072425880 558978973 /nfs/dbraw/zinc/97/89/73/558978973.db2.gz CPISKYAJLKVQRK-UHFFFAOYSA-N 1 1 408.521 4.133 50 0 HIAAMO C[C@H](NC(=S)Nc1ccc(Cl)cc1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031400 558985454 /nfs/dbraw/zinc/98/54/54/558985454.db2.gz XKMHUPMHVSUKQK-OXJNMPFZSA-N 1 1 402.995 4.004 50 0 HIAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287939 559049167 /nfs/dbraw/zinc/04/91/67/559049167.db2.gz DTTJTIUDHUUWSZ-LAUBAEHRSA-N 1 1 412.505 4.344 50 0 HIAAMO C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000011287939 559049169 /nfs/dbraw/zinc/04/91/69/559049169.db2.gz DTTJTIUDHUUWSZ-LAUBAEHRSA-N 1 1 412.505 4.344 50 0 HIAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+](C)CC(=O)NCc1cccs1 ZINC000011343840 559057547 /nfs/dbraw/zinc/05/75/47/559057547.db2.gz MOFFXLVLDVGMTL-QGZVFWFLSA-N 1 1 407.539 4.310 50 0 HIAAMO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000011343840 559057548 /nfs/dbraw/zinc/05/75/48/559057548.db2.gz MOFFXLVLDVGMTL-QGZVFWFLSA-N 1 1 407.539 4.310 50 0 HIAAMO Cn1nc(C(C)(C)C)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023320390 559125881 /nfs/dbraw/zinc/12/58/81/559125881.db2.gz KMWQZFYKCCBIMT-UHFFFAOYSA-N 1 1 416.569 4.265 50 0 HIAAMO Cc1ccc(SCCC(=O)Nc2sc3c(c2C(N)=O)CC[N@@H+](C(C)C)C3)cc1 ZINC000005191348 559291451 /nfs/dbraw/zinc/29/14/51/559291451.db2.gz NDNWWOPYLYGEFH-UHFFFAOYSA-N 1 1 417.600 4.043 50 0 HIAAMO Cc1ccc(SCCC(=O)Nc2sc3c(c2C(N)=O)CC[N@H+](C(C)C)C3)cc1 ZINC000005191348 559291452 /nfs/dbraw/zinc/29/14/52/559291452.db2.gz NDNWWOPYLYGEFH-UHFFFAOYSA-N 1 1 417.600 4.043 50 0 HIAAMO Cc1c(C)n(C[C@H](O)C[N@@H+](Cc2ccccc2)[C@@H]2CCCC[C@@H]2O)c2ccccc12 ZINC000005612602 560630787 /nfs/dbraw/zinc/63/07/87/560630787.db2.gz MEUDZLHQBCXDFC-RCXJIHSJSA-N 1 1 406.570 4.425 50 0 HIAAMO O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217495 560784907 /nfs/dbraw/zinc/78/49/07/560784907.db2.gz DFLNRCRZULWVJD-UHFFFAOYSA-N 1 1 400.522 4.045 50 0 HIAAMO CCc1nn2c(nc(C[N@H+](Cc3ccccc3)Cc3ccc(C)cc3)cc2=O)s1 ZINC000046032338 568424689 /nfs/dbraw/zinc/42/46/89/568424689.db2.gz VQTZMJXDEHZCFP-UHFFFAOYSA-N 1 1 404.539 4.224 50 0 HIAAMO CCc1nn2c(nc(C[N@@H+](Cc3ccccc3)Cc3ccc(C)cc3)cc2=O)s1 ZINC000046032338 568424691 /nfs/dbraw/zinc/42/46/91/568424691.db2.gz VQTZMJXDEHZCFP-UHFFFAOYSA-N 1 1 404.539 4.224 50 0 HIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCc3nc(C(C)(C)C)no3)cc2)C1 ZINC000048310171 568436540 /nfs/dbraw/zinc/43/65/40/568436540.db2.gz NIMVNEHCJCOTIC-HDICACEKSA-N 1 1 412.578 4.094 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000049605869 568452568 /nfs/dbraw/zinc/45/25/68/568452568.db2.gz ZPXFDEIKWYHIKC-LJQANCHMSA-N 1 1 415.497 4.087 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000049605869 568452570 /nfs/dbraw/zinc/45/25/70/568452570.db2.gz ZPXFDEIKWYHIKC-LJQANCHMSA-N 1 1 415.497 4.087 50 0 HIAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](Cc5ccccc5)CC4)[C@H]3C=C12 ZINC000020111195 568588502 /nfs/dbraw/zinc/58/85/02/568588502.db2.gz YPMLFSMYZFGFFZ-BFXCOLBMSA-N 1 1 408.586 4.118 50 0 HIAAMO CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CC[NH+](C)CC1 ZINC000020111539 568588727 /nfs/dbraw/zinc/58/87/27/568588727.db2.gz UNYGZEPGZXFKQW-APBSARFUSA-N 1 1 420.638 4.194 50 0 HIAAMO C[C@H](NC(=O)c1ccco1)[C@@H](c1cccs1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000020289216 568597934 /nfs/dbraw/zinc/59/79/34/568597934.db2.gz BXYBJRJCIGHFMM-KKSFZXQISA-N 1 1 413.518 4.162 50 0 HIAAMO Cc1[nH+]ccn1Cc1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 ZINC000095349111 568600450 /nfs/dbraw/zinc/60/04/50/568600450.db2.gz QJIFMJLFZNCGOL-UHFFFAOYSA-N 1 1 411.465 4.139 50 0 HIAAMO CN(C(=O)Nc1ccc(F)cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095446445 568612087 /nfs/dbraw/zinc/61/20/87/568612087.db2.gz ZRAOIVLDVHSHPI-UXHICEINSA-N 1 1 410.965 4.280 50 0 HIAAMO CC[N@@H+](CCC1CCN(C(=O)c2c[nH]nc2-c2ccc(OC)cc2)CC1)CC1CC1 ZINC000095458128 568618984 /nfs/dbraw/zinc/61/89/84/568618984.db2.gz PMKJOSSAIXFNLV-UHFFFAOYSA-N 1 1 410.562 4.060 50 0 HIAAMO CO[C@@H](C[NH+]1CCN(Cc2ccc(Br)cn2)CC1)c1ccc(Cl)cc1 ZINC000225772246 568673444 /nfs/dbraw/zinc/67/34/44/568673444.db2.gz IIOVMYIYGDOAHI-IBGZPJMESA-N 1 1 424.770 4.003 50 0 HIAAMO Cc1nn2c(ncc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)c2C)c1-c1cccc(C)c1 ZINC000021537901 568712966 /nfs/dbraw/zinc/71/29/66/568712966.db2.gz BJEXPFVOMMPRCZ-GOSISDBHSA-N 1 1 419.573 4.316 50 0 HIAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3C(C)C)C2)cc1 ZINC000248118096 568747473 /nfs/dbraw/zinc/74/74/73/568747473.db2.gz TZMQJESTKIALMA-OAQYLSRUSA-N 1 1 404.558 4.454 50 0 HIAAMO CCN1CC[NH+](Cc2ccc(CNC(=O)/C=C(\C)CCc3ccccc3)cc2)CC1 ZINC000096402667 568750338 /nfs/dbraw/zinc/75/03/38/568750338.db2.gz GSPWLLUUZXGQEL-ZBJSNUHESA-N 1 1 405.586 4.019 50 0 HIAAMO COc1ccc(C)cc1[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000056453747 568806928 /nfs/dbraw/zinc/80/69/28/568806928.db2.gz JASOLLNUEKDANS-MRXNPFEDSA-N 1 1 417.500 4.307 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1N1CCCC1 ZINC000012545555 568850239 /nfs/dbraw/zinc/85/02/39/568850239.db2.gz OMNJNACHHLCFRH-OAQYLSRUSA-N 1 1 421.541 4.224 50 0 HIAAMO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1N1CCCC1 ZINC000012545555 568850240 /nfs/dbraw/zinc/85/02/40/568850240.db2.gz OMNJNACHHLCFRH-OAQYLSRUSA-N 1 1 421.541 4.224 50 0 HIAAMO Cc1ccc([C@H](NCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547259 568852602 /nfs/dbraw/zinc/85/26/02/568852602.db2.gz HEDPYSADSXQTFP-XNMGPUDCSA-N 1 1 413.565 4.065 50 0 HIAAMO Cc1ccc([C@H](NCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547268 568852718 /nfs/dbraw/zinc/85/27/18/568852718.db2.gz HEDPYSADSXQTFP-AHKZPQOWSA-N 1 1 413.565 4.065 50 0 HIAAMO Cc1ccc([C@@H](NCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc2)cc1 ZINC000057547271 568852844 /nfs/dbraw/zinc/85/28/44/568852844.db2.gz HEDPYSADSXQTFP-BDYUSTAISA-N 1 1 413.565 4.065 50 0 HIAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(N(C)Cc3ccncc3)n2)CCC4)CC1 ZINC000012588824 568867891 /nfs/dbraw/zinc/86/78/91/568867891.db2.gz XBNBJDIPBLLADT-UHFFFAOYSA-N 1 1 407.587 4.443 50 0 HIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000263586281 568879165 /nfs/dbraw/zinc/87/91/65/568879165.db2.gz SCTRVODRCACHKZ-ISJGIBHGSA-N 1 1 423.601 4.011 50 0 HIAAMO CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000058148997 568892399 /nfs/dbraw/zinc/89/23/99/568892399.db2.gz BLIVJOHQDPZONU-UHFFFAOYSA-N 1 1 402.542 4.188 50 0 HIAAMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(NC(=O)C(C)(C)C)c3)CC2)cc1 ZINC000031225406 568919803 /nfs/dbraw/zinc/91/98/03/568919803.db2.gz PJTDMEAVUGDVFI-UHFFFAOYSA-N 1 1 407.558 4.328 50 0 HIAAMO CC(C)[N@@H+]1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1 ZINC000004087086 568940731 /nfs/dbraw/zinc/94/07/31/568940731.db2.gz QHSZORUQNYZRRC-UHFFFAOYSA-N 1 1 412.342 4.173 50 0 HIAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3cc(Cl)cc(Cl)c3)c2C(N)=O)C1 ZINC000004087086 568940734 /nfs/dbraw/zinc/94/07/34/568940734.db2.gz QHSZORUQNYZRRC-UHFFFAOYSA-N 1 1 412.342 4.173 50 0 HIAAMO C[NH+]1CCN(CC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000019203536 568940949 /nfs/dbraw/zinc/94/09/49/568940949.db2.gz LJMNIRFVWJVEFD-UHFFFAOYSA-N 1 1 407.461 4.082 50 0 HIAAMO Cn1c2ccc(C(=O)OC[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2nc1C(F)(F)F ZINC000084311100 568946031 /nfs/dbraw/zinc/94/60/31/568946031.db2.gz OPMKDTCFGDEJOX-INIZCTEOSA-N 1 1 417.431 4.271 50 0 HIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)Nc1ccccc1C(F)(F)F ZINC000004315258 568961502 /nfs/dbraw/zinc/96/15/02/568961502.db2.gz BNLOLMNXTQNIBS-UHFFFAOYSA-N 1 1 402.420 4.400 50 0 HIAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000008168859 568979697 /nfs/dbraw/zinc/97/96/97/568979697.db2.gz KBUUNPXMFAHFOF-OAQYLSRUSA-N 1 1 411.933 4.034 50 0 HIAAMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000008188080 568980660 /nfs/dbraw/zinc/98/06/60/568980660.db2.gz IDVCDIOODFOVGB-HSZRJFAPSA-N 1 1 419.521 4.404 50 0 HIAAMO CCc1cc([C@H](c2ccccc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546439 569000211 /nfs/dbraw/zinc/00/02/11/569000211.db2.gz FDJQUZWIZKLKKV-NRFANRHFSA-N 1 1 409.555 4.493 50 0 HIAAMO CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012865582 569012122 /nfs/dbraw/zinc/01/21/22/569012122.db2.gz SEHGNHPXIGVLLE-QFIPXVFZSA-N 1 1 408.542 4.206 50 0 HIAAMO CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000012865582 569012123 /nfs/dbraw/zinc/01/21/23/569012123.db2.gz SEHGNHPXIGVLLE-QFIPXVFZSA-N 1 1 408.542 4.206 50 0 HIAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000004084037 569042786 /nfs/dbraw/zinc/04/27/86/569042786.db2.gz IFTUWZFWZFURTJ-OPXMRZJTSA-N 1 1 422.525 4.031 50 0 biogenic HIAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000004084037 569042787 /nfs/dbraw/zinc/04/27/87/569042787.db2.gz IFTUWZFWZFURTJ-OPXMRZJTSA-N 1 1 422.525 4.031 50 0 biogenic HIAAMO COC(=O)c1ccc(C[N@H+](C)CC(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000013016443 569050862 /nfs/dbraw/zinc/05/08/62/569050862.db2.gz GVJACGGSYLZPAC-UHFFFAOYSA-N 1 1 400.563 4.399 50 0 HIAAMO COC(=O)c1ccc(C[N@@H+](C)CC(=O)N(C2CCCCC2)C2CCCCC2)cc1 ZINC000013016443 569050863 /nfs/dbraw/zinc/05/08/63/569050863.db2.gz GVJACGGSYLZPAC-UHFFFAOYSA-N 1 1 400.563 4.399 50 0 HIAAMO C[N@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843617 569062410 /nfs/dbraw/zinc/06/24/10/569062410.db2.gz JBXOWHOWSUYNLA-LJQANCHMSA-N 1 1 423.351 4.294 50 0 HIAAMO C[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(Br)cc1 ZINC000035843617 569062411 /nfs/dbraw/zinc/06/24/11/569062411.db2.gz JBXOWHOWSUYNLA-LJQANCHMSA-N 1 1 423.351 4.294 50 0 HIAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](CCC(C)C)CC2)n1 ZINC000035925689 569066371 /nfs/dbraw/zinc/06/63/71/569066371.db2.gz XUIWYMMAQWKZSF-UHFFFAOYSA-N 1 1 406.578 4.326 50 0 HIAAMO CCOC(=O)C1=C(C[N@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991457 569074590 /nfs/dbraw/zinc/07/45/90/569074590.db2.gz SHAYIKSRTFVRKD-HSZRJFAPSA-N 1 1 421.541 4.030 50 0 HIAAMO CCOC(=O)C1=C(C[N@@H+](C)Cc2ccccc2)N(CC)C(=O)N[C@@H]1c1cccc(C)c1 ZINC000035991457 569074591 /nfs/dbraw/zinc/07/45/91/569074591.db2.gz SHAYIKSRTFVRKD-HSZRJFAPSA-N 1 1 421.541 4.030 50 0 HIAAMO Cc1ccc(C)c(C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H](O)COc2ccccc2)c1 ZINC000036031687 569081065 /nfs/dbraw/zinc/08/10/65/569081065.db2.gz JQKMAGVQKHMHHG-QHCPKHFHSA-N 1 1 419.521 4.474 50 0 HIAAMO Cc1ccc(C[N@@H+](Cc2nc(C(=O)NCCc3ccccn3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063908 569085579 /nfs/dbraw/zinc/08/55/79/569085579.db2.gz WXMBRIDMNCMBPH-FQEVSTJZSA-N 1 1 420.557 4.397 50 0 HIAAMO Cc1ccc(C[N@H+](Cc2nc(C(=O)NCCc3ccccn3)co2)[C@@H](C)C(C)C)cc1 ZINC000036063908 569085580 /nfs/dbraw/zinc/08/55/80/569085580.db2.gz WXMBRIDMNCMBPH-FQEVSTJZSA-N 1 1 420.557 4.397 50 0 HIAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3cccnc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065590 569085819 /nfs/dbraw/zinc/08/58/19/569085819.db2.gz OZRYYSLMTCKKJV-SFHVURJKSA-N 1 1 422.529 4.055 50 0 HIAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3cccnc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065590 569085820 /nfs/dbraw/zinc/08/58/20/569085820.db2.gz OZRYYSLMTCKKJV-SFHVURJKSA-N 1 1 422.529 4.055 50 0 HIAAMO COc1cc(C[N@@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)cc(OC)c1 ZINC000036095132 569089838 /nfs/dbraw/zinc/08/98/38/569089838.db2.gz CRFOXPNYENHTMW-QFIPXVFZSA-N 1 1 401.547 4.130 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000036102172 569091834 /nfs/dbraw/zinc/09/18/34/569091834.db2.gz DANDMDXSEGBKJN-JOCHJYFZSA-N 1 1 407.510 4.146 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036102358 569091894 /nfs/dbraw/zinc/09/18/94/569091894.db2.gz OUBRMTJJTLZPGZ-XMMPIXPASA-N 1 1 409.501 4.414 50 0 HIAAMO Cc1cccc(NC(=O)Nc2ccc(Nc3cc(C)[nH+]c(N4CCOCC4)n3)cc2)c1 ZINC000064801344 569096989 /nfs/dbraw/zinc/09/69/89/569096989.db2.gz OKXDVDCQXGKZCH-UHFFFAOYSA-N 1 1 418.501 4.318 50 0 HIAAMO Cc1ccccc1C1=NO[C@@H](C[N@H+](Cc2ccccc2)C[C@H](O)COC(C)(C)C)C1 ZINC000036145791 569098407 /nfs/dbraw/zinc/09/84/07/569098407.db2.gz HVICNLVSWQTVTE-FCHUYYIVSA-N 1 1 410.558 4.166 50 0 HIAAMO Cc1onc(-c2ccc(Br)s2)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000064820213 569102538 /nfs/dbraw/zinc/10/25/38/569102538.db2.gz SJVDEBQOOUIFEV-NSHDSACASA-N 1 1 412.353 4.078 50 0 HIAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCC(C)CC1)C[C@@H](O)COCC ZINC000036249887 569119163 /nfs/dbraw/zinc/11/91/63/569119163.db2.gz BSYABDWUJIVZCQ-OAQYLSRUSA-N 1 1 415.578 4.187 50 0 HIAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2CN(CC(C)C)C(=O)C(C)C)c1 ZINC000169679572 569126857 /nfs/dbraw/zinc/12/68/57/569126857.db2.gz NQCIRBLFTLMGGH-NOZRDPDXSA-N 1 1 423.601 4.446 50 0 HIAAMO CCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)C[C@@H](O)c1ccccc1 ZINC000169679505 569126994 /nfs/dbraw/zinc/12/69/94/569126994.db2.gz KOUAIDBBZCSZFF-MAUKXSAKSA-N 1 1 411.571 4.055 50 0 HIAAMO CCC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)C[C@@H](O)c1ccccc1 ZINC000169679505 569126996 /nfs/dbraw/zinc/12/69/96/569126996.db2.gz KOUAIDBBZCSZFF-MAUKXSAKSA-N 1 1 411.571 4.055 50 0 HIAAMO CC[C@@H](C)N(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)C(=O)C(C)C ZINC000036312140 569132741 /nfs/dbraw/zinc/13/27/41/569132741.db2.gz VXOLLHCZYXYLER-QGZVFWFLSA-N 1 1 416.541 4.016 50 0 HIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccc(C)cc3)C2)c(OC)c1 ZINC000036340913 569141488 /nfs/dbraw/zinc/14/14/88/569141488.db2.gz XJLXEHGFQDYUNH-HSZRJFAPSA-N 1 1 421.541 4.176 50 0 HIAAMO COc1ccccc1C1=NN(C(=O)C[NH+]2CCCCC2)[C@@H](c2cc(C)ccc2C)C1 ZINC000036344677 569142664 /nfs/dbraw/zinc/14/26/64/569142664.db2.gz YYUFXRCXUDPQKA-HSZRJFAPSA-N 1 1 405.542 4.476 50 0 HIAAMO Cc1ccc(CNC(=O)N[C@@H](C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000006877424 569164305 /nfs/dbraw/zinc/16/43/05/569164305.db2.gz XHKLLDVLRDWMHV-KRWDZBQOSA-N 1 1 408.571 4.396 50 0 HIAAMO CSc1ncc(Cl)c(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)n1 ZINC000036397282 569169944 /nfs/dbraw/zinc/16/99/44/569169944.db2.gz DPQCPAIGYPDIGJ-AWEZNQCLSA-N 1 1 404.967 4.014 50 0 HIAAMO Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCC[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000065136598 569183389 /nfs/dbraw/zinc/18/33/89/569183389.db2.gz XQZVPFJRKSLDTP-SFTDATJTSA-N 1 1 414.594 4.010 50 0 HIAAMO CSc1ncc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)c(-c2ccccc2)n1 ZINC000006938212 569185362 /nfs/dbraw/zinc/18/53/62/569185362.db2.gz OCWKGJDKLNECCU-UHFFFAOYSA-N 1 1 406.555 4.117 50 0 HIAAMO O=C(CCn1ccc2ccc(Br)cc21)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000036584678 569203030 /nfs/dbraw/zinc/20/30/30/569203030.db2.gz QQYGRJKCRMSBOA-IEBWSBKVSA-N 1 1 418.379 4.175 50 0 HIAAMO Clc1cccc(C[N@H+]2CCCN(c3ncccc3-c3nc(C4CC4)no3)CC2)c1 ZINC000065257950 569209862 /nfs/dbraw/zinc/20/98/62/569209862.db2.gz PJMJWBUQUIPJTA-UHFFFAOYSA-N 1 1 409.921 4.375 50 0 HIAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1 ZINC000065479690 569231706 /nfs/dbraw/zinc/23/17/06/569231706.db2.gz RERRNOKZDXSUQJ-AWEZNQCLSA-N 1 1 407.436 4.110 50 0 HIAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-c2cccnc2)nc2ccccc21 ZINC000014043237 569258367 /nfs/dbraw/zinc/25/83/67/569258367.db2.gz SZSWUKSUYDIXHW-OAQYLSRUSA-N 1 1 408.505 4.301 50 0 HIAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000089941688 569269233 /nfs/dbraw/zinc/26/92/33/569269233.db2.gz MREOAUORECHLJK-IAGOWNOFSA-N 1 1 422.451 4.121 50 0 HIAAMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1nnc(-c2ccccc2C(F)(F)F)o1 ZINC000089941688 569269234 /nfs/dbraw/zinc/26/92/34/569269234.db2.gz MREOAUORECHLJK-IAGOWNOFSA-N 1 1 422.451 4.121 50 0 HIAAMO CCc1cc2c(C[N@H+]3CCC[C@H]3c3ccc(OC)cc3OC)cc(=O)oc2cc1O ZINC000007740740 569305373 /nfs/dbraw/zinc/30/53/73/569305373.db2.gz DKNRVOMHAULXAT-FQEVSTJZSA-N 1 1 409.482 4.415 50 0 HIAAMO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000002228021 569317242 /nfs/dbraw/zinc/31/72/42/569317242.db2.gz RIWZWNNZZNWPRH-INIZCTEOSA-N 1 1 412.902 4.422 50 0 HIAAMO CCSc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011818670 569363697 /nfs/dbraw/zinc/36/36/97/569363697.db2.gz DMMSQXQYGREHOE-JOCHJYFZSA-N 1 1 418.557 4.355 50 0 HIAAMO CCSc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011818670 569363698 /nfs/dbraw/zinc/36/36/98/569363698.db2.gz DMMSQXQYGREHOE-JOCHJYFZSA-N 1 1 418.557 4.355 50 0 HIAAMO CCSc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(Cc2ccc(F)c(F)c2)C3)cn1 ZINC000011818670 569363700 /nfs/dbraw/zinc/36/37/00/569363700.db2.gz DMMSQXQYGREHOE-JOCHJYFZSA-N 1 1 418.557 4.355 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000079188936 569429096 /nfs/dbraw/zinc/42/90/96/569429096.db2.gz BHMOXQYQUVWOPC-JTHBVZDNSA-N 1 1 416.521 4.454 50 0 HIAAMO COc1ccc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)cc1Cn1cccn1 ZINC000019791240 569429862 /nfs/dbraw/zinc/42/98/62/569429862.db2.gz FHZOYSNBQPKFCS-HSZRJFAPSA-N 1 1 422.548 4.176 50 0 HIAAMO C[C@H]([NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000040071804 571152302 /nfs/dbraw/zinc/15/23/02/571152302.db2.gz NKATUSYISKLVCN-MBSDFSHPSA-N 1 1 405.542 4.440 50 0 HIAAMO CSc1ncc(Cl)c(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)n1 ZINC000040107152 571167514 /nfs/dbraw/zinc/16/75/14/571167514.db2.gz YSLWDSDPKQMQIK-AWEZNQCLSA-N 1 1 404.967 4.156 50 0 HIAAMO O=C(Cc1noc2ccccc12)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000040107180 571167613 /nfs/dbraw/zinc/16/76/13/571167613.db2.gz KCQCSTUPQQYZQO-OAQYLSRUSA-N 1 1 417.534 4.348 50 0 HIAAMO O=C(Cc1noc2ccccc12)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000040107180 571167616 /nfs/dbraw/zinc/16/76/16/571167616.db2.gz KCQCSTUPQQYZQO-OAQYLSRUSA-N 1 1 417.534 4.348 50 0 HIAAMO CCC(CC)[N@H+](CC(=O)N[C@H](C)c1ccccc1)CC(=O)N[C@@H](C)c1ccccc1 ZINC000009388357 571254363 /nfs/dbraw/zinc/25/43/63/571254363.db2.gz WMZURDDGWZNIEH-BGYRXZFFSA-N 1 1 409.574 4.232 50 0 HIAAMO CCC(CC)[N@@H+](CC(=O)N[C@H](C)c1ccccc1)CC(=O)N[C@@H](C)c1ccccc1 ZINC000009388357 571254364 /nfs/dbraw/zinc/25/43/64/571254364.db2.gz WMZURDDGWZNIEH-BGYRXZFFSA-N 1 1 409.574 4.232 50 0 HIAAMO Cc1ccc(S(=O)(=O)N2CC3(C2)C[NH+](C(c2ccccc2)c2ccccc2)C3)cc1 ZINC000070697743 571273656 /nfs/dbraw/zinc/27/36/56/571273656.db2.gz KRTVMFOVNHULKI-UHFFFAOYSA-N 1 1 418.562 4.091 50 0 HIAAMO CCOC(=O)N1CCC([NH2+][C@H](c2nnc(-c3ccccc3)o2)c2ccc(F)cc2)CC1 ZINC000009645451 571276149 /nfs/dbraw/zinc/27/61/49/571276149.db2.gz VJUIRWMEVDLZKI-FQEVSTJZSA-N 1 1 424.476 4.176 50 0 HIAAMO COc1cc(NC(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)cc(OC)c1OC ZINC000010140019 571295441 /nfs/dbraw/zinc/29/54/41/571295441.db2.gz LKIHJNMHPKSZKN-UHFFFAOYSA-N 1 1 423.513 4.012 50 0 HIAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000011878746 845839253 /nfs/dbraw/zinc/83/92/53/845839253.db2.gz WXRLPFAPASVWSO-HNNXBMFYSA-N 1 1 400.935 4.438 50 0 HIAAMO COc1cccc(N2C[C@@H]3C[C@@H](c4cn(C)c5ccccc45)[N@H+]4CCC[C@@]34C2=O)c1 ZINC000012307913 845867007 /nfs/dbraw/zinc/86/70/07/845867007.db2.gz IKDIKWUWXCQIME-XPEQFSOGSA-N 1 1 401.510 4.129 50 0 HIAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000012449471 845871294 /nfs/dbraw/zinc/87/12/94/845871294.db2.gz NKWHYJLVQMDWEO-YVWYTEFXSA-N 1 1 421.585 4.297 50 0 HIAAMO 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PTPCKBINVHXRKO-LRRQVMFVSA-N 1 1 413.587 4.331 50 0 HIAAMO COc1ccc(C[N@@H+]2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)cc1 ZINC000299764428 854280865 /nfs/dbraw/zinc/28/08/65/854280865.db2.gz STRKHMJMRZKEMP-AREMUKBSSA-N 1 1 419.521 4.376 50 0 HIAAMO COc1ccc(C[N@H+]2CCOc3ccc([C@](C)(O)COc4ccccc4)cc3C2)cc1 ZINC000299764428 854280873 /nfs/dbraw/zinc/28/08/73/854280873.db2.gz STRKHMJMRZKEMP-AREMUKBSSA-N 1 1 419.521 4.376 50 0 HIAAMO CCn1cc(C[N@H+]2CC[C@H](Oc3ccccc3-c3nc(-c4ccccc4)no3)C2)cn1 ZINC000575314638 948642673 /nfs/dbraw/zinc/64/26/73/948642673.db2.gz PBKCOZHDFGCSIQ-FQEVSTJZSA-N 1 1 415.497 4.273 50 0 HIAAMO Fc1ccc(C[N@H+]2CCC[C@H](c3nc(CCOCc4ccccc4)no3)C2)cc1F ZINC000575317028 948644940 /nfs/dbraw/zinc/64/49/40/948644940.db2.gz OMFAIBGZTKZADR-IBGZPJMESA-N 1 1 413.468 4.487 50 0 HIAAMO O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccccc1C(=O)c1ccccc1 ZINC000012522634 132361686 /nfs/dbraw/zinc/36/16/86/132361686.db2.gz WHFVBSVFLVTPDD-UHFFFAOYSA-N 1 1 413.521 4.068 50 0 HIAAMO CCC[N@H+](Cc1c(-c2ccccc2)noc1N(CC)CC)C[C@@H](O)COCC(C)C ZINC000036246073 521678412 /nfs/dbraw/zinc/67/84/12/521678412.db2.gz BOBRIFFJDGOPAV-OAQYLSRUSA-N 1 1 417.594 4.433 50 0 HIAAMO CC[C@H](C(=O)Nc1ccccc1)[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000032851042 523804048 /nfs/dbraw/zinc/80/40/48/523804048.db2.gz RGNTYRQXUYRHHK-GOSISDBHSA-N 1 1 406.452 4.030 50 0 HIAAMO COc1ccccc1OCC(=O)NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1 ZINC000022766127 524661409 /nfs/dbraw/zinc/66/14/09/524661409.db2.gz VGSDFDYKCOSFHV-OAQYLSRUSA-N 1 1 422.550 4.051 50 0 HIAAMO COc1ccccc1OCC(=O)NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1 ZINC000022766127 524661420 /nfs/dbraw/zinc/66/14/20/524661420.db2.gz VGSDFDYKCOSFHV-OAQYLSRUSA-N 1 1 422.550 4.051 50 0 HIAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccccc3)C2)cc1OC ZINC000020587018 524705193 /nfs/dbraw/zinc/70/51/93/524705193.db2.gz MHSWJRHOZNSLLL-OAQYLSRUSA-N 1 1 406.530 4.181 50 0 HIAAMO C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1=O ZINC000032894179 525614678 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1 1 414.908 4.194 50 0 HIAAMO O[C@H](COc1ccc2ccccc2c1Cl)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019909056 558306231 /nfs/dbraw/zinc/30/62/31/558306231.db2.gz SQKLDQHVFICXLU-SFHVURJKSA-N 1 1 414.908 4.194 50 0 HIAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012026693 558310242 /nfs/dbraw/zinc/31/02/42/558310242.db2.gz CUIJSXBZGWYIIM-HNNXBMFYSA-N 1 1 416.934 4.308 50 0 HIAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)o1 ZINC000012026693 558310243 /nfs/dbraw/zinc/31/02/43/558310243.db2.gz CUIJSXBZGWYIIM-HNNXBMFYSA-N 1 1 416.934 4.308 50 0 HIAAMO c1nc(-c2ccccc2)sc1C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000012027731 558310386 /nfs/dbraw/zinc/31/03/86/558310386.db2.gz DECQJGNDNURWAF-UHFFFAOYSA-N 1 1 415.566 4.245 50 0 HIAAMO OC[C@@]1(Cc2ccccc2F)CCC[N@@H+](Cc2cnn(-c3ccccc3Cl)c2)C1 ZINC000012049142 558313611 /nfs/dbraw/zinc/31/36/11/558313611.db2.gz IXXKHDSUAUKKHZ-HSZRJFAPSA-N 1 1 413.924 4.482 50 0 HIAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000012072401 558317812 /nfs/dbraw/zinc/31/78/12/558317812.db2.gz XQXBNTOIWMAGEI-HSZRJFAPSA-N 1 1 419.949 4.183 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccc3C)C2)c(OC)c1 ZINC000012072963 558317945 /nfs/dbraw/zinc/31/79/45/558317945.db2.gz NNNBOCWGDSYFAX-FQEVSTJZSA-N 1 1 410.558 4.321 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccccc3C)C2)c(OC)c1 ZINC000012072965 558318224 /nfs/dbraw/zinc/31/82/24/558318224.db2.gz NNNBOCWGDSYFAX-HXUWFJFHSA-N 1 1 410.558 4.321 50 0 HIAAMO O=C(COc1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020065011 558330414 /nfs/dbraw/zinc/33/04/14/558330414.db2.gz FKDHNPYBEGCTPH-UHFFFAOYSA-N 1 1 404.485 4.138 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@@H](c3nnc(SCc4ccccc4)n3C)C2)c1 ZINC000020211785 558347700 /nfs/dbraw/zinc/34/77/00/558347700.db2.gz PIOYIDIPPJVFGP-HXUWFJFHSA-N 1 1 408.571 4.496 50 0 HIAAMO COc1cccc(-c2ccc(NC(=O)[C@@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)cc2)c1 ZINC000012203652 558351909 /nfs/dbraw/zinc/35/19/09/558351909.db2.gz WXBVOUWKWNJERR-OAQYLSRUSA-N 1 1 418.541 4.255 50 0 HIAAMO COc1ccc(F)c(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1 ZINC000012210716 558354039 /nfs/dbraw/zinc/35/40/39/558354039.db2.gz DXOCBBROBWYQLZ-UHFFFAOYSA-N 1 1 412.505 4.114 50 0 HIAAMO Cc1ccc(C)c(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccc(F)cc2)c1 ZINC000020357207 558357561 /nfs/dbraw/zinc/35/75/61/558357561.db2.gz QITGITHXRIQQLG-UHFFFAOYSA-N 1 1 415.578 4.364 50 0 HIAAMO FC(F)(F)c1cccc(Cc2noc(C[N@@H+]3CCCC[C@H]3CCn3ccnc3)n2)c1 ZINC000020449939 558365152 /nfs/dbraw/zinc/36/51/52/558365152.db2.gz XAOXPBRLOLMKSU-SFHVURJKSA-N 1 1 419.451 4.321 50 0 HIAAMO FC(F)(F)c1cccc(Cc2noc(C[N@H+]3CCCC[C@H]3CCn3ccnc3)n2)c1 ZINC000020449939 558365154 /nfs/dbraw/zinc/36/51/54/558365154.db2.gz XAOXPBRLOLMKSU-SFHVURJKSA-N 1 1 419.451 4.321 50 0 HIAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000012437537 558409317 /nfs/dbraw/zinc/40/93/17/558409317.db2.gz SZUBPVXREJAAFS-IBGZPJMESA-N 1 1 400.563 4.500 50 0 HIAAMO OCC[C@H]1CN(Cc2cnc(-c3ccccc3)s2)CC[N@H+]1CCCc1ccccc1 ZINC000020781172 558412762 /nfs/dbraw/zinc/41/27/62/558412762.db2.gz PDGPPRFMZDCKQP-QHCPKHFHSA-N 1 1 421.610 4.312 50 0 HIAAMO C[N@@H+](Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000012457044 558417470 /nfs/dbraw/zinc/41/74/70/558417470.db2.gz YPRCELHCKQBTDG-MRXNPFEDSA-N 1 1 406.983 4.183 50 0 HIAAMO C[N@H+](Cc1nnc(SCCCO)n1-c1cccc(Cl)c1)C[C@@H]1CC=CCC1 ZINC000012457044 558417472 /nfs/dbraw/zinc/41/74/72/558417472.db2.gz YPRCELHCKQBTDG-MRXNPFEDSA-N 1 1 406.983 4.183 50 0 HIAAMO CC(C)n1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)cn1 ZINC000012586528 558434204 /nfs/dbraw/zinc/43/42/04/558434204.db2.gz IDQSBAHMYUZLJS-IBGZPJMESA-N 1 1 402.970 4.144 50 0 HIAAMO CN(C)c1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1 ZINC000012596149 558437679 /nfs/dbraw/zinc/43/76/79/558437679.db2.gz CASJSJBKUUPHPJ-KRWDZBQOSA-N 1 1 410.543 4.320 50 0 HIAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@H+]2CCC[C@H](C(N)=O)C2)c(C)s1 ZINC000012596705 558437968 /nfs/dbraw/zinc/43/79/68/558437968.db2.gz NDXSFRJWHHXSJV-INIZCTEOSA-N 1 1 412.534 4.054 50 0 HIAAMO CC(=O)N1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3F)nc2-c2ccccc2C)CC1 ZINC000012705484 558449845 /nfs/dbraw/zinc/44/98/45/558449845.db2.gz JHUMIFRSFZNTJR-UHFFFAOYSA-N 1 1 424.495 4.180 50 0 HIAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000012710488 558452249 /nfs/dbraw/zinc/45/22/49/558452249.db2.gz FAQOKGTXTODEAO-VWLOTQADSA-N 1 1 408.542 4.341 50 0 HIAAMO COc1ccc(C[NH+]2CCC(Oc3ccccc3C(=O)N3CCCC3)CC2)c(F)c1 ZINC000012753355 558459474 /nfs/dbraw/zinc/45/94/74/558459474.db2.gz VWLOZKJJITUHSD-UHFFFAOYSA-N 1 1 412.505 4.114 50 0 HIAAMO Cc1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022216028 558466715 /nfs/dbraw/zinc/46/67/15/558466715.db2.gz PXWNLFHYMAEYQS-UHFFFAOYSA-N 1 1 400.522 4.308 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3csc(C(C)=O)c3)C2)cc1 ZINC000012835407 558478136 /nfs/dbraw/zinc/47/81/36/558478136.db2.gz HOYLVKNZWUGEJS-HXUWFJFHSA-N 1 1 400.588 4.346 50 0 HIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000012990170 558496531 /nfs/dbraw/zinc/49/65/31/558496531.db2.gz RKTRWSHOUOZUDD-UHFFFAOYSA-N 1 1 412.361 4.047 50 0 HIAAMO C[N@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012995241 558498381 /nfs/dbraw/zinc/49/83/81/558498381.db2.gz KYMJTMNXDSRRAI-UHFFFAOYSA-N 1 1 413.827 4.258 50 0 HIAAMO C[N@@H+](CCC(=O)Nc1ccccc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000012995241 558498384 /nfs/dbraw/zinc/49/83/84/558498384.db2.gz KYMJTMNXDSRRAI-UHFFFAOYSA-N 1 1 413.827 4.258 50 0 HIAAMO CSc1ccccc1NC(=O)CC[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000022930493 558524244 /nfs/dbraw/zinc/52/42/44/558524244.db2.gz QEVCFGOUMCRXQN-UHFFFAOYSA-N 1 1 410.008 4.270 50 0 HIAAMO Cc1ccc2nc(-c3ccc(NC(=O)C[NH+]4CCC5(CC4)OCCO5)cc3)sc2c1 ZINC000014193241 558632899 /nfs/dbraw/zinc/63/28/99/558632899.db2.gz CQONCFXGOKPAML-UHFFFAOYSA-N 1 1 423.538 4.049 50 0 HIAAMO CC(C)CNC(=O)[C@@H]1C[C@H](C[NH+]2CCCC2)CN(Cc2ccc3ccccc3c2)C1 ZINC000014532858 558656881 /nfs/dbraw/zinc/65/68/81/558656881.db2.gz CRSBZXGORLZHEH-RCZVLFRGSA-N 1 1 407.602 4.146 50 0 HIAAMO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014532858 558656884 /nfs/dbraw/zinc/65/68/84/558656884.db2.gz CRSBZXGORLZHEH-RCZVLFRGSA-N 1 1 407.602 4.146 50 0 HIAAMO CC(C)CNC(=O)[C@@H]1C[C@H](CN2CCCC2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014532858 558656887 /nfs/dbraw/zinc/65/68/87/558656887.db2.gz CRSBZXGORLZHEH-RCZVLFRGSA-N 1 1 407.602 4.146 50 0 HIAAMO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](C/C(Cl)=C/c3ccccc3)CC2)C1=O ZINC000014541220 558660227 /nfs/dbraw/zinc/66/02/27/558660227.db2.gz LVYCKPPFHABSMV-SILNSSARSA-N 1 1 417.981 4.431 50 0 HIAAMO CN1CCCN(C(=O)[C@H]2CC23CC[NH+](Cc2ccc(-c4ccccc4)cc2)CC3)CC1 ZINC000014878910 558675453 /nfs/dbraw/zinc/67/54/53/558675453.db2.gz PWBZSIFTUWCORU-RUZDIDTESA-N 1 1 417.597 4.120 50 0 HIAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000014949618 558680735 /nfs/dbraw/zinc/68/07/35/558680735.db2.gz FEBOEAKWPRTPOK-IBGZPJMESA-N 1 1 417.465 4.093 50 0 HIAAMO COc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)c1OC ZINC000014977632 558689716 /nfs/dbraw/zinc/68/97/16/558689716.db2.gz FKLZDSCGQSNOKH-DQYQWZCESA-N 1 1 408.542 4.249 50 0 HIAAMO Cc1nnsc1C(=O)N1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4s3)CC[C@@H]21 ZINC000014993604 558695288 /nfs/dbraw/zinc/69/52/88/558695288.db2.gz MSUYNKRDNLFTNS-AEFFLSMTSA-N 1 1 412.584 4.188 50 0 HIAAMO COC(=O)c1sc2nc(C[N@@H+](C)CC(C)C)ccc2c1NC(=O)c1ccco1 ZINC000014998042 558696576 /nfs/dbraw/zinc/69/65/76/558696576.db2.gz BIGHPWNDTCIOFX-UHFFFAOYSA-N 1 1 401.488 4.016 50 0 HIAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC000015292833 558730837 /nfs/dbraw/zinc/73/08/37/558730837.db2.gz FCSALVDEGRQPMR-IBGZPJMESA-N 1 1 413.521 4.472 50 0 HIAAMO C[C@H]1CC(=O)Nc2ccccc2N1C(=O)C[N@@H+](C)C(c1ccccc1)c1ccccc1 ZINC000015292833 558730839 /nfs/dbraw/zinc/73/08/39/558730839.db2.gz FCSALVDEGRQPMR-IBGZPJMESA-N 1 1 413.521 4.472 50 0 HIAAMO Cc1cccc(OCC(=O)N(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000072304627 558757271 /nfs/dbraw/zinc/75/72/71/558757271.db2.gz YFNNSMIYHZKLCP-HXUWFJFHSA-N 1 1 420.475 4.287 50 0 HIAAMO O=C(C[NH+]1CCCCC1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000016442317 558791494 /nfs/dbraw/zinc/79/14/94/558791494.db2.gz VHLHZOUGTATDRJ-UHFFFAOYSA-N 1 1 405.420 4.382 50 0 HIAAMO COC(=O)Cn1cc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)no2)c2cc(OC)ccc21 ZINC000035453896 558792167 /nfs/dbraw/zinc/79/21/67/558792167.db2.gz KPNJWNKSQUDILC-NRFANRHFSA-N 1 1 411.502 4.271 50 0 HIAAMO COc1ccc([C@H](C)[NH2+][C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1Br ZINC000016695028 558800854 /nfs/dbraw/zinc/80/08/54/558800854.db2.gz QOZBFYCDIITBEO-RYUDHWBXSA-N 1 1 402.292 4.106 50 0 HIAAMO Cc1c(CN2CC[N@H+](Cc3ccsc3)[C@H](CCO)C2)[nH]c2c1cccc2Cl ZINC000039394734 558820879 /nfs/dbraw/zinc/82/08/79/558820879.db2.gz RHWSHJHHSLRDFA-QGZVFWFLSA-N 1 1 403.979 4.260 50 0 HIAAMO Cc1c(CN2CC[N@@H+](Cc3ccsc3)[C@H](CCO)C2)[nH]c2c1cccc2Cl ZINC000039394734 558820880 /nfs/dbraw/zinc/82/08/80/558820880.db2.gz RHWSHJHHSLRDFA-QGZVFWFLSA-N 1 1 403.979 4.260 50 0 HIAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N[C@@H]2CCc3ccccc32)nc1 ZINC000067981639 558862503 /nfs/dbraw/zinc/86/25/03/558862503.db2.gz KLMZIOIMGZMVMG-OAQYLSRUSA-N 1 1 403.530 4.321 50 0 HIAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccc(C(C)=O)c4)C3)C2)c1OC ZINC000055099908 558872319 /nfs/dbraw/zinc/87/23/19/558872319.db2.gz CLJRQVBTJWFKTC-AREMUKBSSA-N 1 1 422.569 4.395 50 0 HIAAMO CCOc1ccc(CN(CCOC)C[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000055100069 558872395 /nfs/dbraw/zinc/87/23/95/558872395.db2.gz DLGBYQUVPKNUON-QHCPKHFHSA-N 1 1 422.613 4.413 50 0 HIAAMO CC[N@@H+](Cc1cccc2nonc21)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055153794 558874464 /nfs/dbraw/zinc/87/44/64/558874464.db2.gz ZLZYEVMFYCNVGF-HXUWFJFHSA-N 1 1 408.546 4.008 50 0 HIAAMO CC[N@H+](Cc1cccc2nonc21)C[C@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055153794 558874465 /nfs/dbraw/zinc/87/44/65/558874465.db2.gz ZLZYEVMFYCNVGF-HXUWFJFHSA-N 1 1 408.546 4.008 50 0 HIAAMO Cc1ccccc1N1CC[NH+]([C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)CC1 ZINC000055168865 558874957 /nfs/dbraw/zinc/87/49/57/558874957.db2.gz WKPFWSLKLZLJCM-QGZVFWFLSA-N 1 1 403.979 4.137 50 0 HIAAMO O=C(Cc1ccccc1)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000055545139 558882142 /nfs/dbraw/zinc/88/21/42/558882142.db2.gz FMGNKAOHCVYPPU-UHFFFAOYSA-N 1 1 403.501 4.329 50 0 HIAAMO C[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)cc1Cl ZINC000058137852 558901299 /nfs/dbraw/zinc/90/12/99/558901299.db2.gz ZFUAYPMXWBUEAW-LBPRGKRZSA-N 1 1 406.313 4.175 50 0 HIAAMO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000058160778 558905356 /nfs/dbraw/zinc/90/53/56/558905356.db2.gz FTKVHWNPDYUODF-RDGATRHJSA-N 1 1 421.541 4.427 50 0 HIAAMO CC[C@@]1(c2ccccc2)NC(=O)N(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)C1=O ZINC000058160778 558905359 /nfs/dbraw/zinc/90/53/59/558905359.db2.gz FTKVHWNPDYUODF-RDGATRHJSA-N 1 1 421.541 4.427 50 0 HIAAMO COc1ccc([C@H](C)NC(=O)[C@@]2(C(F)(F)F)CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000058434992 558927181 /nfs/dbraw/zinc/92/71/81/558927181.db2.gz PLDMDBHJGXCTHW-YCRPNKLZSA-N 1 1 424.438 4.466 50 0 HIAAMO Cc1cccc(C[N@H+]2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 ZINC000019606882 558946641 /nfs/dbraw/zinc/94/66/41/558946641.db2.gz BMQMRVBRFHXKMC-QFIPXVFZSA-N 1 1 418.507 4.195 50 0 HIAAMO Cc1cccc(CN2CCC[C@H]([NH+]3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1 ZINC000019606882 558946642 /nfs/dbraw/zinc/94/66/42/558946642.db2.gz BMQMRVBRFHXKMC-QFIPXVFZSA-N 1 1 418.507 4.195 50 0 HIAAMO CSc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1 ZINC000061969825 558947628 /nfs/dbraw/zinc/94/76/28/558947628.db2.gz NALLEZXLFGHVOL-SFHVURJKSA-N 1 1 408.527 4.309 50 0 HIAAMO CSc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)cn1 ZINC000061969825 558947629 /nfs/dbraw/zinc/94/76/29/558947629.db2.gz NALLEZXLFGHVOL-SFHVURJKSA-N 1 1 408.527 4.309 50 0 HIAAMO C[N@@H+](CCCNC(=O)c1sc2ncccc2c1-n1cccc1)Cc1ccccc1 ZINC000033059846 558954046 /nfs/dbraw/zinc/95/40/46/558954046.db2.gz ATGFDLKLJXQTGG-UHFFFAOYSA-N 1 1 404.539 4.339 50 0 HIAAMO CCn1ncc(C[N@H+]2CCCC23CCN(c2ccc(C(F)(F)F)cn2)CC3)c1C ZINC000072408762 558977440 /nfs/dbraw/zinc/97/74/40/558977440.db2.gz LWNOAYCOTSGDIR-UHFFFAOYSA-N 1 1 407.484 4.260 50 0 HIAAMO CC(C)Nc1ncc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)cn1 ZINC000065463325 558977942 /nfs/dbraw/zinc/97/79/42/558977942.db2.gz FMMCAVCXCCTFFK-HXUWFJFHSA-N 1 1 417.513 4.077 50 0 HIAAMO Cc1c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)[nH]c2c1C(=O)CCC2 ZINC000065576167 558979585 /nfs/dbraw/zinc/97/95/85/558979585.db2.gz PNZHAWYWOLWYAC-LEWJYISDSA-N 1 1 405.542 4.111 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC[C@@H](CO)C2)cc1OC ZINC000072463792 558983364 /nfs/dbraw/zinc/98/33/64/558983364.db2.gz CYQIDQYKDHZTMC-GOSISDBHSA-N 1 1 406.526 4.432 50 0 HIAAMO COc1cccc(-c2nc3cc(OC)c(OC)cc3cc2C[N@H+]2CCCOCC2)c1 ZINC000072480173 558983988 /nfs/dbraw/zinc/98/39/88/558983988.db2.gz ZQCBDDWKERLLLT-UHFFFAOYSA-N 1 1 408.498 4.150 50 0 HIAAMO C[NH+]1CCN(c2nc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3s2)CC1 ZINC000023135830 559018708 /nfs/dbraw/zinc/01/87/08/559018708.db2.gz MRUAORKGZPETAG-UHFFFAOYSA-N 1 1 420.460 4.319 50 0 HIAAMO Cc1cc(C[N@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)on1 ZINC000095502635 559082585 /nfs/dbraw/zinc/08/25/85/559082585.db2.gz HBHAXFXWADODLQ-OAQYLSRUSA-N 1 1 401.526 4.015 50 0 HIAAMO Cc1cc(C[N@@H+](C[C@H]2CCCO2)CC2CCN(Cc3ccccc3F)CC2)on1 ZINC000095502635 559082587 /nfs/dbraw/zinc/08/25/87/559082587.db2.gz HBHAXFXWADODLQ-OAQYLSRUSA-N 1 1 401.526 4.015 50 0 HIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](CCc3ccccn3)C2)cc1Cl ZINC000095527802 559086205 /nfs/dbraw/zinc/08/62/05/559086205.db2.gz SYPFMRMEMWROQT-QGZVFWFLSA-N 1 1 401.938 4.417 50 0 HIAAMO O=C(c1cccnc1Cl)N1CC[NH+](C2c3ccccc3CCc3ccccc32)CC1 ZINC000023335073 559172810 /nfs/dbraw/zinc/17/28/10/559172810.db2.gz JOTXNUDJKBFRQX-UHFFFAOYSA-N 1 1 417.940 4.381 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C ZINC000005057549 559237943 /nfs/dbraw/zinc/23/79/43/559237943.db2.gz IYMNYAHVBPYLNV-QGZVFWFLSA-N 1 1 419.616 4.206 50 0 HIAAMO CC(C)[N@@H+](CCCNC(=O)Cn1cccc1C(=O)c1ccccc1)Cc1ccccc1 ZINC000005142580 559251901 /nfs/dbraw/zinc/25/19/01/559251901.db2.gz GLNFSLOSMISYOZ-UHFFFAOYSA-N 1 1 417.553 4.136 50 0 HIAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000248165948 559266906 /nfs/dbraw/zinc/26/69/06/559266906.db2.gz OJKTZAAQZHTZBC-SQJMNOBHSA-N 1 1 424.541 4.117 50 0 HIAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)C(C)C)cc1 ZINC000248165948 559266907 /nfs/dbraw/zinc/26/69/07/559266907.db2.gz OJKTZAAQZHTZBC-SQJMNOBHSA-N 1 1 424.541 4.117 50 0 HIAAMO COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)c2ccccc2)cc1 ZINC000248163614 559267085 /nfs/dbraw/zinc/26/70/85/559267085.db2.gz YVZHOMLUCULGMP-UKILVPOCSA-N 1 1 403.526 4.076 50 0 HIAAMO COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H]2c2cccn2C)c2ccccc2)cc1 ZINC000248163614 559267087 /nfs/dbraw/zinc/26/70/87/559267087.db2.gz YVZHOMLUCULGMP-UKILVPOCSA-N 1 1 403.526 4.076 50 0 HIAAMO Cc1cc2nc(N3CCC[N@@H+](Cc4ccc5c(c4)OCCO5)CC3)nc(C)c2cc1C ZINC000012037787 560887173 /nfs/dbraw/zinc/88/71/73/560887173.db2.gz RENXPNPNISLTBY-UHFFFAOYSA-N 1 1 418.541 4.039 50 0 HIAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000108096265 560897920 /nfs/dbraw/zinc/89/79/20/560897920.db2.gz XVCGPRDEXSZEKB-OXJNMPFZSA-N 1 1 406.448 4.111 50 0 HIAAMO CCCc1nn2c(nc(C[N@H+](Cc3ccc(Cl)cc3)CC(C)C)cc2=O)s1 ZINC000046032264 568424694 /nfs/dbraw/zinc/42/46/94/568424694.db2.gz XOQVIVBLMAGOGV-UHFFFAOYSA-N 1 1 404.967 4.415 50 0 HIAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000048237338 568433095 /nfs/dbraw/zinc/43/30/95/568433095.db2.gz FAIYCZNUXDXWTM-INIZCTEOSA-N 1 1 416.591 4.221 50 0 HIAAMO C[N@@H+](Cc1ccccc1NC(=O)N1CCN(Cc2ccncc2)CC1)C1CCCCC1 ZINC000048324590 568438457 /nfs/dbraw/zinc/43/84/57/568438457.db2.gz BMJLKTSMWNUUPA-UHFFFAOYSA-N 1 1 421.589 4.196 50 0 HIAAMO O=c1nc(N2CC[NH+](C3CCCCC3)CC2)[nH]c2c(-c3cccc(F)c3)csc21 ZINC000049421031 568450376 /nfs/dbraw/zinc/45/03/76/568450376.db2.gz ZVXJEFNBQJHCPR-UHFFFAOYSA-N 1 1 412.534 4.245 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(OC)c1O ZINC000014972162 568498066 /nfs/dbraw/zinc/49/80/66/568498066.db2.gz RLGSNPOCFKNPIH-IBGZPJMESA-N 1 1 413.514 4.292 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC(C)C)c3)C2)cc(OC)c1O ZINC000014972162 568498067 /nfs/dbraw/zinc/49/80/67/568498067.db2.gz RLGSNPOCFKNPIH-IBGZPJMESA-N 1 1 413.514 4.292 50 0 HIAAMO O=C(c1cc2ccccc2c(=O)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020038303 568586720 /nfs/dbraw/zinc/58/67/20/568586720.db2.gz VJEZGKRICAHYPS-UHFFFAOYSA-N 1 1 424.500 4.340 50 0 HIAAMO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc4c5c(cccc51)CC4)[N@H+](C)CC3)OCO2 ZINC000020111689 568588790 /nfs/dbraw/zinc/58/87/90/568588790.db2.gz NOEKIANUHKEWDD-HXUWFJFHSA-N 1 1 415.489 4.478 50 0 HIAAMO COc1c2c(cc3c1[C@@H](CC(=O)c1ccc4c5c(cccc51)CC4)[N@@H+](C)CC3)OCO2 ZINC000020111689 568588792 /nfs/dbraw/zinc/58/87/92/568588792.db2.gz NOEKIANUHKEWDD-HXUWFJFHSA-N 1 1 415.489 4.478 50 0 HIAAMO CCOC(=O)Nc1ccc(C(=O)Nc2nc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cs2)cc1 ZINC000040034532 568608403 /nfs/dbraw/zinc/60/84/03/568608403.db2.gz YYRPCKIQVZZSGL-HUUCEWRRSA-N 1 1 416.547 4.442 50 0 HIAAMO Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(CCN(C)C(=O)OC(C)(C)C)CC2)sc1C ZINC000095455731 568617026 /nfs/dbraw/zinc/61/70/26/568617026.db2.gz OTSGGFIYHRKCIP-OAHLLOKOSA-N 1 1 424.611 4.056 50 0 HIAAMO COc1cc(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)ccc1OCc1c(C)noc1C ZINC000095940886 568661835 /nfs/dbraw/zinc/66/18/35/568661835.db2.gz QRKDUDBBDFMNKT-UHFFFAOYSA-N 1 1 410.518 4.290 50 0 HIAAMO CC(C)([C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)c1ccc(F)c(F)c1)N1CCCC1 ZINC000096012771 568685139 /nfs/dbraw/zinc/68/51/39/568685139.db2.gz NAEHHSVVIPWUPM-NRFANRHFSA-N 1 1 423.454 4.387 50 0 HIAAMO CCc1c(C(=O)N2CC[NH+](CC)CC2)c(CC(C)C)nn1-c1ccc(Cl)cc1 ZINC000096299841 568723107 /nfs/dbraw/zinc/72/31/07/568723107.db2.gz MSGTWHJNCPGBEK-UHFFFAOYSA-N 1 1 402.970 4.064 50 0 HIAAMO OCC[NH2+]CCCNCc1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000247750784 568745720 /nfs/dbraw/zinc/74/57/20/568745720.db2.gz VLRFTXKROWKXNP-UHFFFAOYSA-N 1 1 406.357 4.058 50 0 HIAAMO CC(C)n1c(C[N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)nc2ccccc21 ZINC000248164449 568748011 /nfs/dbraw/zinc/74/80/11/568748011.db2.gz NLKZLGHGTFAOQX-OAQYLSRUSA-N 1 1 404.558 4.188 50 0 HIAAMO CCCCNC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1 ZINC000248219639 568748218 /nfs/dbraw/zinc/74/82/18/568748218.db2.gz HKJPFASCRVHWRT-UHFFFAOYSA-N 1 1 408.521 4.293 50 0 HIAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)NCCc3ccc(Cl)cc3)C2)nc2ccccc21 ZINC000249682299 568748594 /nfs/dbraw/zinc/74/85/94/568748594.db2.gz CCKUIQRVVWNNKM-IBGZPJMESA-N 1 1 424.976 4.281 50 0 HIAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)NCc3ccc(Cl)cc3)C2)nc2ccccc21 ZINC000249689681 568748644 /nfs/dbraw/zinc/74/86/44/568748644.db2.gz JOSPMZKSBSKDJR-GOSISDBHSA-N 1 1 410.949 4.238 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4cccc(C)c4)CC3)nc(C)[nH+]2)cc1 ZINC000021793903 568753227 /nfs/dbraw/zinc/75/32/27/568753227.db2.gz GKHLFVPCRKVQJV-UHFFFAOYSA-N 1 1 401.514 4.108 50 0 HIAAMO Cc1ccc2nc(-c3ccccn3)cc(C(=O)NCC[N@H+](C)Cc3ccccc3)c2c1 ZINC000021934405 568762006 /nfs/dbraw/zinc/76/20/06/568762006.db2.gz LNDKKSRXRMOITD-UHFFFAOYSA-N 1 1 410.521 4.467 50 0 HIAAMO Cc1ccc([C@H]([NH2+]CC(=O)NCC(=O)Nc2c(C)cccc2C)c2ccccc2)cc1 ZINC000057296759 568826156 /nfs/dbraw/zinc/82/61/56/568826156.db2.gz UTEWUVAGHWBUHZ-AREMUKBSSA-N 1 1 415.537 4.046 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1 ZINC000003049143 568849833 /nfs/dbraw/zinc/84/98/33/568849833.db2.gz RNGNAUSXKRUDAO-LJQANCHMSA-N 1 1 411.571 4.319 50 0 HIAAMO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2[C@@H](C)c2nc3ccc(C)cc3[nH]2)c1 ZINC000299755870 568872611 /nfs/dbraw/zinc/87/26/11/568872611.db2.gz DTZVPNPOJCTEJM-PKOBYXMFSA-N 1 1 406.530 4.112 50 0 HIAAMO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2[C@H](C)c2nc3ccc(C)cc3[nH]2)c1 ZINC000299755867 568872659 /nfs/dbraw/zinc/87/26/59/568872659.db2.gz DTZVPNPOJCTEJM-MJGOQNOKSA-N 1 1 406.530 4.112 50 0 HIAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc2ccccc21 ZINC000058021473 568878118 /nfs/dbraw/zinc/87/81/18/568878118.db2.gz WAKACRUUSCNCEP-UHFFFAOYSA-N 1 1 408.933 4.437 50 0 HIAAMO COc1ccc2cc(C(=O)C[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@H+]3C)ccc2c1 ZINC000263585102 568878502 /nfs/dbraw/zinc/87/85/02/568878502.db2.gz FBQNZJRZQWETKV-HXUWFJFHSA-N 1 1 419.477 4.388 50 0 HIAAMO COc1ccc2cc(C(=O)C[C@@H]3c4c(cc5c(c4OC)OCO5)CC[N@@H+]3C)ccc2c1 ZINC000263585102 568878504 /nfs/dbraw/zinc/87/85/04/568878504.db2.gz FBQNZJRZQWETKV-HXUWFJFHSA-N 1 1 419.477 4.388 50 0 HIAAMO Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000003376660 568891273 /nfs/dbraw/zinc/89/12/73/568891273.db2.gz DAKMKRJZVHUEJJ-SFHVURJKSA-N 1 1 412.921 4.384 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)CC1 ZINC000058148864 568892379 /nfs/dbraw/zinc/89/23/79/568892379.db2.gz BCCXCPQCTDRORK-UHFFFAOYSA-N 1 1 408.933 4.030 50 0 HIAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000012732404 568922964 /nfs/dbraw/zinc/92/29/64/568922964.db2.gz CGNZXGMHYOPVAU-UHFFFAOYSA-N 1 1 406.555 4.415 50 0 HIAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000012759960 568944058 /nfs/dbraw/zinc/94/40/58/568944058.db2.gz SPCMYIQJQNQRHL-MRXNPFEDSA-N 1 1 413.880 4.447 50 0 HIAAMO C[N@@H+](Cc1nc(-c2ccsc2)no1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000084199946 568944437 /nfs/dbraw/zinc/94/44/37/568944437.db2.gz WUENZCWAWKXMJM-XYPWUTKMSA-N 1 1 404.536 4.160 50 0 HIAAMO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)CNC(=O)CC(C)(C)C ZINC000084740401 568957930 /nfs/dbraw/zinc/95/79/30/568957930.db2.gz BEJSHKRVKRKVNR-VCSGRIEYSA-N 1 1 407.643 4.209 50 0 HIAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccc(OC)cc3)ccc21 ZINC000015669140 568960721 /nfs/dbraw/zinc/96/07/21/568960721.db2.gz HHWTXTDXHPIMQF-UHFFFAOYSA-N 1 1 403.486 4.260 50 0 HIAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](CC)Cc2ccc(OC)c(F)c2)c1C ZINC000008188711 568980879 /nfs/dbraw/zinc/98/08/79/568980879.db2.gz ZDCGQEDPTHIMDD-HNNXBMFYSA-N 1 1 404.482 4.049 50 0 HIAAMO CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](CC)Cc2ccc(OC)c(F)c2)c1C ZINC000008188711 568980880 /nfs/dbraw/zinc/98/08/80/568980880.db2.gz ZDCGQEDPTHIMDD-HNNXBMFYSA-N 1 1 404.482 4.049 50 0 HIAAMO COc1cccc([C@H](c2nnnn2C(C)(C)C)[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000085427911 568987762 /nfs/dbraw/zinc/98/77/62/568987762.db2.gz UDCAGZWSDOWMAH-JOCHJYFZSA-N 1 1 405.546 4.406 50 0 HIAAMO C[C@@H](c1nccs1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000019939272 569008003 /nfs/dbraw/zinc/00/80/03/569008003.db2.gz OMPLDYHNBNZCLJ-ZFWWWQNUSA-N 1 1 421.950 4.099 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000013014522 569050788 /nfs/dbraw/zinc/05/07/88/569050788.db2.gz CEBJACYAZOJRIP-CYBMUJFWSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000013014522 569050789 /nfs/dbraw/zinc/05/07/89/569050789.db2.gz CEBJACYAZOJRIP-CYBMUJFWSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H]1c1cccs1 ZINC000240471694 569054635 /nfs/dbraw/zinc/05/46/35/569054635.db2.gz GDWYPEYBDHHGGV-MXKNLSCSSA-N 1 1 401.576 4.068 50 0 HIAAMO CC(=O)N(c1nc(CN2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cs1)C1CC1 ZINC000242263305 569055054 /nfs/dbraw/zinc/05/50/54/569055054.db2.gz XXWDKQGCKHEQTP-PKTZIBPZSA-N 1 1 424.614 4.287 50 0 HIAAMO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242302140 569055074 /nfs/dbraw/zinc/05/50/74/569055074.db2.gz YPVWNGYVHNXNSG-RDPSFJRHSA-N 1 1 412.505 4.247 50 0 HIAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000242302140 569055075 /nfs/dbraw/zinc/05/50/75/569055075.db2.gz YPVWNGYVHNXNSG-RDPSFJRHSA-N 1 1 412.505 4.247 50 0 HIAAMO O=c1cc(C[NH+]2CCN(c3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 ZINC000054105915 569057497 /nfs/dbraw/zinc/05/74/97/569057497.db2.gz LBLUAJDAIHVMDN-UHFFFAOYSA-N 1 1 412.489 4.488 50 0 HIAAMO CC[C@H](C)NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035871493 569064092 /nfs/dbraw/zinc/06/40/92/569064092.db2.gz MXXYEPYUERUDMJ-PAXLWEDBSA-N 1 1 423.523 4.226 50 0 HIAAMO CC[C@@H](C)[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095823 569090041 /nfs/dbraw/zinc/09/00/41/569090041.db2.gz INDFLJYLRAFLOD-APWZRJJASA-N 1 1 407.938 4.398 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)cc1OC ZINC000036096007 569090053 /nfs/dbraw/zinc/09/00/53/569090053.db2.gz RLNAVOMFYCYAKV-HSZRJFAPSA-N 1 1 409.501 4.449 50 0 HIAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)c1OC ZINC000036097277 569090244 /nfs/dbraw/zinc/09/02/44/569090244.db2.gz AWDYQYSRDZHKHL-JOCHJYFZSA-N 1 1 401.547 4.130 50 0 HIAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000036102563 569092155 /nfs/dbraw/zinc/09/21/55/569092155.db2.gz PLRGXONPWBMMOV-QHCPKHFHSA-N 1 1 423.484 4.134 50 0 HIAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104199 569092394 /nfs/dbraw/zinc/09/23/94/569092394.db2.gz KAMIPNHKLYLDRK-FQEVSTJZSA-N 1 1 405.416 4.277 50 0 HIAAMO O[C@H](COCc1ccco1)C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104199 569092395 /nfs/dbraw/zinc/09/23/95/569092395.db2.gz KAMIPNHKLYLDRK-FQEVSTJZSA-N 1 1 405.416 4.277 50 0 HIAAMO COc1ccc([C@H](CNC(=O)CCC(=O)c2ccc(Cl)s2)[NH+]2CCCC2)cc1 ZINC000006785351 569121734 /nfs/dbraw/zinc/12/17/34/569121734.db2.gz JSRKYIBHJBPVIJ-KRWDZBQOSA-N 1 1 420.962 4.326 50 0 HIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000169681302 569127394 /nfs/dbraw/zinc/12/73/94/569127394.db2.gz VUELXODBIVAGIH-ZEQRLZLVSA-N 1 1 410.558 4.386 50 0 HIAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1nn(C)c2c1CSc1ccccc1-2)Cc1ccco1 ZINC000006817723 569138694 /nfs/dbraw/zinc/13/86/94/569138694.db2.gz AJDYIALKZCPRRB-INIZCTEOSA-N 1 1 424.570 4.316 50 0 HIAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCCCC3)[C@@H](c3ccccc3C)C2)c(OC)c1 ZINC000036344926 569142527 /nfs/dbraw/zinc/14/25/27/569142527.db2.gz ZOXRXLBXOFONTK-HSZRJFAPSA-N 1 1 421.541 4.176 50 0 HIAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(C[S@](=O)c2ccc(Cl)cc2)o1 ZINC000006895575 569175373 /nfs/dbraw/zinc/17/53/73/569175373.db2.gz XSMBXBMIXDGQBO-HHHXNRCGSA-N 1 1 410.967 4.093 50 0 HIAAMO Cn1cc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c2ccccc21 ZINC000065330054 569225033 /nfs/dbraw/zinc/22/50/33/569225033.db2.gz UJYHZHYPNTXEQD-UHFFFAOYSA-N 1 1 400.885 4.321 50 0 HIAAMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)COc1ccc(C)cc1C ZINC000089614253 569261216 /nfs/dbraw/zinc/26/12/16/569261216.db2.gz JXTFXJWWCNBFAI-JOCHJYFZSA-N 1 1 418.541 4.273 50 0 HIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4c(F)cccc4F)CC3)n2)cc1 ZINC000017042564 569272370 /nfs/dbraw/zinc/27/23/70/569272370.db2.gz BFTOPSSJOTVAMB-UHFFFAOYSA-N 1 1 423.467 4.078 50 0 HIAAMO COC[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000252536374 569292843 /nfs/dbraw/zinc/29/28/43/569292843.db2.gz IHRBAUWKEGMRHW-UTKZUKDTSA-N 1 1 420.475 4.487 50 0 HIAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000007855913 569314803 /nfs/dbraw/zinc/31/48/03/569314803.db2.gz BBUHNXBYJPUEDZ-QFIPXVFZSA-N 1 1 409.555 4.466 50 0 HIAAMO COc1ccc(N(Cc2cccs2)C(=O)C[N@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000007855913 569314804 /nfs/dbraw/zinc/31/48/04/569314804.db2.gz BBUHNXBYJPUEDZ-QFIPXVFZSA-N 1 1 409.555 4.466 50 0 HIAAMO COc1ccc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc1OC ZINC000253398422 569365429 /nfs/dbraw/zinc/36/54/29/569365429.db2.gz CDPDJSWPHRTENH-AVJFOWIRSA-N 1 1 424.585 4.058 50 0 HIAAMO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)N1CCc2ccccc2C1 ZINC000253427891 569368488 /nfs/dbraw/zinc/36/84/88/569368488.db2.gz HCYNKYSRQPYSND-OAQYLSRUSA-N 1 1 408.933 4.328 50 0 HIAAMO O=C(CC[N@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)N1CCc2ccccc2C1 ZINC000253427891 569368490 /nfs/dbraw/zinc/36/84/90/569368490.db2.gz HCYNKYSRQPYSND-OAQYLSRUSA-N 1 1 408.933 4.328 50 0 HIAAMO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1)N1CCc2ccccc2C1 ZINC000253427891 569368491 /nfs/dbraw/zinc/36/84/91/569368491.db2.gz HCYNKYSRQPYSND-OAQYLSRUSA-N 1 1 408.933 4.328 50 0 HIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21 ZINC000013369568 569412610 /nfs/dbraw/zinc/41/26/10/569412610.db2.gz DHARCPCFKPYXJX-OAQYLSRUSA-N 1 1 404.558 4.474 50 0 HIAAMO C[N@@H+](CCCNC(=O)Cn1nc(-c2ccccc2)c2ccccc21)C1CCCCC1 ZINC000013369592 569412712 /nfs/dbraw/zinc/41/27/12/569412712.db2.gz QTIIFEHKJYSPMP-UHFFFAOYSA-N 1 1 404.558 4.474 50 0 HIAAMO Cc1ccccc1C1(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000089689215 571047792 /nfs/dbraw/zinc/04/77/92/571047792.db2.gz SCYBOAMVUQGKCM-VWNXMTODSA-N 1 1 420.597 4.460 50 0 HIAAMO COc1cccc(N2CC[NH+](C3CCN(Cc4cc5ccccc5o4)CC3)CC2)c1 ZINC000244933203 571210459 /nfs/dbraw/zinc/21/04/59/571210459.db2.gz CHDNJZIQNCELLU-UHFFFAOYSA-N 1 1 405.542 4.228 50 0 HIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000245258123 571221409 /nfs/dbraw/zinc/22/14/09/571221409.db2.gz KDFAJTJSIKTAOD-LADGPHEKSA-N 1 1 419.569 4.029 50 0 HIAAMO Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(c3nc4ccccc4s3)CC2)c(C)c1 ZINC000009512933 571264401 /nfs/dbraw/zinc/26/44/01/571264401.db2.gz AFBBZBRZMTVREX-UHFFFAOYSA-N 1 1 422.554 4.441 50 0 HIAAMO COC(=O)c1ccc(C[NH2+][C@H](C(=O)Nc2cc(C)ccc2OC)c2ccccc2)cc1 ZINC000009513752 571264495 /nfs/dbraw/zinc/26/44/95/571264495.db2.gz MZHKFXMDFZTZDH-QHCPKHFHSA-N 1 1 418.493 4.260 50 0 HIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000009549062 571268018 /nfs/dbraw/zinc/26/80/18/571268018.db2.gz JDAMYOSLTWLZTG-QHCPKHFHSA-N 1 1 421.541 4.378 50 0 HIAAMO CCc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(Cc4ccccc4)CC3)C2)o1 ZINC000011843863 845837781 /nfs/dbraw/zinc/83/77/81/845837781.db2.gz GWMHITXUWTZADL-HSZRJFAPSA-N 1 1 423.601 4.179 50 0 HIAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)ccc1F ZINC000012030651 845848399 /nfs/dbraw/zinc/84/83/99/845848399.db2.gz MPSCURSRGIJPGQ-SFHVURJKSA-N 1 1 415.509 4.165 50 0 HIAAMO COc1ccccc1CN1C[C@@H]2C[C@@H](c3cc4ccccc4o3)[N@H+]3CCC[C@@]23C1=O ZINC000012027136 845848629 /nfs/dbraw/zinc/84/86/29/845848629.db2.gz QYTRBHPJDRZGRD-RLSLOFABSA-N 1 1 402.494 4.379 50 0 HIAAMO COc1cc(-c2nc(C[N@H+]3CCCC[C@@H]3CCN3CCCC3=O)c(C)o2)ccc1F ZINC000012030647 845848674 /nfs/dbraw/zinc/84/86/74/845848674.db2.gz MPSCURSRGIJPGQ-GOSISDBHSA-N 1 1 415.509 4.165 50 0 HIAAMO COc1cc(C[N@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)ccc1F ZINC000012218220 845860738 /nfs/dbraw/zinc/86/07/38/845860738.db2.gz VMQHFIBILUUCMK-UHFFFAOYSA-N 1 1 410.411 4.088 50 0 HIAAMO COc1cc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C(F)(F)F)CC2)ccc1F ZINC000012218220 845860743 /nfs/dbraw/zinc/86/07/43/845860743.db2.gz VMQHFIBILUUCMK-UHFFFAOYSA-N 1 1 410.411 4.088 50 0 HIAAMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4cc[nH]n4)cc3)C2)cc(C)c1O ZINC000012432276 845869965 /nfs/dbraw/zinc/86/99/65/845869965.db2.gz FDCCUXRXFWKTEJ-FQEVSTJZSA-N 1 1 404.514 4.250 50 0 HIAAMO CSc1nc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cs1 ZINC000012470030 845873419 /nfs/dbraw/zinc/87/34/19/845873419.db2.gz ALCQSWQDSJAAJK-OAQYLSRUSA-N 1 1 401.601 4.036 50 0 HIAAMO CSc1nc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)cs1 ZINC000012470035 845873497 /nfs/dbraw/zinc/87/34/97/845873497.db2.gz ALCQSWQDSJAAJK-NRFANRHFSA-N 1 1 401.601 4.036 50 0 HIAAMO Cc1cc(C)c(C[N@@H+]2CCc3c(c(C(=O)N(C)C)nn3CCC(F)(F)F)C2)cc1C ZINC000014732661 845975623 /nfs/dbraw/zinc/97/56/23/845975623.db2.gz LGIGNSIGBUKXEE-UHFFFAOYSA-N 1 1 422.495 4.021 50 0 HIAAMO Cc1cc(C)c(C[N@H+]2CCc3c(c(C(=O)N(C)C)nn3CCC(F)(F)F)C2)cc1C ZINC000014732661 845975628 /nfs/dbraw/zinc/97/56/28/845975628.db2.gz LGIGNSIGBUKXEE-UHFFFAOYSA-N 1 1 422.495 4.021 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)c(OC)c1 ZINC000014957655 845994548 /nfs/dbraw/zinc/99/45/48/845994548.db2.gz YNNONQLKRIWTNE-KRWDZBQOSA-N 1 1 402.560 4.074 50 0 HIAAMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CN(C(=O)c2cc4ccccc4o2)CCO3)C[C@H](C)O1 ZINC000014996683 845998147 /nfs/dbraw/zinc/99/81/47/845998147.db2.gz RBUJAAUHJQVYIT-HDICACEKSA-N 1 1 420.509 4.077 50 0 HIAAMO C[C@@H]1C[N@H+](Cc2ccc3c(c2)CN(C(=O)c2cc4ccccc4o2)CCO3)C[C@H](C)O1 ZINC000014996683 845998155 /nfs/dbraw/zinc/99/81/55/845998155.db2.gz RBUJAAUHJQVYIT-HDICACEKSA-N 1 1 420.509 4.077 50 0 HIAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3C4CC5CC(C4)CC3C5)C2)CC1 ZINC000020877988 846392276 /nfs/dbraw/zinc/39/22/76/846392276.db2.gz OGIGOJWYYLQWLX-YZDHWTPESA-N 1 1 409.618 4.106 50 0 HIAAMO O=C(/C=C\c1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000098003975 852649003 /nfs/dbraw/zinc/64/90/03/852649003.db2.gz UMIFJTXUGRFCJJ-VURMDHGXSA-N 1 1 405.325 4.155 50 0 HIAAMO CCOc1cccc(C[NH+]2CCC3(CC[C@@H](CN(C)Cc4ccncc4)O3)CC2)c1 ZINC000257188066 854233845 /nfs/dbraw/zinc/23/38/45/854233845.db2.gz DGVOVEAZAJSORV-DEOSSOPVSA-N 1 1 409.574 4.126 50 0 HIAAMO CCOc1cccc(C[NH+]2CCC3(CC[C@H](CN(C)Cc4ccncc4)O3)CC2)c1 ZINC000257188067 854234206 /nfs/dbraw/zinc/23/42/06/854234206.db2.gz DGVOVEAZAJSORV-XMMPIXPASA-N 1 1 409.574 4.126 50 0 HIAAMO COc1cc(C[NH+]2CCC(F)(c3nc(Cc4ccccc4)no3)CC2)cc(OC)c1 ZINC000257187784 854234250 /nfs/dbraw/zinc/23/42/50/854234250.db2.gz MCYHNFACCFUAHV-UHFFFAOYSA-N 1 1 411.477 4.138 50 0 HIAAMO c1c(-c2ccccc2)c2c(nc[nH+]c2N2CCC3(CC2)OCCO3)n1-c1ccccc1 ZINC000001447539 132246312 /nfs/dbraw/zinc/24/63/12/132246312.db2.gz YRJRSWQZWGECLR-UHFFFAOYSA-N 1 1 412.493 4.431 50 0 HIAAMO CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2N2CC[NH+](CC)CC2)cc1 ZINC000006006647 132308879 /nfs/dbraw/zinc/30/88/79/132308879.db2.gz MTFUOYZHOWFULN-UHFFFAOYSA-N 1 1 403.526 4.179 50 0 HIAAMO Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c1 ZINC000007982978 132326493 /nfs/dbraw/zinc/32/64/93/132326493.db2.gz BTFQXGGFHIEJOT-UHFFFAOYSA-N 1 1 415.946 4.016 50 0 HIAAMO CC(=O)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020591233 519750208 /nfs/dbraw/zinc/75/02/08/519750208.db2.gz WHUZEHDHSARJLD-UHFFFAOYSA-N 1 1 413.521 4.192 50 0 HIAAMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1cccc(C)c1 ZINC000040720439 520713740 /nfs/dbraw/zinc/71/37/40/520713740.db2.gz NVGJXUZDJWZLDB-UHFFFAOYSA-N 1 1 421.379 4.386 50 0 HIAAMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040720692 521658159 /nfs/dbraw/zinc/65/81/59/521658159.db2.gz CWQRKZGZASEJAH-NRFANRHFSA-N 1 1 415.965 4.240 50 0 HIAAMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000040720692 521658163 /nfs/dbraw/zinc/65/81/63/521658163.db2.gz CWQRKZGZASEJAH-NRFANRHFSA-N 1 1 415.965 4.240 50 0 HIAAMO C[NH+](C)CCNCc1cc(Br)ccc1OCc1c(F)cccc1Cl ZINC000040720408 521790075 /nfs/dbraw/zinc/79/00/75/521790075.db2.gz PISRYEREAFBMML-UHFFFAOYSA-N 1 1 415.734 4.472 50 0 HIAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)[C@H](C)c1cc3ccccc3o1)CC2 ZINC000032754486 523027042 /nfs/dbraw/zinc/02/70/42/523027042.db2.gz LSYHLWYDBDTEEK-MRXNPFEDSA-N 1 1 408.498 4.028 50 0 HIAAMO COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)[C@H](C)c1cc3ccccc3o1)CC2 ZINC000032754486 523027047 /nfs/dbraw/zinc/02/70/47/523027047.db2.gz LSYHLWYDBDTEEK-MRXNPFEDSA-N 1 1 408.498 4.028 50 0 HIAAMO C[C@H](NC(=O)c1cccs1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1 ZINC000020288504 525248079 /nfs/dbraw/zinc/24/80/79/525248079.db2.gz NNXBPKZRFHDXSZ-UWJYYQICSA-N 1 1 411.596 4.491 50 0 HIAAMO COc1ccc([C@H]2CCC[N@H+]2CC(=O)N(C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000032811498 525412580 /nfs/dbraw/zinc/41/25/80/525412580.db2.gz NVVHZVQRRSRCAV-HXUWFJFHSA-N 1 1 404.457 4.092 50 0 HIAAMO Cc1nc(CSCC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)cs1 ZINC000032931180 526912217 /nfs/dbraw/zinc/91/22/17/526912217.db2.gz OOEJNYNVWMHCTE-MRXNPFEDSA-N 1 1 403.617 4.376 50 0 HIAAMO O[C@@H](COCc1ccc2c(c1)OCO2)C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000032843156 527658342 /nfs/dbraw/zinc/65/83/42/527658342.db2.gz BQWNDSDANVLCTC-DVECYGJZSA-N 1 1 423.534 4.002 50 0 HIAAMO C[C@@H]1CCCN(c2cc(C(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3ccccc3n2)C1 ZINC000022636043 557308051 /nfs/dbraw/zinc/30/80/51/557308051.db2.gz MHNOAWVWPPNNEH-UXHICEINSA-N 1 1 408.590 4.465 50 0 HIAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc1)c1ccc(F)cc1F ZINC000034681907 557383936 /nfs/dbraw/zinc/38/39/36/557383936.db2.gz FDESIWWUAGSCCV-UHFFFAOYSA-N 1 1 422.479 4.324 50 0 HIAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C(C)C)[N@H+](Cc1cccc(C)c1)CC2 ZINC000034855582 557476818 /nfs/dbraw/zinc/47/68/18/557476818.db2.gz YGFKIXXJALZQNI-KOSHJBKYSA-N 1 1 410.558 4.272 50 0 HIAAMO COc1cc2c(cc1OC)[C@H]([C@@H](C)NC(=O)C(C)C)[N@@H+](Cc1cccc(C)c1)CC2 ZINC000034855582 557476822 /nfs/dbraw/zinc/47/68/22/557476822.db2.gz YGFKIXXJALZQNI-KOSHJBKYSA-N 1 1 410.558 4.272 50 0 HIAAMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2)CC1)N(c1ccccc1)C1CCCCC1 ZINC000004321663 557540886 /nfs/dbraw/zinc/54/08/86/557540886.db2.gz XFGDFQQTODYAMQ-UHFFFAOYSA-N 1 1 419.569 4.247 50 0 HIAAMO COCCC[N@@H+](CC(=O)N1CCS[C@@H]1c1ccc(F)cc1)Cc1ccc(C)cc1 ZINC000004462349 557556177 /nfs/dbraw/zinc/55/61/77/557556177.db2.gz MCYOYFNDUAPHQY-HSZRJFAPSA-N 1 1 416.562 4.247 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCC3)C2)ccc1OCc1ccccc1 ZINC000004745273 557591603 /nfs/dbraw/zinc/59/16/03/557591603.db2.gz VCXVLGREISECBB-HSZRJFAPSA-N 1 1 422.569 4.499 50 0 HIAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OCc1cccnc1 ZINC000004942960 557615411 /nfs/dbraw/zinc/61/54/11/557615411.db2.gz TUHHLLOHZVHSBQ-UHFFFAOYSA-N 1 1 403.276 4.315 50 0 HIAAMO Cc1cccnc1CNC(=O)CC[N@@H+]1Cc2ccccc2O[C@H](c2ccccc2F)C1 ZINC000019742397 558262676 /nfs/dbraw/zinc/26/26/76/558262676.db2.gz NNFBZWZEPYFADL-DEOSSOPVSA-N 1 1 419.500 4.171 50 0 HIAAMO CN(C(=O)c1ccccc1-n1cccn1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011661415 558265376 /nfs/dbraw/zinc/26/53/76/558265376.db2.gz ONMKUISXPNHYGQ-QFIPXVFZSA-N 1 1 402.542 4.042 50 0 HIAAMO COc1ccc2cc(-c3n[nH]cc3C[NH+]3CCC(N4CCSCC4)CC3)ccc2c1 ZINC000011663390 558266970 /nfs/dbraw/zinc/26/69/70/558266970.db2.gz XQAPQLPCHGJMOO-UHFFFAOYSA-N 1 1 422.598 4.252 50 0 HIAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(C)c(OC)cc3C)oc2C)C1 ZINC000011702009 558270427 /nfs/dbraw/zinc/27/04/27/558270427.db2.gz BBXOBQQAVYZQAY-LJQANCHMSA-N 1 1 413.562 4.356 50 0 HIAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1CCCc1ccccc1 ZINC000011789370 558277233 /nfs/dbraw/zinc/27/72/33/558277233.db2.gz GEIHTWDWWPEAEA-UGKGYDQZSA-N 1 1 422.598 4.255 50 0 HIAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1)C(=O)CCC(F)(F)F ZINC000011817711 558281023 /nfs/dbraw/zinc/28/10/23/558281023.db2.gz AHSOYHPVSVFVCM-SFHVURJKSA-N 1 1 400.485 4.141 50 0 HIAAMO Cc1ccc(-c2cccc(C[N@@H+]3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)c2)o1 ZINC000019836942 558293157 /nfs/dbraw/zinc/29/31/57/558293157.db2.gz SPQMMXOCOFCUMT-DEOSSOPVSA-N 1 1 405.542 4.027 50 0 HIAAMO Cc1ccc(-c2cccc(C[N@H+]3CCN(Cc4cccc(C)n4)[C@@H](CCO)C3)c2)o1 ZINC000019836942 558293159 /nfs/dbraw/zinc/29/31/59/558293159.db2.gz SPQMMXOCOFCUMT-DEOSSOPVSA-N 1 1 405.542 4.027 50 0 HIAAMO CCc1cc([C@@H](c2ccccn2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880753 558300774 /nfs/dbraw/zinc/30/07/74/558300774.db2.gz IIYDJCWOXXIPMK-QFIPXVFZSA-N 1 1 420.582 4.295 50 0 HIAAMO O=C(CC[NH+]1CCN(Cc2cccc3ccccc32)CC1)Nc1ccc2c(c1)CCC2 ZINC000019900050 558304697 /nfs/dbraw/zinc/30/46/97/558304697.db2.gz AEOYHWGMVVXPSS-UHFFFAOYSA-N 1 1 413.565 4.475 50 0 HIAAMO Cc1nc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](Cc4ccccc4F)C3)cc2nc1C ZINC000012001245 558308449 /nfs/dbraw/zinc/30/84/49/558308449.db2.gz CAAHSDKQDBUQSQ-FQEVSTJZSA-N 1 1 406.505 4.122 50 0 HIAAMO Cc1nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](Cc4ccccc4F)C3)cc2nc1C ZINC000012001245 558308451 /nfs/dbraw/zinc/30/84/51/558308451.db2.gz CAAHSDKQDBUQSQ-FQEVSTJZSA-N 1 1 406.505 4.122 50 0 HIAAMO CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccc(F)cc2)C3)cs1 ZINC000012004329 558308907 /nfs/dbraw/zinc/30/89/07/558308907.db2.gz DLCDLCAZDOEVLT-QFIPXVFZSA-N 1 1 400.519 4.218 50 0 HIAAMO CC(=O)c1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)cs1 ZINC000012004329 558308909 /nfs/dbraw/zinc/30/89/09/558308909.db2.gz DLCDLCAZDOEVLT-QFIPXVFZSA-N 1 1 400.519 4.218 50 0 HIAAMO O=C(CC[C@H]1CCC[N@@H+](CCCn2cccn2)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000012023016 558309782 /nfs/dbraw/zinc/30/97/82/558309782.db2.gz SNJDUKVAYJXDMG-QGZVFWFLSA-N 1 1 408.468 4.423 50 0 HIAAMO C[N@H+](Cc1cn(-c2ccc(F)cc2)nc1-c1ccccc1Cl)C[C@@H]1COCCO1 ZINC000012075427 558319621 /nfs/dbraw/zinc/31/96/21/558319621.db2.gz IEEPGKYRSWFKMV-LJQANCHMSA-N 1 1 415.896 4.179 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc(C)s3)C2)c(OC)c1 ZINC000012075822 558319652 /nfs/dbraw/zinc/31/96/52/558319652.db2.gz SOJOPWMDDILMFU-GOSISDBHSA-N 1 1 416.587 4.382 50 0 HIAAMO O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012091037 558324264 /nfs/dbraw/zinc/32/42/64/558324264.db2.gz LJDGQIYOBWLODK-GOSISDBHSA-N 1 1 407.432 4.171 50 0 HIAAMO CCN(Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000020109611 558334788 /nfs/dbraw/zinc/33/47/88/558334788.db2.gz MOPGLZPKCNHXAF-QFIPXVFZSA-N 1 1 420.601 4.359 50 0 HIAAMO CCN(Cc1nc2ccccc2n1C)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000020211460 558347505 /nfs/dbraw/zinc/34/75/05/558347505.db2.gz XENOWXUDZOEDRO-NRFANRHFSA-N 1 1 408.565 4.489 50 0 HIAAMO COc1cccc(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)c1 ZINC000020211789 558347897 /nfs/dbraw/zinc/34/78/97/558347897.db2.gz PIOYIDIPPJVFGP-FQEVSTJZSA-N 1 1 408.571 4.496 50 0 HIAAMO C[C@@H]1C[NH+](CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C[C@@H](C)O1 ZINC000020421390 558362000 /nfs/dbraw/zinc/36/20/00/558362000.db2.gz CBAALCSGEDVLKC-HZPDHXFCSA-N 1 1 400.906 4.009 50 0 HIAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3cccc(SC)c3)C2)CC1 ZINC000020453740 558367792 /nfs/dbraw/zinc/36/77/92/558367792.db2.gz CVCYPUKNJZMMPV-OAQYLSRUSA-N 1 1 411.615 4.204 50 0 HIAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cccc(SC)c3)C2)CC1 ZINC000020453740 558367794 /nfs/dbraw/zinc/36/77/94/558367794.db2.gz CVCYPUKNJZMMPV-OAQYLSRUSA-N 1 1 411.615 4.204 50 0 HIAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccn3-c3nccs3)C2)cc1OC ZINC000012298086 558368145 /nfs/dbraw/zinc/36/81/45/558368145.db2.gz AEJQGTLJLUZVJG-KRWDZBQOSA-N 1 1 411.527 4.046 50 0 HIAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccn3-c3nccs3)C2)cc1OC ZINC000012298086 558368147 /nfs/dbraw/zinc/36/81/47/558368147.db2.gz AEJQGTLJLUZVJG-KRWDZBQOSA-N 1 1 411.527 4.046 50 0 HIAAMO Cc1ccc2n[nH]c(C(=O)N(C[C@H]3CCCO3)CC3CC[NH+](C4CCCC4)CC3)c2c1 ZINC000012299798 558369698 /nfs/dbraw/zinc/36/96/98/558369698.db2.gz DSZHEDUBDDVCOB-OAQYLSRUSA-N 1 1 424.589 4.147 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)c3cn(C)c4ccccc34)C2)cc1 ZINC000012315325 558378587 /nfs/dbraw/zinc/37/85/87/558378587.db2.gz YIKWIGJCJUJCOU-NRFANRHFSA-N 1 1 419.569 4.214 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c(OC)c1 ZINC000012386992 558395939 /nfs/dbraw/zinc/39/59/39/558395939.db2.gz VQUQISCMPDPTLF-GOSISDBHSA-N 1 1 414.521 4.152 50 0 HIAAMO CCN(Cc1nc2ccccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012429327 558404252 /nfs/dbraw/zinc/40/42/52/558404252.db2.gz MWXMOILSPYXCIO-NRFANRHFSA-N 1 1 406.574 4.348 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3cc(C)c(C)o3)C2)c(OC)c1 ZINC000012577651 558431530 /nfs/dbraw/zinc/43/15/30/558431530.db2.gz GELCWNDADJTUIZ-IBGZPJMESA-N 1 1 414.546 4.222 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3sccc3C)C2)c(OC)c1 ZINC000012585490 558433839 /nfs/dbraw/zinc/43/38/39/558433839.db2.gz YJMKHWZIMREROX-GOSISDBHSA-N 1 1 416.587 4.382 50 0 HIAAMO CC(=O)c1cc(C[NH+]2CCC(n3nccc3NC(=O)c3ccccc3)CC2)cs1 ZINC000012591426 558436024 /nfs/dbraw/zinc/43/60/24/558436024.db2.gz GTGVLFMEVWFCLH-UHFFFAOYSA-N 1 1 408.527 4.237 50 0 HIAAMO CCOc1ccccc1C[N@@H+]1CCc2nc(Nc3ccc(OC)cc3OC)ncc2C1 ZINC000021639613 558444274 /nfs/dbraw/zinc/44/42/74/558444274.db2.gz HPLCTIZDHHLJFZ-UHFFFAOYSA-N 1 1 420.513 4.194 50 0 HIAAMO CCOc1ccccc1C[N@H+]1CCc2nc(Nc3ccc(OC)cc3OC)ncc2C1 ZINC000021639613 558444278 /nfs/dbraw/zinc/44/42/78/558444278.db2.gz HPLCTIZDHHLJFZ-UHFFFAOYSA-N 1 1 420.513 4.194 50 0 HIAAMO C[N@H+](C[C@@H](O)COc1cccc(CNCc2ccccc2F)c1)C1CCCCC1 ZINC000012701256 558447642 /nfs/dbraw/zinc/44/76/42/558447642.db2.gz AALAZQLTDYDKNQ-JOCHJYFZSA-N 1 1 400.538 4.120 50 0 HIAAMO C[N@@H+](C[C@@H](O)COc1cccc(CNCc2ccccc2F)c1)C1CCCCC1 ZINC000012701256 558447645 /nfs/dbraw/zinc/44/76/45/558447645.db2.gz AALAZQLTDYDKNQ-JOCHJYFZSA-N 1 1 400.538 4.120 50 0 HIAAMO Cc1nc(N2CCCCC2)cc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)[nH+]1 ZINC000021793709 558449165 /nfs/dbraw/zinc/44/91/65/558449165.db2.gz RHPINQXYWMZSIC-UHFFFAOYSA-N 1 1 421.589 4.035 50 0 HIAAMO CCc1nn2c(nc(C[N@@H+](CCc3ccccc3)Cc3ccc(C)s3)cc2=O)s1 ZINC000021842899 558451913 /nfs/dbraw/zinc/45/19/13/558451913.db2.gz LNQCMKARGYOWOZ-UHFFFAOYSA-N 1 1 424.595 4.328 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3c(OC)cccc3OC)C2)cc1 ZINC000012710551 558452166 /nfs/dbraw/zinc/45/21/66/558452166.db2.gz WGHOSQXTGHOJQQ-NRFANRHFSA-N 1 1 412.574 4.099 50 0 HIAAMO COc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3OC)C2)cc1C ZINC000012746323 558458067 /nfs/dbraw/zinc/45/80/67/558458067.db2.gz LBZZCVRIHQEBFL-FQEVSTJZSA-N 1 1 410.558 4.039 50 0 HIAAMO COc1ccc(OCC[N@@H+](C)Cc2cc(=O)oc3cc(Br)ccc23)cc1 ZINC000012803263 558472541 /nfs/dbraw/zinc/47/25/41/558472541.db2.gz FNTJYWPHQROLSA-UHFFFAOYSA-N 1 1 418.287 4.075 50 0 HIAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cnc(N(C)C)s4)C3)ccc2c1 ZINC000023128565 558536293 /nfs/dbraw/zinc/53/62/93/558536293.db2.gz QKVATIMXBGVBKW-LJQANCHMSA-N 1 1 409.555 4.466 50 0 HIAAMO CN(Cc1cccn1-c1nccs1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000023337605 558550077 /nfs/dbraw/zinc/55/00/77/558550077.db2.gz GUSMWQOTDZYVPT-FQEVSTJZSA-N 1 1 412.578 4.459 50 0 HIAAMO Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000014140246 558624880 /nfs/dbraw/zinc/62/48/80/558624880.db2.gz YXWUMPZDSKXGCS-NRFANRHFSA-N 1 1 422.960 4.206 50 0 HIAAMO CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccc3c(c2)OCCO3)c2cccs2)cc1 ZINC000014184872 558629994 /nfs/dbraw/zinc/62/99/94/558629994.db2.gz SDBKWTPYBLDXAA-QHCPKHFHSA-N 1 1 408.523 4.399 50 0 HIAAMO CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025139695 558632502 /nfs/dbraw/zinc/63/25/02/558632502.db2.gz YOBVPQOJFBPYPA-UHFFFAOYSA-N 1 1 422.356 4.167 50 0 HIAAMO Cc1ccccc1C[NH+]1CCN(C(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)CC1 ZINC000014197238 558634065 /nfs/dbraw/zinc/63/40/65/558634065.db2.gz GKPCZYLOMCMJAW-SEJPIABJSA-N 1 1 416.656 4.252 50 0 HIAAMO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014200937 558636585 /nfs/dbraw/zinc/63/65/85/558636585.db2.gz OAKOVNVYZPJBSD-WWNPGLIZSA-N 1 1 409.526 4.050 50 0 HIAAMO CC(C)(CNC(=O)c1cc(Br)ccc1F)[N@H+]1CCc2ccccc2C1 ZINC000025464437 558641851 /nfs/dbraw/zinc/64/18/51/558641851.db2.gz WDWXQCRBTFXBBZ-UHFFFAOYSA-N 1 1 405.311 4.155 50 0 HIAAMO C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1)c1ccc2c(c1)CCCC2 ZINC000026299823 558658615 /nfs/dbraw/zinc/65/86/15/558658615.db2.gz DPLKYXYRQXYXQW-OALUTQOASA-N 1 1 417.557 4.016 50 0 HIAAMO CCN1C(=O)N(CCC(C)C)C2(CC[NH+](Cc3c(F)cccc3Cl)CC2)C1=O ZINC000014732026 558665686 /nfs/dbraw/zinc/66/56/86/558665686.db2.gz XLNUHQRFLUJLIO-UHFFFAOYSA-N 1 1 409.933 4.144 50 0 HIAAMO C[C@H](c1cc2ccccc2o1)N(C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000027364041 558672466 /nfs/dbraw/zinc/67/24/66/558672466.db2.gz XZXLUIJJQFAIPL-GOSISDBHSA-N 1 1 407.514 4.168 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1)N1CCOCC1 ZINC000014966940 558686105 /nfs/dbraw/zinc/68/61/05/558686105.db2.gz PEWJVYJISOFRLG-QFIPXVFZSA-N 1 1 422.569 4.117 50 0 HIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1)N1CCOCC1 ZINC000014966944 558686170 /nfs/dbraw/zinc/68/61/70/558686170.db2.gz PEWJVYJISOFRLG-JOCHJYFZSA-N 1 1 422.569 4.117 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc2c1OCO2 ZINC000014970497 558687359 /nfs/dbraw/zinc/68/73/59/558687359.db2.gz AUDCTNDKRBMVNG-GOSISDBHSA-N 1 1 411.498 4.144 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)c3cc(C)c(OC)c(C)c3)C2)cc2c1OCO2 ZINC000014970497 558687362 /nfs/dbraw/zinc/68/73/62/558687362.db2.gz AUDCTNDKRBMVNG-GOSISDBHSA-N 1 1 411.498 4.144 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(-c4ccccc4)cc3)C2)cn1 ZINC000014971349 558687413 /nfs/dbraw/zinc/68/74/13/558687413.db2.gz NHQQJDALRVCDPO-HXUWFJFHSA-N 1 1 402.542 4.212 50 0 HIAAMO O=C1c2cccc(N3CC[NH+](Cc4ccco4)CC3)c2C(=O)N1c1cccc(Cl)c1 ZINC000014975199 558689060 /nfs/dbraw/zinc/68/90/60/558689060.db2.gz PQDZRBLFNGKQTO-UHFFFAOYSA-N 1 1 421.884 4.056 50 0 HIAAMO COC(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CCn3cccn3)c(C)o2)cc1 ZINC000014980735 558691117 /nfs/dbraw/zinc/69/11/17/558691117.db2.gz WSQQSOQXVGPWHW-HXUWFJFHSA-N 1 1 408.502 4.078 50 0 HIAAMO Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCCC3)oc2c1 ZINC000028293456 558698588 /nfs/dbraw/zinc/69/85/88/558698588.db2.gz MUQOXMHPFLYTAV-KRWDZBQOSA-N 1 1 410.539 4.428 50 0 HIAAMO S=c1sc(NC2CCCCC2)nn1CN1CC[NH+](Cc2cccs2)CC1 ZINC000028706514 558704023 /nfs/dbraw/zinc/70/40/23/558704023.db2.gz RHAROHUSSOOVBO-UHFFFAOYSA-N 1 1 409.650 4.255 50 0 HIAAMO COc1cccc(-c2nc(C[N@H+](C)Cc3ccc4nccnc4c3)c(C)o2)c1OC ZINC000015063550 558706200 /nfs/dbraw/zinc/70/62/00/558706200.db2.gz OPBVPNNYBGKNOQ-UHFFFAOYSA-N 1 1 404.470 4.242 50 0 HIAAMO COc1cccc(-c2nc(C[N@@H+](C)Cc3ccc4nccnc4c3)c(C)o2)c1OC ZINC000015063550 558706203 /nfs/dbraw/zinc/70/62/03/558706203.db2.gz OPBVPNNYBGKNOQ-UHFFFAOYSA-N 1 1 404.470 4.242 50 0 HIAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000015063998 558706825 /nfs/dbraw/zinc/70/68/25/558706825.db2.gz PNOHLDPCJKYNSJ-HXUWFJFHSA-N 1 1 406.505 4.261 50 0 HIAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000015063998 558706828 /nfs/dbraw/zinc/70/68/28/558706828.db2.gz PNOHLDPCJKYNSJ-HXUWFJFHSA-N 1 1 406.505 4.261 50 0 HIAAMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)c3cc(Cl)ccc3OC)C2)cc1CO ZINC000015075283 558715768 /nfs/dbraw/zinc/71/57/68/558715768.db2.gz JRBDLCTVCPPVCR-QGZVFWFLSA-N 1 1 417.933 4.335 50 0 HIAAMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC000029490468 558716084 /nfs/dbraw/zinc/71/60/84/558716084.db2.gz DUGDXTOJQJSTCH-KRWDZBQOSA-N 1 1 407.297 4.338 50 0 HIAAMO COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000029490468 558716087 /nfs/dbraw/zinc/71/60/87/558716087.db2.gz DUGDXTOJQJSTCH-KRWDZBQOSA-N 1 1 407.297 4.338 50 0 HIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1nc(C)nc2ccccc21 ZINC000015080181 558718790 /nfs/dbraw/zinc/71/87/90/558718790.db2.gz WPRFCXGUCIRKHE-SIKLNZKXSA-N 1 1 418.566 4.173 50 0 HIAAMO COc1cc(OC)c(C2=CC[N@H+](Cc3cc(=O)oc4cc(C)ccc34)CC2)c(OC)c1 ZINC000011060986 558721664 /nfs/dbraw/zinc/72/16/64/558721664.db2.gz OHDVIDDYKOIXGO-UHFFFAOYSA-N 1 1 421.493 4.417 50 0 HIAAMO COc1cc(OC)c(C2=CC[N@@H+](Cc3cc(=O)oc4cc(C)ccc34)CC2)c(OC)c1 ZINC000011060986 558721667 /nfs/dbraw/zinc/72/16/67/558721667.db2.gz OHDVIDDYKOIXGO-UHFFFAOYSA-N 1 1 421.493 4.417 50 0 HIAAMO CCN1CC[NH+](CCCNc2nc(-c3ccc(Cl)cc3)nc3ccccc32)CC1 ZINC000022937871 558726088 /nfs/dbraw/zinc/72/60/88/558726088.db2.gz UZJZRJZFGLGAHZ-UHFFFAOYSA-N 1 1 409.965 4.390 50 0 HIAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+](C)C)o1 ZINC000015860403 558757920 /nfs/dbraw/zinc/75/79/20/558757920.db2.gz NTCPCXCBUNFCPM-INIZCTEOSA-N 1 1 418.291 4.038 50 0 HIAAMO CCOc1cc(C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)ccc1OCC(N)=O ZINC000033087228 558760507 /nfs/dbraw/zinc/76/05/07/558760507.db2.gz TYZVUHCQOHOJPD-OAQYLSRUSA-N 1 1 412.530 4.075 50 0 HIAAMO COc1ccc([C@@H]2c3cc4c(cc3O[C@@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000035361731 558790542 /nfs/dbraw/zinc/79/05/42/558790542.db2.gz CXJCSMSERSADKZ-ZYNUUPFYSA-N 1 1 411.498 4.405 50 0 HIAAMO COc1cccc(CNC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000017069845 558813681 /nfs/dbraw/zinc/81/36/81/558813681.db2.gz NLIOZBZEDICJOK-UHFFFAOYSA-N 1 1 415.537 4.312 50 0 HIAAMO O=C(c1cccn1Cc1ccncc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000071853743 558835707 /nfs/dbraw/zinc/83/57/07/558835707.db2.gz FHPOHPXKWCWBTQ-UHFFFAOYSA-N 1 1 410.521 4.043 50 0 HIAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(N[C@H]2CCc3ccccc32)nc1 ZINC000067981640 558862587 /nfs/dbraw/zinc/86/25/87/558862587.db2.gz KLMZIOIMGZMVMG-NRFANRHFSA-N 1 1 403.530 4.321 50 0 HIAAMO OCC[C@H]1CN(Cc2nc(-c3ccccc3)cs2)CC[N@H+]1CCCc1ccccc1 ZINC000019301076 558866566 /nfs/dbraw/zinc/86/65/66/558866566.db2.gz KAGRLDWQDPNAME-QHCPKHFHSA-N 1 1 421.610 4.312 50 0 HIAAMO Cn1cc(C[NH+]2CCN(c3nc4ccccc4s3)CC2)c(-c2ccccc2F)n1 ZINC000055060758 558871082 /nfs/dbraw/zinc/87/10/82/558871082.db2.gz MVPITGWLEQWNFR-UHFFFAOYSA-N 1 1 407.518 4.158 50 0 HIAAMO COCCN(Cc1cccc(F)c1F)CC1CC[NH+](Cc2ccccc2OC)CC1 ZINC000055152889 558874159 /nfs/dbraw/zinc/87/41/59/558874159.db2.gz KGQSDQSZLCQFNS-UHFFFAOYSA-N 1 1 418.528 4.334 50 0 HIAAMO O=C(c1ccc(F)cc1Cl)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055254032 558877575 /nfs/dbraw/zinc/87/75/75/558877575.db2.gz AEZRQWPVADCVBD-LJQANCHMSA-N 1 1 419.903 4.045 50 0 HIAAMO O=C(c1ccc(F)cc1Cl)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000055254034 558877605 /nfs/dbraw/zinc/87/76/05/558877605.db2.gz AEZRQWPVADCVBD-IBGZPJMESA-N 1 1 419.903 4.045 50 0 HIAAMO CCCN(C(=O)NCc1ccc2c(c1)OCO2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058186142 558910456 /nfs/dbraw/zinc/91/04/56/558910456.db2.gz KBCHONFEMMZWFT-NRFANRHFSA-N 1 1 409.530 4.002 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(F)cc1Br ZINC000058249142 558914937 /nfs/dbraw/zinc/91/49/37/558914937.db2.gz PKNBELAWONWKJK-AWEZNQCLSA-N 1 1 400.336 4.042 50 0 HIAAMO O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033252368 558920684 /nfs/dbraw/zinc/92/06/84/558920684.db2.gz NEONQEIBTOMAMJ-UHFFFAOYSA-N 1 1 424.504 4.362 50 0 HIAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3nsnc3c2)C1 ZINC000059379725 558934858 /nfs/dbraw/zinc/93/48/58/558934858.db2.gz SQBGNZLTTKHUHB-AWEZNQCLSA-N 1 1 401.919 4.448 50 0 HIAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc3nsnc3c2)C1 ZINC000059379725 558934859 /nfs/dbraw/zinc/93/48/59/558934859.db2.gz SQBGNZLTTKHUHB-AWEZNQCLSA-N 1 1 401.919 4.448 50 0 HIAAMO COc1cc(C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)ccc1OCC(N)=O ZINC000065365678 558976561 /nfs/dbraw/zinc/97/65/61/558976561.db2.gz QRQDEUNQRIRTHF-LJQANCHMSA-N 1 1 402.922 4.330 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@H+]2CCC[C@H](CO)C2)cc1OC ZINC000072463791 558983385 /nfs/dbraw/zinc/98/33/85/558983385.db2.gz CYQIDQYKDHZTMC-SFHVURJKSA-N 1 1 406.526 4.432 50 0 HIAAMO C[C@H](c1cccnc1)N(C)C(=O)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000067920434 558994731 /nfs/dbraw/zinc/99/47/31/558994731.db2.gz YMJUMDIAQOAUGL-LJQANCHMSA-N 1 1 418.541 4.358 50 0 HIAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@@H](C)NC(=S)Nc2ccccc2C)CC1 ZINC000022457028 558995237 /nfs/dbraw/zinc/99/52/37/558995237.db2.gz OKUVWHFEQQYYAB-XLIONFOSSA-N 1 1 402.633 4.110 50 0 HIAAMO CC[NH+](CC)CCCNC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 ZINC000023305776 559102148 /nfs/dbraw/zinc/10/21/48/559102148.db2.gz WMJNIQBANWAULA-UHFFFAOYSA-N 1 1 406.530 4.214 50 0 HIAAMO Cc1ccc(NC(=O)COc2ccccc2C[NH2+]Cc2nc3ccccc3[nH]2)cc1 ZINC000113397955 559180241 /nfs/dbraw/zinc/18/02/41/559180241.db2.gz PWVBIOCYBDTVOR-UHFFFAOYSA-N 1 1 400.482 4.179 50 0 HIAAMO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000011767238 559258772 /nfs/dbraw/zinc/25/87/72/559258772.db2.gz JBQNCVLWGWHZHF-GOSISDBHSA-N 1 1 409.977 4.072 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000011767238 559258773 /nfs/dbraw/zinc/25/87/73/559258773.db2.gz JBQNCVLWGWHZHF-GOSISDBHSA-N 1 1 409.977 4.072 50 0 HIAAMO C[NH+]1CCN(c2ccc(-c3ccc(NC(=O)c4cccc5ccccc54)cc3)nn2)CC1 ZINC000005259425 560551109 /nfs/dbraw/zinc/55/11/09/560551109.db2.gz RGHRHAMTSFHIJV-UHFFFAOYSA-N 1 1 423.520 4.301 50 0 HIAAMO C[NH+]1CCN(c2ccc(-c3cccc(NC(=O)c4cccc5ccccc54)c3)nn2)CC1 ZINC000005259170 560551212 /nfs/dbraw/zinc/55/12/12/560551212.db2.gz BIDLARFNLRVKCP-UHFFFAOYSA-N 1 1 423.520 4.301 50 0 HIAAMO O=S(=O)(NC[C@H](c1ccsc1)[NH+]1CCCCCC1)c1ccc(F)c(Cl)c1 ZINC000008901260 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CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)C[C@H]1C ZINC000252672271 854205044 /nfs/dbraw/zinc/20/50/44/854205044.db2.gz PTPCKBINVHXRKO-OVPJMRJESA-N 1 1 413.587 4.331 50 0 HIAAMO Cc1ccc(S(=O)(=O)N2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)c(C)c1 ZINC000007982722 132326490 /nfs/dbraw/zinc/32/64/90/132326490.db2.gz JLJOVGOKUZZVHG-UHFFFAOYSA-N 1 1 415.946 4.016 50 0 HIAAMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008192756 132328516 /nfs/dbraw/zinc/32/85/16/132328516.db2.gz SMYLONZKYAXXKW-LJQANCHMSA-N 1 1 403.526 4.135 50 0 HIAAMO C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000008192756 132328518 /nfs/dbraw/zinc/32/85/18/132328518.db2.gz SMYLONZKYAXXKW-LJQANCHMSA-N 1 1 403.526 4.135 50 0 HIAAMO Cc1ccc(C[N@H+]2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)cc1C ZINC000012298195 132358177 /nfs/dbraw/zinc/35/81/77/132358177.db2.gz LYTVLXQXRIKCPF-HSZRJFAPSA-N 1 1 420.601 4.039 50 0 HIAAMO CCC[N@@H+]1CCc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2C1 ZINC000056928505 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50 0 HIAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)CC1 ZINC000020599544 526413239 /nfs/dbraw/zinc/41/32/39/526413239.db2.gz QXFHZAWDESGMHL-QFIPXVFZSA-N 1 1 419.548 4.002 50 0 HIAAMO O=C([C@@H]1CC1(Cl)Cl)N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1 ZINC000032809514 526458763 /nfs/dbraw/zinc/45/87/63/526458763.db2.gz SJPGVMVVXHGGTM-INIZCTEOSA-N 1 1 413.345 4.392 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)CCS2 ZINC000004908320 535566555 /nfs/dbraw/zinc/56/65/55/535566555.db2.gz HUWFSKQRTGZECK-OAQYLSRUSA-N 1 1 409.599 4.321 50 0 HIAAMO N=c1c2c(ncn1CCC[NH+]1CCOCC1)oc(-c1ccccc1)c2-c1ccccc1 ZINC000002199798 557326037 /nfs/dbraw/zinc/32/60/37/557326037.db2.gz KGCBYKIMDOLQAS-UHFFFAOYSA-N 1 1 414.509 4.165 50 0 HIAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)c1 ZINC000002707344 557744354 /nfs/dbraw/zinc/74/43/54/557744354.db2.gz MZMHOOYTRLOARK-ZEQRLZLVSA-N 1 1 408.461 4.499 50 0 HIAAMO O=C(c1cnn(-c2ccccc2)c1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)cc1)C2 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CN(Cc1cc(=O)c2ccccc2[nH]1)C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000012307550 558376231 /nfs/dbraw/zinc/37/62/31/558376231.db2.gz YOGVUMYLSNLYGP-FQEVSTJZSA-N 1 1 407.533 4.466 50 0 HIAAMO CN(Cc1cc(=O)c2ccccc2[nH]1)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012307550 558376235 /nfs/dbraw/zinc/37/62/35/558376235.db2.gz YOGVUMYLSNLYGP-FQEVSTJZSA-N 1 1 407.533 4.466 50 0 HIAAMO COc1ccc(CCn2c(C)c(C)c3c2nc[nH+]c3NCc2ccccn2)cc1OC ZINC000012324273 558383010 /nfs/dbraw/zinc/38/30/10/558383010.db2.gz CFXOAYRWJYKIDH-UHFFFAOYSA-N 1 1 417.513 4.315 50 0 HIAAMO Fc1ccc(NC(=S)N(CCC[NH+]2CCOCC2)Cc2ccccc2)cc1Cl ZINC000020522311 558383628 /nfs/dbraw/zinc/38/36/28/558383628.db2.gz DEISZGAOUHMFJQ-UHFFFAOYSA-N 1 1 421.969 4.400 50 0 HIAAMO C[C@@H](C[N@@H+]1[C@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1I ZINC000012362947 558387476 /nfs/dbraw/zinc/38/74/76/558387476.db2.gz GFRXZFCEZIIFSF-MJBXVCDLSA-N 1 1 401.288 4.099 50 0 HIAAMO CC(C)c1cc(C(=O)N(Cc2cccnc2)CC2CC[NH+](C3CCCC3)CC2)n[nH]1 ZINC000012434026 558407772 /nfs/dbraw/zinc/40/77/72/558407772.db2.gz XBEYZWIJPXJOPR-UHFFFAOYSA-N 1 1 409.578 4.225 50 0 HIAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1 ZINC000012446333 558414244 /nfs/dbraw/zinc/41/42/44/558414244.db2.gz SGSGPKOVWKVFTJ-FQEVSTJZSA-N 1 1 424.589 4.245 50 0 HIAAMO OCC[C@@H]1CN(CC2=Cc3cc(Cl)ccc3OC2)CC[N@H+]1CC1CCCCC1 ZINC000020907548 558421323 /nfs/dbraw/zinc/42/13/23/558421323.db2.gz WUJRPENQKYFDGH-JOCHJYFZSA-N 1 1 404.982 4.065 50 0 HIAAMO CC(C)c1nc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)cs1 ZINC000012572551 558429734 /nfs/dbraw/zinc/42/97/34/558429734.db2.gz MGADDQLAJALKOO-QGZVFWFLSA-N 1 1 403.567 4.432 50 0 HIAAMO COc1cccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccc(OC)cc3F)C2)c1 ZINC000012588932 558435030 /nfs/dbraw/zinc/43/50/30/558435030.db2.gz LOFDCCKPAWZEAR-SFHVURJKSA-N 1 1 414.521 4.152 50 0 HIAAMO C[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2)C[C@@H]1CCCCO1 ZINC000012589316 558435158 /nfs/dbraw/zinc/43/51/58/558435158.db2.gz RKYODAQITQCKCD-NRFANRHFSA-N 1 1 405.498 4.269 50 0 HIAAMO COC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCO3)C1 ZINC000012612474 558438955 /nfs/dbraw/zinc/43/89/55/558438955.db2.gz STTGWNAQDZKDBQ-SFHVURJKSA-N 1 1 405.498 4.126 50 0 HIAAMO COc1ccc(CNC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)c(OC)c1OC ZINC000021841294 558451668 /nfs/dbraw/zinc/45/16/68/558451668.db2.gz WILIMXPPGYUFJO-SFHVURJKSA-N 1 1 404.576 4.337 50 0 HIAAMO COc1ccc(COC[C@H](O)C[N@H+](C)Cc2cccc(Cl)c2Cl)cc1OC ZINC000021842680 558451964 /nfs/dbraw/zinc/45/19/64/558451964.db2.gz UILWXFKMTDKDNP-MRXNPFEDSA-N 1 1 414.329 4.020 50 0 HIAAMO COc1ccc(COC[C@H](O)C[N@@H+](C)Cc2cccc(Cl)c2Cl)cc1OC ZINC000021842680 558451965 /nfs/dbraw/zinc/45/19/65/558451965.db2.gz UILWXFKMTDKDNP-MRXNPFEDSA-N 1 1 414.329 4.020 50 0 HIAAMO O=C(c1ccc2c3c(cccc31)CC2)[C@@H]1CCC[N@H+](Cc2cccc(OCCO)c2)C1 ZINC000012712099 558453278 /nfs/dbraw/zinc/45/32/78/558453278.db2.gz KEZBBIXDDVKHRC-JOCHJYFZSA-N 1 1 415.533 4.404 50 0 HIAAMO O=C(c1cccc2c1OCCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023329366 558549498 /nfs/dbraw/zinc/54/94/98/558549498.db2.gz PCDFELGOPCFXSR-UHFFFAOYSA-N 1 1 414.505 4.005 50 0 HIAAMO CN(Cc1cccn1-c1nccs1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000023337607 558549925 /nfs/dbraw/zinc/54/99/25/558549925.db2.gz GUSMWQOTDZYVPT-HXUWFJFHSA-N 1 1 412.578 4.459 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCc2cn[nH]c2)c(F)c1 ZINC000023340307 558550645 /nfs/dbraw/zinc/55/06/45/558550645.db2.gz PWMRMMYSIUVGMF-UHFFFAOYSA-N 1 1 405.477 4.085 50 0 HIAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375162 558554621 /nfs/dbraw/zinc/55/46/21/558554621.db2.gz PRZSXUPHVPNYCK-HXUWFJFHSA-N 1 1 406.549 4.402 50 0 HIAAMO CC(C)C[N@H+]1CCO[C@H](CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)C1 ZINC000023673289 558566731 /nfs/dbraw/zinc/56/67/31/558566731.db2.gz HAWAYNLAKCFLMC-INIZCTEOSA-N 1 1 409.983 4.080 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)c1 ZINC000013779145 558592860 /nfs/dbraw/zinc/59/28/60/558592860.db2.gz PVMCCDFMXMPZMI-FTBPSBKWSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)c1 ZINC000013779145 558592863 /nfs/dbraw/zinc/59/28/63/558592863.db2.gz PVMCCDFMXMPZMI-FTBPSBKWSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@H+](Cc1ccc(C(N)=O)cc1)CC2 ZINC000014201851 558637199 /nfs/dbraw/zinc/63/71/99/558637199.db2.gz NGQKUAFJDAAQPL-JOCHJYFZSA-N 1 1 408.523 4.012 50 0 HIAAMO COc1cc2c(cc1OC)[C@H](c1cccs1)[N@@H+](Cc1ccc(C(N)=O)cc1)CC2 ZINC000014201851 558637201 /nfs/dbraw/zinc/63/72/01/558637201.db2.gz NGQKUAFJDAAQPL-JOCHJYFZSA-N 1 1 408.523 4.012 50 0 HIAAMO Cc1nn(CC(C)C)c2sc(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)cc12 ZINC000014246480 558647559 /nfs/dbraw/zinc/64/75/59/558647559.db2.gz GKJBAKSYBUICCI-KRWDZBQOSA-N 1 1 400.548 4.222 50 0 HIAAMO O=C(c1ccc(C[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)cc1)N1CCCCC1 ZINC000025702954 558648310 /nfs/dbraw/zinc/64/83/10/558648310.db2.gz ODIXSXIZGOAZGY-DEOSSOPVSA-N 1 1 419.569 4.156 50 0 HIAAMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)c3ccc(N4CCCC4=O)cc3)n2)C1 ZINC000014528605 558655638 /nfs/dbraw/zinc/65/56/38/558655638.db2.gz SNPBEYANYAKQBS-IYBDPMFKSA-N 1 1 412.559 4.000 50 0 HIAAMO C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)c3ccc(N4CCCC4=O)cc3)n2)C1 ZINC000014528605 558655641 /nfs/dbraw/zinc/65/56/41/558655641.db2.gz SNPBEYANYAKQBS-IYBDPMFKSA-N 1 1 412.559 4.000 50 0 HIAAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000004543405 558663780 /nfs/dbraw/zinc/66/37/80/558663780.db2.gz CCORXFFUTMXGFR-OAQYLSRUSA-N 1 1 405.523 4.169 50 0 HIAAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000004543405 558663784 /nfs/dbraw/zinc/66/37/84/558663784.db2.gz CCORXFFUTMXGFR-OAQYLSRUSA-N 1 1 405.523 4.169 50 0 HIAAMO O[C@H](C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1F ZINC000026912695 558666852 /nfs/dbraw/zinc/66/68/52/558666852.db2.gz FGNGEYSMRKMGTD-QGZVFWFLSA-N 1 1 417.834 4.139 50 0 HIAAMO O[C@H](C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1F ZINC000026912695 558666855 /nfs/dbraw/zinc/66/68/55/558666855.db2.gz FGNGEYSMRKMGTD-QGZVFWFLSA-N 1 1 417.834 4.139 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C)C2)ccc1OCCCNC(=O)c1cccc(F)c1 ZINC000014880575 558675871 /nfs/dbraw/zinc/67/58/71/558675871.db2.gz MSOWIBRZDWEQLQ-SFHVURJKSA-N 1 1 414.521 4.265 50 0 HIAAMO O=C(c1ccccc1-n1cccn1)N1CCC[C@@H]2C[N@@H+](CCc3ccccc3)CC[C@@H]21 ZINC000014963368 558684810 /nfs/dbraw/zinc/68/48/10/558684810.db2.gz KMKMVZQNJWLLCT-VWNXMTODSA-N 1 1 414.553 4.042 50 0 HIAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccc(OC)c(OC)c3)C2)cc1 ZINC000014971644 558687465 /nfs/dbraw/zinc/68/74/65/558687465.db2.gz QOFXMZAVCRDHRM-QFIPXVFZSA-N 1 1 412.574 4.099 50 0 HIAAMO Cc1c([C@H](C)[NH2+]Cc2sc(N(C)C)nc2Cl)cnn1-c1ccc(F)cc1F ZINC000014971696 558687635 /nfs/dbraw/zinc/68/76/35/558687635.db2.gz MTJLLYLAAIOZHP-JTQLQIEISA-N 1 1 411.909 4.486 50 0 HIAAMO CSc1ncc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)cn1 ZINC000015063984 558706745 /nfs/dbraw/zinc/70/67/45/558706745.db2.gz FMKNEWGMXGGMRW-INIZCTEOSA-N 1 1 402.539 4.277 50 0 HIAAMO CSc1ncc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccc(F)cc3C)C2)cn1 ZINC000015063984 558706749 /nfs/dbraw/zinc/70/67/49/558706749.db2.gz FMKNEWGMXGGMRW-INIZCTEOSA-N 1 1 402.539 4.277 50 0 HIAAMO CCn1ccnc1C[NH+]1CCC(CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000015066496 558709462 /nfs/dbraw/zinc/70/94/62/558709462.db2.gz CPNPGGGCGLPSGU-UHFFFAOYSA-N 1 1 422.495 4.230 50 0 HIAAMO Cc1noc(C)c1C(=O)N(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000015075135 558715562 /nfs/dbraw/zinc/71/55/62/558715562.db2.gz YVTHDYYZPYTTGI-NRFANRHFSA-N 1 1 410.562 4.374 50 0 HIAAMO Cc1ccccc1[C@H](CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)NC(N)=O ZINC000029880231 558723043 /nfs/dbraw/zinc/72/30/43/558723043.db2.gz OWPYPKVIKWTTMY-QHCPKHFHSA-N 1 1 422.573 4.498 50 0 HIAAMO C[C@H]1CCc2onc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2C1 ZINC000015726852 558750919 /nfs/dbraw/zinc/75/09/19/558750919.db2.gz WTANSUGXXWCZNX-IBGZPJMESA-N 1 1 415.537 4.347 50 0 HIAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)[NH+]2CCCCC2)o1 ZINC000015860432 558758061 /nfs/dbraw/zinc/75/80/61/558758061.db2.gz KCGPIYPZYINIPT-SFHVURJKSA-N 1 1 408.498 4.268 50 0 HIAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2OC)N3)C1 ZINC000015947400 558763763 /nfs/dbraw/zinc/76/37/63/558763763.db2.gz BEACJNWQYUWGBV-MRXNPFEDSA-N 1 1 422.348 4.326 50 0 HIAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000016047210 558770597 /nfs/dbraw/zinc/77/05/97/558770597.db2.gz OMBVAYKTPDFKIQ-SPLOXXLWSA-N 1 1 405.491 4.270 50 0 HIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)C1 ZINC000016047210 558770599 /nfs/dbraw/zinc/77/05/99/558770599.db2.gz OMBVAYKTPDFKIQ-SPLOXXLWSA-N 1 1 405.491 4.270 50 0 HIAAMO C[N@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(Cl)cc1 ZINC000016590398 558796430 /nfs/dbraw/zinc/79/64/30/558796430.db2.gz ASNSJFFGZBNIGJ-UHFFFAOYSA-N 1 1 423.826 4.010 50 0 HIAAMO C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccc(Cl)cc1 ZINC000016590398 558796431 /nfs/dbraw/zinc/79/64/31/558796431.db2.gz ASNSJFFGZBNIGJ-UHFFFAOYSA-N 1 1 423.826 4.010 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C ZINC000016694769 558800661 /nfs/dbraw/zinc/80/06/61/558800661.db2.gz XDKKJOVSQQHPNL-HXUWFJFHSA-N 1 1 407.514 4.238 50 0 HIAAMO COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000017082888 558815207 /nfs/dbraw/zinc/81/52/07/558815207.db2.gz SEYBEKYVDQHVJC-ZIAGYGMSSA-N 1 1 404.507 4.257 50 0 HIAAMO COc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC(F)F ZINC000072313554 558840634 /nfs/dbraw/zinc/84/06/34/558840634.db2.gz SUADEJITANATJJ-OAHLLOKOSA-N 1 1 405.445 4.035 50 0 HIAAMO COc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC(F)F ZINC000072313554 558840635 /nfs/dbraw/zinc/84/06/35/558840635.db2.gz SUADEJITANATJJ-OAHLLOKOSA-N 1 1 405.445 4.035 50 0 HIAAMO Cc1cc(C)c2c(nn3c2nc(C)cc3N2CC[NH+](Cc3ccc(Cl)cc3)CC2)n1 ZINC000054284465 558867151 /nfs/dbraw/zinc/86/71/51/558867151.db2.gz KAOQJMXJCMYSNI-UHFFFAOYSA-N 1 1 420.948 4.178 50 0 HIAAMO CC[N@@H+](Cc1cccc2nonc21)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055153792 558874515 /nfs/dbraw/zinc/87/45/15/558874515.db2.gz ZLZYEVMFYCNVGF-FQEVSTJZSA-N 1 1 408.546 4.008 50 0 HIAAMO CC[N@H+](Cc1cccc2nonc21)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000055153792 558874517 /nfs/dbraw/zinc/87/45/17/558874517.db2.gz ZLZYEVMFYCNVGF-FQEVSTJZSA-N 1 1 408.546 4.008 50 0 HIAAMO C[NH+](C)CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000004679752 558890871 /nfs/dbraw/zinc/89/08/71/558890871.db2.gz QHPJBPSDDIVCAK-UHFFFAOYSA-N 1 1 413.993 4.142 50 0 HIAAMO O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)NC(=O)NCc1ccccc1 ZINC000058157242 558903318 /nfs/dbraw/zinc/90/33/18/558903318.db2.gz IEHKDDVIBNYOCA-QFIPXVFZSA-N 1 1 407.901 4.045 50 0 HIAAMO Cc1oc(-c2ccccc2C)nc1C[N@@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000071755051 558909561 /nfs/dbraw/zinc/90/95/61/558909561.db2.gz LOSKLEOWVUATPJ-PZJWPPBQSA-N 1 1 406.482 4.038 50 0 HIAAMO 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UOIGGMDVUAARNZ-MGPUTAFESA-N 1 1 402.922 4.372 50 0 HIAAMO O=C(c1cc(Br)ccc1F)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000012819484 568990983 /nfs/dbraw/zinc/99/09/83/568990983.db2.gz UOOSBUUUCPOMJC-UHFFFAOYSA-N 1 1 409.274 4.075 50 0 HIAAMO O=C(c1cc(Br)ccc1F)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000012819484 568990984 /nfs/dbraw/zinc/99/09/84/568990984.db2.gz UOOSBUUUCPOMJC-UHFFFAOYSA-N 1 1 409.274 4.075 50 0 HIAAMO CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCCCC2)o1 ZINC000006085690 568997977 /nfs/dbraw/zinc/99/79/77/568997977.db2.gz QVYRVOYVLWHYPT-JOCHJYFZSA-N 1 1 413.562 4.087 50 0 HIAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCCc1c[nH]c2ccccc12 ZINC000583652742 569009364 /nfs/dbraw/zinc/00/93/64/569009364.db2.gz MDEUSTZAXWTZGX-QPPBQGQZSA-N 1 1 411.590 4.230 50 0 HIAAMO CCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3C)ccc21 ZINC000026121161 569017413 /nfs/dbraw/zinc/01/74/13/569017413.db2.gz QZTUTFLLZQONMC-UHFFFAOYSA-N 1 1 406.530 4.368 50 0 HIAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012921168 569023227 /nfs/dbraw/zinc/02/32/27/569023227.db2.gz PKLWVCQNGYYDFR-CSODHUTKSA-N 1 1 412.505 4.390 50 0 HIAAMO C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000012921168 569023228 /nfs/dbraw/zinc/02/32/28/569023228.db2.gz PKLWVCQNGYYDFR-CSODHUTKSA-N 1 1 412.505 4.390 50 0 HIAAMO O=C(CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000026459894 569031941 /nfs/dbraw/zinc/03/19/41/569031941.db2.gz HWURGCSWAPZOEG-SFHVURJKSA-N 1 1 406.313 4.425 50 0 HIAAMO O=C(CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl)Nc1ccccc1 ZINC000026459894 569031942 /nfs/dbraw/zinc/03/19/42/569031942.db2.gz HWURGCSWAPZOEG-SFHVURJKSA-N 1 1 406.313 4.425 50 0 HIAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1O ZINC000006230777 569033776 /nfs/dbraw/zinc/03/37/76/569033776.db2.gz KOMRLLIEKTXNSF-OAQYLSRUSA-N 1 1 421.522 4.450 50 0 HIAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1O ZINC000006230777 569033777 /nfs/dbraw/zinc/03/37/77/569033777.db2.gz KOMRLLIEKTXNSF-OAQYLSRUSA-N 1 1 421.522 4.450 50 0 HIAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000229658149 569040590 /nfs/dbraw/zinc/04/05/90/569040590.db2.gz OMBVAYKTPDFKIQ-SZNDQCEHSA-N 1 1 405.491 4.270 50 0 HIAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)C1 ZINC000229658149 569040591 /nfs/dbraw/zinc/04/05/91/569040591.db2.gz OMBVAYKTPDFKIQ-SZNDQCEHSA-N 1 1 405.491 4.270 50 0 HIAAMO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000013001887 569049203 /nfs/dbraw/zinc/04/92/03/569049203.db2.gz UJGHZLPVKRBIMZ-QAPCUYQASA-N 1 1 421.335 4.153 50 0 HIAAMO C[C@]1(c2cccc3ccccc32)NC(=O)N(C[N@@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000239297286 569054093 /nfs/dbraw/zinc/05/40/93/569054093.db2.gz DYMXVEUMUPVQSA-WMZHIEFXSA-N 1 1 405.523 4.463 50 0 HIAAMO C[C@]1(c2cccc3ccccc32)NC(=O)N(C[N@H+]2CCC[C@H]2c2cccs2)C1=O ZINC000239297286 569054094 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/nfs/dbraw/zinc/55/52/61/558555261.db2.gz QUMIPDSHMUTTSX-UHFFFAOYSA-N 1 1 409.396 4.425 50 0 HIAAMO COC(=O)C[C@@H]([NH2+][C@@H]1C(C)=C(C)C(=O)N1CCc1ccccc1)c1ccc(C)cc1C ZINC000013894086 558600162 /nfs/dbraw/zinc/60/01/62/558600162.db2.gz OHZMXAJKOFCPPB-NOZRDPDXSA-N 1 1 420.553 4.245 50 0 HIAAMO O=C(c1cc2c(s1)n(-c1ccccc1)nc2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000013961106 558608960 /nfs/dbraw/zinc/60/89/60/558608960.db2.gz XSTMCDHTGMLDOV-CQSZACIVSA-N 1 1 420.460 4.026 50 0 HIAAMO O=C(CCCOc1ccc(Cl)cc1Cl)NN1CC[NH+](Cc2ccccc2)CC1 ZINC000025326792 558638167 /nfs/dbraw/zinc/63/81/67/558638167.db2.gz ZTAGDMRYBIBTHM-UHFFFAOYSA-N 1 1 422.356 4.001 50 0 HIAAMO O[C@@H](C[N@@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1F ZINC000026912692 558666897 /nfs/dbraw/zinc/66/68/97/558666897.db2.gz FGNGEYSMRKMGTD-KRWDZBQOSA-N 1 1 417.834 4.139 50 0 HIAAMO O[C@@H](C[N@H+]1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccccc1F ZINC000026912692 558666900 /nfs/dbraw/zinc/66/69/00/558666900.db2.gz FGNGEYSMRKMGTD-KRWDZBQOSA-N 1 1 417.834 4.139 50 0 HIAAMO Fc1cccc(CN2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)c1 ZINC000014887035 558677573 /nfs/dbraw/zinc/67/75/73/558677573.db2.gz KBUPEMBXGWSAFS-LJQANCHMSA-N 1 1 400.567 4.183 50 0 HIAAMO COC(=O)c1ccc(-c2noc(C[NH+]3CCC(c4nc5ccccc5o4)CC3)n2)cc1 ZINC000014957190 558682679 /nfs/dbraw/zinc/68/26/79/558682679.db2.gz WKIBOHMMTSWCHZ-UHFFFAOYSA-N 1 1 418.453 4.044 50 0 HIAAMO C[N@@H+](Cc1ccc(C(=O)NCc2cc3ccccc3s2)c(=O)[nH]1)C1CCCCC1 ZINC000014961380 558684087 /nfs/dbraw/zinc/68/40/87/558684087.db2.gz YBYFOQFWOADLOJ-UHFFFAOYSA-N 1 1 409.555 4.284 50 0 HIAAMO CN(c1ccccc1)c1ccc(C[N@@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000014983291 558692513 /nfs/dbraw/zinc/69/25/13/558692513.db2.gz MVFJHSCBOWFFLT-UHFFFAOYSA-N 1 1 400.526 4.084 50 0 HIAAMO C[N@@H+](Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1)CC1CCCCC1 ZINC000015000689 558697485 /nfs/dbraw/zinc/69/74/85/558697485.db2.gz NIWDHUFNMNAIFP-HXUWFJFHSA-N 1 1 415.607 4.157 50 0 HIAAMO C[N@H+](Cc1nnc(SCc2ccccn2)n1C[C@H]1CCCO1)CC1CCCCC1 ZINC000015000689 558697490 /nfs/dbraw/zinc/69/74/90/558697490.db2.gz NIWDHUFNMNAIFP-HXUWFJFHSA-N 1 1 415.607 4.157 50 0 HIAAMO COc1cc2cc(C[NH2+]Cc3ccco3)c(=O)n(Cc3ccc(C)cc3)c2cc1OC ZINC000015008789 558699708 /nfs/dbraw/zinc/69/97/08/558699708.db2.gz HBISKAJANUFKNF-UHFFFAOYSA-N 1 1 418.493 4.258 50 0 HIAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)NCc1ccccc1Cl ZINC000015062338 558705409 /nfs/dbraw/zinc/70/54/09/558705409.db2.gz IRKSODPGTNHTPR-KRWDZBQOSA-N 1 1 414.933 4.377 50 0 HIAAMO C[N@H+](CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCc2ccccc21 ZINC000029303069 558713173 /nfs/dbraw/zinc/71/31/73/558713173.db2.gz NUFLOIRMVRVANX-QHCPKHFHSA-N 1 1 411.505 4.059 50 0 HIAAMO C[N@@H+](CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)[C@H]1CCc2ccccc21 ZINC000029303069 558713177 /nfs/dbraw/zinc/71/31/77/558713177.db2.gz NUFLOIRMVRVANX-QHCPKHFHSA-N 1 1 411.505 4.059 50 0 HIAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](CCC(=O)NCc2cccc(OC)c2)C1 ZINC000015079957 558718317 /nfs/dbraw/zinc/71/83/17/558718317.db2.gz DXQVHKXSVBDLDS-HXUWFJFHSA-N 1 1 410.558 4.403 50 0 HIAAMO Cc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000015310290 558731591 /nfs/dbraw/zinc/73/15/91/558731591.db2.gz CMPSZHSEHODNIH-QFIPXVFZSA-N 1 1 408.542 4.260 50 0 HIAAMO Cc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)c(C)c1 ZINC000015310290 558731592 /nfs/dbraw/zinc/73/15/92/558731592.db2.gz CMPSZHSEHODNIH-QFIPXVFZSA-N 1 1 408.542 4.260 50 0 HIAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)C(C)(C)C)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000016038814 558769921 /nfs/dbraw/zinc/76/99/21/558769921.db2.gz RJQCMQHPALJENL-CBPXPLCBSA-N 1 1 414.505 4.126 50 0 HIAAMO O=C(NCc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000072310067 558778898 /nfs/dbraw/zinc/77/88/98/558778898.db2.gz APKHQXZIYYUCTK-DEOSSOPVSA-N 1 1 419.500 4.081 50 0 HIAAMO O=C(NCc1ccc(OCc2cccnc2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072310067 558778902 /nfs/dbraw/zinc/77/89/02/558778902.db2.gz APKHQXZIYYUCTK-DEOSSOPVSA-N 1 1 419.500 4.081 50 0 HIAAMO CCc1cc2c(cc1OC(=O)[C@@H](C)[NH3+])oc(C(F)(F)F)c(Oc1ccccc1)c2=O ZINC000022204256 558779151 /nfs/dbraw/zinc/77/91/51/558779151.db2.gz SWKVUTGVHBLMCP-LLVKDONJSA-N 1 1 421.371 4.419 50 0 HIAAMO COC(=O)c1c(C[N@@H+](C)C23CC4CC(CC(C4)C2)C3)nc2n(C)c3ccccc3n21 ZINC000003833067 558780398 /nfs/dbraw/zinc/78/03/98/558780398.db2.gz VWOPUHITHRWLTJ-UHFFFAOYSA-N 1 1 406.530 4.013 50 0 HIAAMO CC[NH+]1CCN([C@H](c2cccs2)[C@H](C)NC(=S)Nc2cccc(C)c2C)CC1 ZINC000022941984 558794919 /nfs/dbraw/zinc/79/49/19/558794919.db2.gz OCGCHENCXSGMAE-RXVVDRJESA-N 1 1 416.660 4.419 50 0 HIAAMO Cc1cccc(CN(CCC[NH+]2CCOCC2)C(=S)Nc2ccc(F)cc2)c1 ZINC000017082267 558814249 /nfs/dbraw/zinc/81/42/49/558814249.db2.gz UBDSFJKXFPZAGA-UHFFFAOYSA-N 1 1 401.551 4.055 50 0 HIAAMO C[C@H](c1nccs1)[N@@H+](C)[C@@H]1CCC(=O)N(Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000039490087 558821729 /nfs/dbraw/zinc/82/17/29/558821729.db2.gz OMPLDYHNBNZCLJ-UKRRQHHQSA-N 1 1 421.950 4.099 50 0 HIAAMO COc1ccc(CC[N@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1OC ZINC000019300996 558866582 /nfs/dbraw/zinc/86/65/82/558866582.db2.gz VHVOLHYPPZBMHM-UHFFFAOYSA-N 1 1 421.419 4.447 50 0 HIAAMO COc1ccc(CC[N@@H+](C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1OC ZINC000019300996 558866583 /nfs/dbraw/zinc/86/65/83/558866583.db2.gz VHVOLHYPPZBMHM-UHFFFAOYSA-N 1 1 421.419 4.447 50 0 HIAAMO O=C(c1cnc(N2CCCCC2)c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000033073159 558867373 /nfs/dbraw/zinc/86/73/73/558867373.db2.gz HLOBHNHPLGTTOV-UHFFFAOYSA-N 1 1 414.553 4.183 50 0 HIAAMO CCOc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(OC)cc3)C2)ccc1O ZINC000055088932 558871806 /nfs/dbraw/zinc/87/18/06/558871806.db2.gz VSRGWTIECIMDKK-QFIPXVFZSA-N 1 1 412.574 4.186 50 0 HIAAMO Cc1ccc(C)c(-n2cc(C[NH+]3CCN(c4ncccn4)CC3)c(-c3ccccc3)n2)c1 ZINC000055100352 558872684 /nfs/dbraw/zinc/87/26/84/558872684.db2.gz KWOXQZAJJLROHG-UHFFFAOYSA-N 1 1 424.552 4.268 50 0 HIAAMO Cn1cc(C[NH+]2CCN(c3cnccn3)CC2)c(-c2ccc(C3CCCCC3)cc2)n1 ZINC000055118873 558873000 /nfs/dbraw/zinc/87/30/00/558873000.db2.gz MPMRJOJZKRGHMK-UHFFFAOYSA-N 1 1 416.573 4.247 50 0 HIAAMO Cc1ccc(-n2cc(C[NH+]3CCN(c4cnccn4)CC3)c(-c3cccc(C)c3)n2)cc1 ZINC000055199334 558875702 /nfs/dbraw/zinc/87/57/02/558875702.db2.gz DPJDBMLUODLRLZ-UHFFFAOYSA-N 1 1 424.552 4.268 50 0 HIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1c2ccccc2CCc2ccccc21 ZINC000019371175 558879010 /nfs/dbraw/zinc/87/90/10/558879010.db2.gz HYQPVWVCJRPOSK-UHFFFAOYSA-N 1 1 411.549 4.268 50 0 HIAAMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@](O)(c1ccco1)C(F)(F)F ZINC000057997273 558893795 /nfs/dbraw/zinc/89/37/95/558893795.db2.gz SXMWZEAPKSSKDA-HRAATJIYSA-N 1 1 424.463 4.110 50 0 HIAAMO CC[C@@H]1CCC[N@@H+]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000004687593 558898117 /nfs/dbraw/zinc/89/81/17/558898117.db2.gz VCUIYULEBNLWBE-LZAZYHHXSA-N 1 1 407.539 4.334 50 0 HIAAMO CC[C@@H]1CCC[N@H+]1CNC(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000004687593 558898119 /nfs/dbraw/zinc/89/81/19/558898119.db2.gz VCUIYULEBNLWBE-LZAZYHHXSA-N 1 1 407.539 4.334 50 0 HIAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Oc4ccccc4)c3)oc2C)C1 ZINC000072457823 558983017 /nfs/dbraw/zinc/98/30/17/558983017.db2.gz HKUWJTOQQSOFHU-LJQANCHMSA-N 1 1 405.498 4.400 50 0 HIAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@@H+]1C[C@H](O)[C@@H](OC(C)C)C1 ZINC000072474818 558983743 /nfs/dbraw/zinc/98/37/43/558983743.db2.gz ULFBQLLCUUAYND-GOTSBHOMSA-N 1 1 408.498 4.412 50 0 HIAAMO Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1C[N@H+]1C[C@H](O)[C@@H](OC(C)C)C1 ZINC000072474818 558983746 /nfs/dbraw/zinc/98/37/46/558983746.db2.gz ULFBQLLCUUAYND-GOTSBHOMSA-N 1 1 408.498 4.412 50 0 HIAAMO Cc1c(Cl)cccc1NC(=S)N[C@@H](C)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031346 558985322 /nfs/dbraw/zinc/98/53/22/558985322.db2.gz XZTFFADPXVZPGM-UWJYYQICSA-N 1 1 417.022 4.312 50 0 HIAAMO Cc1c(Cl)cccc1NC(=S)N[C@@H](C)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022031354 558985492 /nfs/dbraw/zinc/98/54/92/558985492.db2.gz XZTFFADPXVZPGM-LAUBAEHRSA-N 1 1 417.022 4.312 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000033268821 558993262 /nfs/dbraw/zinc/99/32/62/558993262.db2.gz AAUBVBPGGJLHRQ-UHFFFAOYSA-N 1 1 405.523 4.275 50 0 HIAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3cc(C)sc3n2)cc1 ZINC000033268821 558993263 /nfs/dbraw/zinc/99/32/63/558993263.db2.gz AAUBVBPGGJLHRQ-UHFFFAOYSA-N 1 1 405.523 4.275 50 0 HIAAMO Cc1c2cc(C)cc(Cl)c2oc1C(=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000076916002 558998031 /nfs/dbraw/zinc/99/80/31/558998031.db2.gz XASISKZXGFNBJI-KRWDZBQOSA-N 1 1 404.938 4.420 50 0 HIAAMO Cc1ccc2[nH]nc(C(=O)N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3F)C4)c2c1 ZINC000077387107 559003336 /nfs/dbraw/zinc/00/33/36/559003336.db2.gz LTFCWMZERYFMCR-XMMPIXPASA-N 1 1 406.505 4.139 50 0 HIAAMO Cc1ccc2n[nH]c(C(=O)N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3F)C4)c2c1 ZINC000077387107 559003340 /nfs/dbraw/zinc/00/33/40/559003340.db2.gz LTFCWMZERYFMCR-XMMPIXPASA-N 1 1 406.505 4.139 50 0 HIAAMO Cc1ccc2n[nH]c(C(=O)N3CC[C@]4(C3)CCC[N@@H+](Cc3ccccc3F)C4)c2c1 ZINC000077387107 559003342 /nfs/dbraw/zinc/00/33/42/559003342.db2.gz LTFCWMZERYFMCR-XMMPIXPASA-N 1 1 406.505 4.139 50 0 HIAAMO C[N@@H+](CCNC(=O)c1ccc(-c2nc(-c3ccccc3)no2)cc1)C1CCCCC1 ZINC000033278933 559042307 /nfs/dbraw/zinc/04/23/07/559042307.db2.gz OTUUZJWRDJVQSQ-UHFFFAOYSA-N 1 1 404.514 4.398 50 0 HIAAMO O=C(NCc1ccccc1F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023306881 559110367 /nfs/dbraw/zinc/11/03/67/559110367.db2.gz QDMSNSKPGJCRDG-UHFFFAOYSA-N 1 1 403.501 4.443 50 0 HIAAMO O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247741067 559114551 /nfs/dbraw/zinc/11/45/51/559114551.db2.gz OAKOVNVYZPJBSD-PMVMPFDFSA-N 1 1 409.526 4.050 50 0 HIAAMO O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000247741064 559114615 /nfs/dbraw/zinc/11/46/15/559114615.db2.gz OAKOVNVYZPJBSD-ACIOBRDBSA-N 1 1 409.526 4.050 50 0 HIAAMO Cc1ccc(NC(=O)COc2ccc(C[NH2+]Cc3nc4ccccc4[nH]3)cc2)cc1 ZINC000113397959 559180409 /nfs/dbraw/zinc/18/04/09/559180409.db2.gz SLRMBYBOOPDVMJ-UHFFFAOYSA-N 1 1 400.482 4.179 50 0 HIAAMO COc1ccc2cc3cc(C(=O)NCCC[N@@H+](C)Cc4ccccc4)oc3nc2c1 ZINC000004908197 559201006 /nfs/dbraw/zinc/20/10/06/559201006.db2.gz QRDPAWUZPNKEQZ-UHFFFAOYSA-N 1 1 403.482 4.242 50 0 HIAAMO COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(OC)c1 ZINC000408518253 559213481 /nfs/dbraw/zinc/21/34/81/559213481.db2.gz XYAKTNPSOVVAQW-QPPBQGQZSA-N 1 1 422.569 4.322 50 0 HIAAMO Cn1nc(-c2ccccc2F)c2cc(C(=O)NCC[N@@H+](C)C3CCCCC3)sc21 ZINC000005034059 559231772 /nfs/dbraw/zinc/23/17/72/559231772.db2.gz CFFSUAXOCBCNMB-UHFFFAOYSA-N 1 1 414.550 4.435 50 0 HIAAMO COc1ccc(CCNc2[nH+]cnc3c2c(C)c(C)n3Cc2ccco2)cc1OC ZINC000005321697 560568302 /nfs/dbraw/zinc/56/83/02/560568302.db2.gz WKCXPAJHIVQEJR-UHFFFAOYSA-N 1 1 406.486 4.361 50 0 HIAAMO Cc1c2cc(Br)ccc2[nH]c1C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000526052355 560639668 /nfs/dbraw/zinc/63/96/68/560639668.db2.gz BHJAVPVHIGROFR-KSSFIOAISA-N 1 1 404.352 4.233 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000103969841 560845605 /nfs/dbraw/zinc/84/56/05/560845605.db2.gz ROQBXNNDLPFNFX-ZOCZFRKYSA-N 1 1 400.494 4.246 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 ZINC000103969841 560845606 /nfs/dbraw/zinc/84/56/06/560845606.db2.gz ROQBXNNDLPFNFX-ZOCZFRKYSA-N 1 1 400.494 4.246 50 0 HIAAMO O=C(CCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1)N1CCCC1 ZINC000012056722 560888005 /nfs/dbraw/zinc/88/80/05/560888005.db2.gz BXWLSBQHWZDTKJ-UHFFFAOYSA-N 1 1 402.926 4.005 50 0 HIAAMO Cc1nc(CN2CCC(C(=O)Nc3ccc4nc(C5CCC5)[nH]c4c3)CC2)cs1 ZINC000111038239 560891651 /nfs/dbraw/zinc/89/16/51/560891651.db2.gz FFJZDHAEEILSBC-UHFFFAOYSA-N 1 1 409.559 4.446 50 0 HIAAMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc4[nH]c(C5CCC5)nc4c3)CC2)cs1 ZINC000111038239 560891653 /nfs/dbraw/zinc/89/16/53/560891653.db2.gz FFJZDHAEEILSBC-UHFFFAOYSA-N 1 1 409.559 4.446 50 0 HIAAMO CCC[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000107052496 560895020 /nfs/dbraw/zinc/89/50/20/560895020.db2.gz ZEBNWDZUHSRAOK-ZWKOTPCHSA-N 1 1 415.603 4.423 50 0 HIAAMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2nc(-c3ccccc3)sc2n1 ZINC000046032302 568424703 /nfs/dbraw/zinc/42/47/03/568424703.db2.gz MXMAELGKYZODGL-UHFFFAOYSA-N 1 1 420.538 4.239 50 0 HIAAMO C[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000047715765 568430907 /nfs/dbraw/zinc/43/09/07/568430907.db2.gz LDOIETSPTNBDSV-CQSZACIVSA-N 1 1 408.876 4.166 50 0 HIAAMO C[C@@H](Oc1ccc(F)cc1Br)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000048237043 568433092 /nfs/dbraw/zinc/43/30/92/568433092.db2.gz PCMKHSHIQMIDNP-HUUCEWRRSA-N 1 1 415.347 4.126 50 0 HIAAMO CSc1nccn1-c1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000048354995 568441452 /nfs/dbraw/zinc/44/14/52/568441452.db2.gz SAYUESXWLJGTPP-UHFFFAOYSA-N 1 1 403.511 4.018 50 0 HIAAMO Cn1cccc1[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)[N@@H+]1CCc2ccccc2C1 ZINC000021151510 568462080 /nfs/dbraw/zinc/46/20/80/568462080.db2.gz UAXLVQFKRZUIGM-XTOQWRRBSA-N 1 1 417.597 4.457 50 0 HIAAMO Cn1cccc1[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)[N@H+]1CCc2ccccc2C1 ZINC000021151510 568462082 /nfs/dbraw/zinc/46/20/82/568462082.db2.gz UAXLVQFKRZUIGM-XTOQWRRBSA-N 1 1 417.597 4.457 50 0 HIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 ZINC000021673213 568466728 /nfs/dbraw/zinc/46/67/28/568466728.db2.gz NDQPOIQOHZXPOX-NRFANRHFSA-N 1 1 410.514 4.412 50 0 HIAAMO CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000012327849 568472011 /nfs/dbraw/zinc/47/20/11/568472011.db2.gz OGCZGBGWOGXSLB-NRFANRHFSA-N 1 1 407.558 4.164 50 0 HIAAMO CCOc1c(Br)cc(CNC[C@H]2CCC[N@@H+]2CC)cc1Br ZINC000022936941 568500726 /nfs/dbraw/zinc/50/07/26/568500726.db2.gz LLHATQDLIYDIRO-CYBMUJFWSA-N 1 1 420.189 4.184 50 0 HIAAMO CCOc1c(Br)cc(CNC[C@H]2CCC[N@H+]2CC)cc1Br ZINC000022936941 568500728 /nfs/dbraw/zinc/50/07/28/568500728.db2.gz LLHATQDLIYDIRO-CYBMUJFWSA-N 1 1 420.189 4.184 50 0 HIAAMO CCCC[N@H+]1CCc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)[nH]c(=O)c2C1 ZINC000020467813 568610654 /nfs/dbraw/zinc/61/06/54/568610654.db2.gz WZLKIJDWXQDSEL-UHFFFAOYSA-N 1 1 420.966 4.033 50 0 HIAAMO COC(=O)c1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020513479 568622187 /nfs/dbraw/zinc/62/21/87/568622187.db2.gz FJQNUWJGCKZZPZ-UHFFFAOYSA-N 1 1 414.505 4.021 50 0 HIAAMO c1c(C[NH+]2CCN(Cc3ccccn3)CC2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000095469737 568626017 /nfs/dbraw/zinc/62/60/17/568626017.db2.gz PNGHNPRUKFKOFW-UHFFFAOYSA-N 1 1 409.537 4.252 50 0 HIAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000225504699 568644141 /nfs/dbraw/zinc/64/41/41/568644141.db2.gz WSSLPTABKIHBLQ-GFCCVEGCSA-N 1 1 417.884 4.457 50 0 HIAAMO CCOc1ccccc1NC(=O)NCc1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020927240 568651567 /nfs/dbraw/zinc/65/15/67/568651567.db2.gz BQIFMKALOPBUNY-UHFFFAOYSA-N 1 1 410.543 4.247 50 0 HIAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000020933633 568652093 /nfs/dbraw/zinc/65/20/93/568652093.db2.gz VWLADNDPMFUYNO-FQEVSTJZSA-N 1 1 405.546 4.047 50 0 HIAAMO CC(C)C[C@@H]([NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C ZINC000095940752 568661826 /nfs/dbraw/zinc/66/18/26/568661826.db2.gz XJZJKPKBOLGLJI-LJQANCHMSA-N 1 1 408.970 4.291 50 0 HIAAMO CC[N@@H+](CC(=O)N[C@H](C)c1cccs1)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000225670393 568662488 /nfs/dbraw/zinc/66/24/88/568662488.db2.gz QKQJGCGHXVYPIF-IAGOWNOFSA-N 1 1 409.596 4.037 50 0 HIAAMO CC(C)[S@@](=O)c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000225758985 568671805 /nfs/dbraw/zinc/67/18/05/568671805.db2.gz MTFBKAWOTQJTNJ-PZGXJGMVSA-N 1 1 412.599 4.233 50 0 HIAAMO C[C@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227156220 568699567 /nfs/dbraw/zinc/69/95/67/568699567.db2.gz TXXYCCYHVIPQLF-QLFBSQMISA-N 1 1 420.351 4.200 50 0 HIAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(OC)cc32)c2ccccc2F)CC1 ZINC000096275640 568714623 /nfs/dbraw/zinc/71/46/23/568714623.db2.gz GZYCYTGYTOXPJD-LJQANCHMSA-N 1 1 409.505 4.002 50 0 HIAAMO C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000013988283 568719545 /nfs/dbraw/zinc/71/95/45/568719545.db2.gz WXWDNSFQAZMDED-NVXWUHKLSA-N 1 1 423.538 4.082 50 0 HIAAMO C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc2c(c1)OCO2 ZINC000013988283 568719546 /nfs/dbraw/zinc/71/95/46/568719546.db2.gz WXWDNSFQAZMDED-NVXWUHKLSA-N 1 1 423.538 4.082 50 0 HIAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1Br ZINC000012420327 568720318 /nfs/dbraw/zinc/72/03/18/568720318.db2.gz FHWCVDLJGBHESL-MBNYWOFBSA-N 1 1 421.173 4.214 50 0 HIAAMO Cc1cc2[nH]c(C(=O)Nc3cc(F)c(F)cc3F)c(C[NH+]3CCOCC3)c2s1 ZINC000096363824 568739677 /nfs/dbraw/zinc/73/96/77/568739677.db2.gz RPGVKKDEGMZQQC-UHFFFAOYSA-N 1 1 409.433 4.040 50 0 HIAAMO Cn1c(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)nc2ccccc21 ZINC000247961240 568746193 /nfs/dbraw/zinc/74/61/93/568746193.db2.gz DXBQZSCDNZKPNL-OAHLLOKOSA-N 1 1 416.447 4.443 50 0 HIAAMO Cn1c(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3C(F)(F)F)C2)nc2ccccc21 ZINC000247961240 568746195 /nfs/dbraw/zinc/74/61/95/568746195.db2.gz DXBQZSCDNZKPNL-OAHLLOKOSA-N 1 1 416.447 4.443 50 0 HIAAMO Cn1c(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2ccccc21 ZINC000248083302 568747104 /nfs/dbraw/zinc/74/71/04/568747104.db2.gz QSPLUSNXIBZLRT-HNNXBMFYSA-N 1 1 416.447 4.443 50 0 HIAAMO Cn1c(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)C2)nc2ccccc21 ZINC000248083302 568747105 /nfs/dbraw/zinc/74/71/05/568747105.db2.gz QSPLUSNXIBZLRT-HNNXBMFYSA-N 1 1 416.447 4.443 50 0 HIAAMO CC(C)n1c(C[NH+]2CCC(C(=O)NCCc3ccccc3)CC2)nc2ccccc21 ZINC000248180485 568748145 /nfs/dbraw/zinc/74/81/45/568748145.db2.gz YIWCXFVSXIFUAE-UHFFFAOYSA-N 1 1 404.558 4.188 50 0 HIAAMO CC[N@@H+](CCNc1ncnc2onc(-c3cc(F)cc(F)c3)c21)Cc1ccccc1 ZINC000021714753 568748901 /nfs/dbraw/zinc/74/89/01/568748901.db2.gz ICSYDKMFPDCCBD-UHFFFAOYSA-N 1 1 409.440 4.497 50 0 HIAAMO Cc1ccc(Nc2cc(N3CCN(C(=O)c4ccccc4Cl)CC3)nc(C)[nH+]2)cc1 ZINC000021793944 568753145 /nfs/dbraw/zinc/75/31/45/568753145.db2.gz NRRUDNRCIUSKDG-UHFFFAOYSA-N 1 1 421.932 4.453 50 0 HIAAMO CC(=O)CCc1ccc(OCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000057156131 568824733 /nfs/dbraw/zinc/82/47/33/568824733.db2.gz LCTJWVKIYUPOMY-UHFFFAOYSA-N 1 1 409.555 4.019 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000057369566 568829723 /nfs/dbraw/zinc/82/97/23/568829723.db2.gz YINFPSXIVHPCDX-SFHVURJKSA-N 1 1 419.550 4.485 50 0 HIAAMO O=C(C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(N2CCCC2=O)cc1 ZINC000057369566 568829724 /nfs/dbraw/zinc/82/97/24/568829724.db2.gz YINFPSXIVHPCDX-SFHVURJKSA-N 1 1 419.550 4.485 50 0 HIAAMO O=C(C[NH2+][C@H](c1cccs1)c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 ZINC000057392110 568831558 /nfs/dbraw/zinc/83/15/58/568831558.db2.gz KPPKJEYLOAMWOB-QHCPKHFHSA-N 1 1 405.523 4.193 50 0 HIAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](O)C1 ZINC000057570840 568854082 /nfs/dbraw/zinc/85/40/82/568854082.db2.gz RHRDPIKOUPDNIA-MAUKXSAKSA-N 1 1 412.839 4.495 50 0 HIAAMO O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](O)C1 ZINC000057570840 568854084 /nfs/dbraw/zinc/85/40/84/568854084.db2.gz RHRDPIKOUPDNIA-MAUKXSAKSA-N 1 1 412.839 4.495 50 0 HIAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@H+]1Cc1cccc(Cl)c1 ZINC000299772327 568874296 /nfs/dbraw/zinc/87/42/96/568874296.db2.gz YMZWEPMVFXUPFD-UXHICEINSA-N 1 1 404.938 4.493 50 0 HIAAMO O=C(NC1CC1)[C@@H]1C[C@@H](Sc2ccc(F)cc2)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000299772327 568874299 /nfs/dbraw/zinc/87/42/99/568874299.db2.gz YMZWEPMVFXUPFD-UXHICEINSA-N 1 1 404.938 4.493 50 0 HIAAMO O=S(=O)(NC[C@@H](c1ccccc1)[N@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000058085730 568883835 /nfs/dbraw/zinc/88/38/35/568883835.db2.gz FFVOBKGPNCGMEG-VWLOTQADSA-N 1 1 418.562 4.496 50 0 HIAAMO O=S(=O)(NC[C@@H](c1ccccc1)[N@@H+]1CC=C(c2ccccc2)CC1)c1ccccc1 ZINC000058085730 568883836 /nfs/dbraw/zinc/88/38/36/568883836.db2.gz FFVOBKGPNCGMEG-VWLOTQADSA-N 1 1 418.562 4.496 50 0 HIAAMO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(C(=O)Nc4ccccc4)cc3)CC2)cc1 ZINC000058442190 568919415 /nfs/dbraw/zinc/91/94/15/568919415.db2.gz ZRFDCHLDMAGNMB-UHFFFAOYSA-N 1 1 413.521 4.464 50 0 HIAAMO C[C@@H]1CCN(C(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c2ccccc2S1 ZINC000008230664 568983943 /nfs/dbraw/zinc/98/39/43/568983943.db2.gz KDKFYXQYQSOJAO-GOSISDBHSA-N 1 1 423.582 4.255 50 0 HIAAMO COc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000008324554 568990929 /nfs/dbraw/zinc/99/09/29/568990929.db2.gz NNFIBBMKHCHWOC-DEOSSOPVSA-N 1 1 405.542 4.453 50 0 HIAAMO CCc1cc([C@@H](c2ccccc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546438 569000262 /nfs/dbraw/zinc/00/02/62/569000262.db2.gz FDJQUZWIZKLKKV-OAQYLSRUSA-N 1 1 409.555 4.493 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000012947724 569029303 /nfs/dbraw/zinc/02/93/03/569029303.db2.gz ROQBXNNDLPFNFX-QYWGDWMGSA-N 1 1 400.494 4.246 50 0 HIAAMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000012947724 569029304 /nfs/dbraw/zinc/02/93/04/569029304.db2.gz ROQBXNNDLPFNFX-QYWGDWMGSA-N 1 1 400.494 4.246 50 0 HIAAMO Cc1ccc(NC(=O)CSc2nc(C[NH+](C)C)nc3ccccc32)c(Cl)c1 ZINC000012979697 569042704 /nfs/dbraw/zinc/04/27/04/569042704.db2.gz TWEXEMNFFNTJHN-UHFFFAOYSA-N 1 1 400.935 4.384 50 0 HIAAMO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000013001885 569049210 /nfs/dbraw/zinc/04/92/10/569049210.db2.gz UJGHZLPVKRBIMZ-CRAIPNDOSA-N 1 1 421.335 4.153 50 0 HIAAMO CC(C)n1c2ccccc2nc1[C@@H](C)[NH2+][C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000241846609 569054905 /nfs/dbraw/zinc/05/49/05/569054905.db2.gz SMEQSIAYBSXUKS-AOIWGVFYSA-N 1 1 406.530 4.296 50 0 HIAAMO CC(=O)c1cccc(O[C@H](C)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000089420075 569060116 /nfs/dbraw/zinc/06/01/16/569060116.db2.gz FFYYNQPIBDUSQY-XRODADMRSA-N 1 1 420.553 4.170 50 0 HIAAMO COc1ccc(C[N@@H+](CCC(C)C)C[C@@H](O)COCc2ccccc2)cc1OC ZINC000036096108 569089665 /nfs/dbraw/zinc/08/96/65/569089665.db2.gz TWRUNRIDYLVZSQ-JOCHJYFZSA-N 1 1 401.547 4.130 50 0 HIAAMO COc1cccc(C[N@@H+](CCC(C)C)C[C@H](O)COCc2ccccc2)c1OC ZINC000036097275 569090220 /nfs/dbraw/zinc/09/02/20/569090220.db2.gz AWDYQYSRDZHKHL-QFIPXVFZSA-N 1 1 401.547 4.130 50 0 HIAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccs2)Cc2ccc(F)cc2)cc1 ZINC000036103528 569092086 /nfs/dbraw/zinc/09/20/86/569092086.db2.gz XAOVYEFVHVETSC-IBGZPJMESA-N 1 1 401.503 4.338 50 0 HIAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccs2)Cc2ccc(F)cc2)cc1 ZINC000036103526 569092228 /nfs/dbraw/zinc/09/22/28/569092228.db2.gz XAOVYEFVHVETSC-LJQANCHMSA-N 1 1 401.503 4.338 50 0 HIAAMO Cc1cc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nc(N2CCOCC2)[nH+]1 ZINC000064801343 569096983 /nfs/dbraw/zinc/09/69/83/569096983.db2.gz YADJNMZGCHVESJ-UHFFFAOYSA-N 1 1 422.464 4.148 50 0 HIAAMO Cc1cc(Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(N2CCCCC2)[nH+]1 ZINC000064801864 569097951 /nfs/dbraw/zinc/09/79/51/569097951.db2.gz OKTPFHJNLAVAOH-UHFFFAOYSA-N 1 1 423.542 4.320 50 0 HIAAMO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@@H+](CCC(C)C)C[C@H](O)COC ZINC000036249760 569119219 /nfs/dbraw/zinc/11/92/19/569119219.db2.gz ANAKONFSWNVVDB-FQEVSTJZSA-N 1 1 421.557 4.182 50 0 HIAAMO COC[C@H](O)C[N@@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C(C)C ZINC000036301598 569128011 /nfs/dbraw/zinc/12/80/11/569128011.db2.gz XAUYJQZGQUGYLQ-HXUWFJFHSA-N 1 1 409.530 4.097 50 0 HIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1OC)C[C@@H](C)O ZINC000036305906 569129689 /nfs/dbraw/zinc/12/96/89/569129689.db2.gz OXGGICMHJMKDEE-GOSISDBHSA-N 1 1 409.530 4.481 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000006846063 569153668 /nfs/dbraw/zinc/15/36/68/569153668.db2.gz MYLQMGNWRSZRBE-VJTSUQJLSA-N 1 1 424.541 4.011 50 0 biogenic HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(OC)cc2)cc1 ZINC000006846063 569153669 /nfs/dbraw/zinc/15/36/69/569153669.db2.gz MYLQMGNWRSZRBE-VJTSUQJLSA-N 1 1 424.541 4.011 50 0 biogenic HIAAMO COc1ccc(NC(=O)N2CCC(C[N@H+]3CCc4ccccc4C3)CC2)cc1OC ZINC000006877311 569164058 /nfs/dbraw/zinc/16/40/58/569164058.db2.gz VQACVTHOZCHXPA-UHFFFAOYSA-N 1 1 409.530 4.006 50 0 HIAAMO COc1ccc(NC(=O)N2CCC[C@@H](C[N@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000006877386 569164241 /nfs/dbraw/zinc/16/42/41/569164241.db2.gz CMUHIQSDLUAMIZ-SFHVURJKSA-N 1 1 409.530 4.006 50 0 HIAAMO CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000036398848 569171783 /nfs/dbraw/zinc/17/17/83/569171783.db2.gz AVOWQVMEVISWRV-AVRDEDQJSA-N 1 1 408.542 4.425 50 0 HIAAMO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 ZINC000036398848 569171782 /nfs/dbraw/zinc/17/17/82/569171782.db2.gz AVOWQVMEVISWRV-AVRDEDQJSA-N 1 1 408.542 4.425 50 0 HIAAMO C[N@@H+](CCCNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1)C1CCCCC1 ZINC000006939893 569185588 /nfs/dbraw/zinc/18/55/88/569185588.db2.gz FHXZRLRSEGERFE-UHFFFAOYSA-N 1 1 423.536 4.187 50 0 HIAAMO Cc1cccc(NC(=O)C[NH+]2CCC(c3nc(-c4cccc(F)c4)no3)CC2)c1C ZINC000065184148 569191217 /nfs/dbraw/zinc/19/12/17/569191217.db2.gz GTQVZWIRZPMKHI-UHFFFAOYSA-N 1 1 408.477 4.311 50 0 HIAAMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)NCCc1c[nH]c2ccccc12 ZINC000006978794 569192522 /nfs/dbraw/zinc/19/25/22/569192522.db2.gz ZTMLZGIAGBYTOP-UHFFFAOYSA-N 1 1 418.566 4.316 50 0 HIAAMO CC(=O)Nc1ccc(NC(=O)c2cc3c(n2C)CC[N@@H+](Cc2ccc(C)cc2)C3)cc1 ZINC000065210895 569196222 /nfs/dbraw/zinc/19/62/22/569196222.db2.gz AMPZRZRWOXPUQM-UHFFFAOYSA-N 1 1 416.525 4.103 50 0 HIAAMO CC(=O)Nc1ccc(NC(=O)c2cc3c(n2C)CC[N@H+](Cc2ccc(C)cc2)C3)cc1 ZINC000065210895 569196224 /nfs/dbraw/zinc/19/62/24/569196224.db2.gz AMPZRZRWOXPUQM-UHFFFAOYSA-N 1 1 416.525 4.103 50 0 HIAAMO CCC[NH+]1CCN(C(=O)c2cc(-c3ccncc3)cn2Cc2ccc(C)cc2)CC1 ZINC000065209773 569196468 /nfs/dbraw/zinc/19/64/68/569196468.db2.gz PQLKSQSAMNLUQB-UHFFFAOYSA-N 1 1 402.542 4.075 50 0 HIAAMO CC[N@@H+](CCNC(=O)Nc1cn(CC(C)C)c(=O)c2ccccc12)Cc1ccccc1 ZINC000007001241 569198787 /nfs/dbraw/zinc/19/87/87/569198787.db2.gz BBTJHLCHRWJLDS-UHFFFAOYSA-N 1 1 420.557 4.301 50 0 HIAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000036556783 569199176 /nfs/dbraw/zinc/19/91/76/569199176.db2.gz PIVDIKKSTPKCDY-AEFFLSMTSA-N 1 1 406.555 4.252 50 0 HIAAMO COc1ccc(C(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c2ccc(OC)cc2)cc1 ZINC000007015465 569200885 /nfs/dbraw/zinc/20/08/85/569200885.db2.gz LWBUFIVLKKMBJZ-JOCHJYFZSA-N 1 1 413.558 4.435 50 0 HIAAMO CCCn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)COc3ccccc3)ccc21 ZINC000065322225 569224464 /nfs/dbraw/zinc/22/44/64/569224464.db2.gz ATSNFWYVWDHRET-UHFFFAOYSA-N 1 1 406.530 4.450 50 0 HIAAMO O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000007443361 569239261 /nfs/dbraw/zinc/23/92/61/569239261.db2.gz AZPYJGNJGKSHAJ-OAQYLSRUSA-N 1 1 419.550 4.454 50 0 HIAAMO O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000007443361 569239262 /nfs/dbraw/zinc/23/92/62/569239262.db2.gz AZPYJGNJGKSHAJ-OAQYLSRUSA-N 1 1 419.550 4.454 50 0 HIAAMO Cc1nn(C(F)F)c(C)c1CC(=O)OC[C@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000170609305 569245019 /nfs/dbraw/zinc/24/50/19/569245019.db2.gz DHMLLPLZMLGYKB-VFNWGFHPSA-N 1 1 409.452 4.156 50 0 HIAAMO CC(C)Oc1cc(Br)ccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000089887971 569267732 /nfs/dbraw/zinc/26/77/32/569267732.db2.gz BRTRQCKQXGUAQK-HNAYVOBHSA-N 1 1 421.379 4.325 50 0 HIAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)CCCc3ccccc3)CC2)[nH+]1 ZINC000017012182 569271421 /nfs/dbraw/zinc/27/14/21/569271421.db2.gz VQAANPVTCRKHDG-UHFFFAOYSA-N 1 1 415.541 4.200 50 0 HIAAMO Cc1ccc(C)c(NC(=O)N2CCN(c3nc(Nc4ccccc4)cc(C)[nH+]3)CC2)c1 ZINC000017026401 569271872 /nfs/dbraw/zinc/27/18/72/569271872.db2.gz DYSCTAAQYXGRCH-UHFFFAOYSA-N 1 1 416.529 4.500 50 0 HIAAMO COc1ccccc1N1CC[NH+](C2CCN(Cc3cc4ccccc4o3)CC2)CC1 ZINC000252483094 569289206 /nfs/dbraw/zinc/28/92/06/569289206.db2.gz DUWJDKNQIFBGSR-UHFFFAOYSA-N 1 1 405.542 4.228 50 0 HIAAMO COc1ccc([C@@H]2c3cc4c(cc3O[C@](C)([NH+]3CCCC3)[C@@H]2C)OCO4)c(OC)c1 ZINC000017729542 569357191 /nfs/dbraw/zinc/35/71/91/569357191.db2.gz CXJCSMSERSADKZ-PQRODAJWSA-N 1 1 411.498 4.405 50 0 HIAAMO CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC)c(OC)c1)[NH2+]C2 ZINC000055008572 569375239 /nfs/dbraw/zinc/37/52/39/569375239.db2.gz RIKATKKPDIAHGU-DEOSSOPVSA-N 1 1 408.498 4.485 50 0 HIAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2nc(-c3ccccc3)c3ccccc32)C1 ZINC000013369585 569412647 /nfs/dbraw/zinc/41/26/47/569412647.db2.gz BELAQFGKSPUPNO-BGYRXZFFSA-N 1 1 404.558 4.188 50 0 HIAAMO O=C(CSc1ccncc1)N1CC[C@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000019227581 569414489 /nfs/dbraw/zinc/41/44/89/569414489.db2.gz XHSSTOJMHBPDBM-XMMPIXPASA-N 1 1 409.599 4.121 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000079192781 569429313 /nfs/dbraw/zinc/42/93/13/569429313.db2.gz IFBCSZDQJPTZEC-JTHBVZDNSA-N 1 1 416.521 4.454 50 0 HIAAMO CCc1cc([C@H](c2ccncc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880756 569432988 /nfs/dbraw/zinc/43/29/88/569432988.db2.gz WOBSZFQZAWVEOF-QFIPXVFZSA-N 1 1 420.582 4.295 50 0 HIAAMO Cc1cc2sc(N3CCC[C@H](C(=O)NCC[N@@H+]4CCCC[C@H]4C)C3)nc2c(C)c1 ZINC000245276814 571222307 /nfs/dbraw/zinc/22/23/07/571222307.db2.gz WSCQJELSEOAECD-MOPGFXCFSA-N 1 1 414.619 4.120 50 0 HIAAMO CCN(Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCCC1 ZINC000012308238 845867327 /nfs/dbraw/zinc/86/73/27/845867327.db2.gz MCNKDPHYQQZDLF-DEOSSOPVSA-N 1 1 411.590 4.108 50 0 HIAAMO CCN(Cc1ccncc1)Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1 ZINC000012308238 845867330 /nfs/dbraw/zinc/86/73/30/845867330.db2.gz MCNKDPHYQQZDLF-DEOSSOPVSA-N 1 1 411.590 4.108 50 0 HIAAMO COCCN(Cc1ccc(OC)c(C)c1)C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012585451 845877603 /nfs/dbraw/zinc/87/76/03/845877603.db2.gz APKZKSYCHKLABJ-HSZRJFAPSA-N 1 1 422.613 4.331 50 0 HIAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)N(C)C)C[N@H+](Cc3ccc4ccccc4c3)C2)cn1 ZINC000014535130 845956515 /nfs/dbraw/zinc/95/65/15/845956515.db2.gz YVWNTTNZOLQDLJ-XUZZJYLKSA-N 1 1 417.553 4.149 50 0 HIAAMO CN(C)c1cccc(C(=O)N2CCC[C@@H]3C[N@@H+](C/C=C/c4ccccc4)CC[C@H]32)c1 ZINC000015000787 845998052 /nfs/dbraw/zinc/99/80/52/845998052.db2.gz VNQKWXXSQPTZJR-RHZAOYSNSA-N 1 1 403.570 4.393 50 0 HIAAMO CSCc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)o1 ZINC000015065593 846005208 /nfs/dbraw/zinc/00/52/08/846005208.db2.gz PKIOTSXPXJPKGN-JOCHJYFZSA-N 1 1 402.535 4.410 50 0 HIAAMO O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019300288 846362174 /nfs/dbraw/zinc/36/21/74/846362174.db2.gz BCXXWMWAYGZWPE-UHFFFAOYSA-N 1 1 422.532 4.497 50 0 HIAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1c[nH]nc1C1CCCCC1)CC2)[C@@H]1CCCO1 ZINC000019334670 846363352 /nfs/dbraw/zinc/36/33/52/846363352.db2.gz OSHXKYKBJHYZLV-QFIPXVFZSA-N 1 1 408.546 4.133 50 0 HIAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1c[nH]nc1C1CCCCC1)CC2)[C@@H]1CCCO1 ZINC000019334670 846363365 /nfs/dbraw/zinc/36/33/65/846363365.db2.gz OSHXKYKBJHYZLV-QFIPXVFZSA-N 1 1 408.546 4.133 50 0 HIAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3-c3ccco3)C[C@@H]2CCO)c(F)c1 ZINC000020168299 846381350 /nfs/dbraw/zinc/38/13/50/846381350.db2.gz XUOYXLVCKRUOSL-NRFANRHFSA-N 1 1 424.516 4.163 50 0 HIAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@H+](C4CCSCC4)C3)CC2)c1 ZINC000020295698 846381959 /nfs/dbraw/zinc/38/19/59/846381959.db2.gz ILPKOUBFJPTYDT-FQEVSTJZSA-N 1 1 413.553 4.187 50 0 HIAAMO OCCOc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3-c3ccc(Cl)cc3)C2)cc1 ZINC000043056975 848379957 /nfs/dbraw/zinc/37/99/57/848379957.db2.gz DFFYTEKFCBRMON-LJQANCHMSA-N 1 1 411.933 4.481 50 0 HIAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CCCC(F)(F)F)C3)C2)c1OC ZINC000055183144 849984474 /nfs/dbraw/zinc/98/44/74/849984474.db2.gz NTYQWRIBWUEJMS-FQEVSTJZSA-N 1 1 400.485 4.334 50 0 HIAAMO COc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(Cl)cc3)C2)ccc1O ZINC000055226294 849988937 /nfs/dbraw/zinc/98/89/37/849988937.db2.gz DAVPVVFUANJKSV-FQEVSTJZSA-N 1 1 402.966 4.441 50 0 HIAAMO Cc1occc1C(=O)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055283356 849996356 /nfs/dbraw/zinc/99/63/56/849996356.db2.gz IRKYTXOLOWERKR-IBGZPJMESA-N 1 1 421.463 4.034 50 0 HIAAMO O=C(/C=C\c1ccc(OCc2ccccn2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097044401 852577115 /nfs/dbraw/zinc/57/71/15/852577115.db2.gz BDDBVDQORAYHOF-KAMYIIQDSA-N 1 1 413.521 4.018 50 0 HIAAMO O=c1[nH]c(C=Cc2cnn(Cc3ccccc3)c2)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000098055774 852652311 /nfs/dbraw/zinc/65/23/11/852652311.db2.gz DLVXWDZIGMQEBE-QXMHVHEDSA-N 1 1 423.520 4.156 50 0 HIAAMO O=c1[nH]c(C=Cc2cnn(Cc3ccccc3)c2)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000098055774 852652316 /nfs/dbraw/zinc/65/23/16/852652316.db2.gz DLVXWDZIGMQEBE-QXMHVHEDSA-N 1 1 423.520 4.156 50 0 HIAAMO O=C(NC1CC1)c1ccccc1OC[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000169765278 853658630 /nfs/dbraw/zinc/65/86/30/853658630.db2.gz XARMDVBSAFNBKR-SFHVURJKSA-N 1 1 403.526 4.351 50 0 HIAAMO Cc1nc(C)c(C(=O)N2CCC3(CC2)C[C@H]([N@@H+](C)Cc2ccccc2)CCO3)s1 ZINC000169773932 853662015 /nfs/dbraw/zinc/66/20/15/853662015.db2.gz AWOSHCHMTURKOX-HXUWFJFHSA-N 1 1 413.587 4.046 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[NH2+][C@H](c3cc(OC)ccc3OC)[C@@H](C)[C@@](C)(O)[C@@H]2C)c1 ZINC000239433532 854155427 /nfs/dbraw/zinc/15/54/27/854155427.db2.gz XWCBTKHAFJFMOT-YRMKVAODSA-N 1 1 415.530 4.130 50 0 HIAAMO C[N@@H+]1CCc2c3ccccc3[nH]c2C12CCN(C(=O)c1ccc3ccccc3n1)CC2 ZINC000257183912 854234064 /nfs/dbraw/zinc/23/40/64/854234064.db2.gz HZULQSZJTMXJNO-UHFFFAOYSA-N 1 1 410.521 4.336 50 0 HIAAMO C[N@H+]1CCc2c3ccccc3[nH]c2C12CCN(C(=O)c1ccc3ccccc3n1)CC2 ZINC000257183912 854234069 /nfs/dbraw/zinc/23/40/69/854234069.db2.gz HZULQSZJTMXJNO-UHFFFAOYSA-N 1 1 410.521 4.336 50 0 HIAAMO CC(C)[N@H+]1C[C@H](Oc2ccccc2)[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000575557761 948679958 /nfs/dbraw/zinc/67/99/58/948679958.db2.gz JGGCHIARQFGALM-ZCYQVOJMSA-N 1 1 410.533 4.147 50 0 HIAAMO C[NH+]1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)CC1 ZINC000005215509 132304060 /nfs/dbraw/zinc/30/40/60/132304060.db2.gz NRMWCXKJCMZQEJ-UHFFFAOYSA-N 1 1 401.539 4.147 50 0 HIAAMO Cc1cccc2nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cn21 ZINC000029485988 524972844 /nfs/dbraw/zinc/97/28/44/524972844.db2.gz HNHRPUAWEGOSFC-UHFFFAOYSA-N 1 1 410.521 4.190 50 0 HIAAMO Cc1[nH]nc(-c2ccc(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc2O)c1-c1ccccc1 ZINC000020589436 525463182 /nfs/dbraw/zinc/46/31/82/525463182.db2.gz WKGNEVKIGSGPKY-IRXDYDNUSA-N 1 1 407.514 4.246 50 0 HIAAMO COc1cccc(-c2nc(CN3CC[NH+](Cc4cccs4)CC3)cs2)c1OC ZINC000032759675 525725709 /nfs/dbraw/zinc/72/57/09/525725709.db2.gz RQTKBLONSWABAD-UHFFFAOYSA-N 1 1 415.584 4.207 50 0 HIAAMO COc1cccc(C(=O)NC[C@H](c2ccsc2)[N@@H+]2CCc3ccccc3C2)c1OC ZINC000022766010 525820161 /nfs/dbraw/zinc/82/01/61/525820161.db2.gz MBBJBQAWKQWZIX-OAQYLSRUSA-N 1 1 422.550 4.295 50 0 HIAAMO COc1cccc(C(=O)NC[C@H](c2ccsc2)[N@H+]2CCc3ccccc3C2)c1OC ZINC000022766010 525820170 /nfs/dbraw/zinc/82/01/70/525820170.db2.gz MBBJBQAWKQWZIX-OAQYLSRUSA-N 1 1 422.550 4.295 50 0 HIAAMO O=C1C[C@@H]([NH+]2CCC(CCc3cc(F)cc(F)c3)CC2)C(=O)N1c1ccc(F)cc1 ZINC000004784506 557597782 /nfs/dbraw/zinc/59/77/82/557597782.db2.gz JTMCDOVKBWKCCP-OAQYLSRUSA-N 1 1 416.443 4.081 50 0 HIAAMO C[NH+]1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 ZINC000005064648 557633394 /nfs/dbraw/zinc/63/33/94/557633394.db2.gz IYVPFFFIJPIGDK-UHFFFAOYSA-N 1 1 408.505 4.351 50 0 HIAAMO CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)N1CC[NH+](C)CC1)c1ccccc1CC2 ZINC000032565723 558261397 /nfs/dbraw/zinc/26/13/97/558261397.db2.gz JHGXRJAFYGXXHM-UHFFFAOYSA-N 1 1 422.529 4.248 50 0 HIAAMO COc1ccc(F)c(-c2nc(C[NH+]3CCC(C(=O)N4CCCCC4)CC3)c(C)o2)c1 ZINC000011760501 558273350 /nfs/dbraw/zinc/27/33/50/558273350.db2.gz SKBDHIKOGZSQBG-UHFFFAOYSA-N 1 1 415.509 4.022 50 0 HIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)c(C)c1 ZINC000011814340 558278822 /nfs/dbraw/zinc/27/88/22/558278822.db2.gz NIDCJZUACYCXBI-QGZVFWFLSA-N 1 1 418.969 4.330 50 0 HIAAMO CCn1c2ccccc2nc1CN(C)CC1CC[NH+](CCc2ccccc2OC)CC1 ZINC000011820383 558283609 /nfs/dbraw/zinc/28/36/09/558283609.db2.gz MULNNVGUTLXXHZ-UHFFFAOYSA-N 1 1 420.601 4.451 50 0 HIAAMO CCCCc1nc(C[NH+]2CCC(CCC(=O)NCc3ccc(F)cc3)CC2)c[nH]1 ZINC000011820262 558283704 /nfs/dbraw/zinc/28/37/04/558283704.db2.gz VSJUAFBJEKRLFF-UHFFFAOYSA-N 1 1 400.542 4.200 50 0 HIAAMO O=C(NC[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000011838954 558285713 /nfs/dbraw/zinc/28/57/13/558285713.db2.gz YOFBFYBPYNVMEJ-SFHVURJKSA-N 1 1 408.973 4.367 50 0 HIAAMO COc1ccc(CCC(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)cc1 ZINC000011873462 558291208 /nfs/dbraw/zinc/29/12/08/558291208.db2.gz VIHKCTPFTMAAQY-QFIPXVFZSA-N 1 1 412.549 4.180 50 0 HIAAMO COc1ccc(C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3F)c2C)c(OC)c1OC ZINC000011954259 558303383 /nfs/dbraw/zinc/30/33/83/558303383.db2.gz KCDLFGYKMSNHEV-CYBMUJFWSA-N 1 1 417.456 4.336 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@H+](C)Cc2cnn(C)c2)cc1F ZINC000012001054 558308347 /nfs/dbraw/zinc/30/83/47/558308347.db2.gz WDOJKVCFUZLNGS-UHFFFAOYSA-N 1 1 419.504 4.361 50 0 HIAAMO COc1ccc(-c2nn(-c3ccccc3C)cc2C[N@@H+](C)Cc2cnn(C)c2)cc1F ZINC000012001054 558308350 /nfs/dbraw/zinc/30/83/50/558308350.db2.gz WDOJKVCFUZLNGS-UHFFFAOYSA-N 1 1 419.504 4.361 50 0 HIAAMO CSCCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000012026055 558310233 /nfs/dbraw/zinc/31/02/33/558310233.db2.gz BXYXMWFVUDYNSN-KRWDZBQOSA-N 1 1 402.526 4.171 50 0 HIAAMO OC[C@@]1(Cc2ccc(F)cc2)CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000012049379 558313650 /nfs/dbraw/zinc/31/36/50/558313650.db2.gz CESVNUOWKPJCMA-AREMUKBSSA-N 1 1 410.577 4.150 50 0 HIAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cc3c(cc2Cl)OCO3)oc1C ZINC000012055968 558315827 /nfs/dbraw/zinc/31/58/27/558315827.db2.gz JHXXUHUANQWNOC-AWEZNQCLSA-N 1 1 420.893 4.340 50 0 HIAAMO Cn1c2c(c3c1CC[N@H+](C)[C@H]3c1ccccc1F)[C@H](c1ccccc1F)N(C)CC2 ZINC000020029585 558323518 /nfs/dbraw/zinc/32/35/18/558323518.db2.gz OPDVBRFXDTXMET-DQEYMECFSA-N 1 1 407.508 4.458 50 0 HIAAMO Cn1c2c(c3c1CC[N@@H+](C)[C@H]3c1ccccc1F)[C@H](c1ccccc1F)N(C)CC2 ZINC000020029585 558323520 /nfs/dbraw/zinc/32/35/20/558323520.db2.gz OPDVBRFXDTXMET-DQEYMECFSA-N 1 1 407.508 4.458 50 0 HIAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)CCc1ccccc1F ZINC000012090915 558324226 /nfs/dbraw/zinc/32/42/26/558324226.db2.gz PYKAFPKIRLJGSO-HXUWFJFHSA-N 1 1 400.513 4.311 50 0 HIAAMO C[C@@H](Oc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020166432 558342766 /nfs/dbraw/zinc/34/27/66/558342766.db2.gz NSWDLLDIMYEGQF-OAQYLSRUSA-N 1 1 400.522 4.388 50 0 HIAAMO Cc1cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(-n4cccn4)c3)C2)cc(C)c1O ZINC000012201698 558351469 /nfs/dbraw/zinc/35/14/69/558351469.db2.gz DHXIJRBOHRSJRC-FQEVSTJZSA-N 1 1 404.514 4.045 50 0 HIAAMO O[C@@H](COc1cccc(Oc2ccccc2)c1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020406654 558360194 /nfs/dbraw/zinc/36/01/94/558360194.db2.gz NNJXHJLIBUSMOE-HXUWFJFHSA-N 1 1 422.500 4.180 50 0 HIAAMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C[C@H](C)O1 ZINC000020421392 558361832 /nfs/dbraw/zinc/36/18/32/558361832.db2.gz CBAALCSGEDVLKC-IYBDPMFKSA-N 1 1 400.906 4.009 50 0 HIAAMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)C[C@H](C)O1 ZINC000020421392 558361834 /nfs/dbraw/zinc/36/18/34/558361834.db2.gz CBAALCSGEDVLKC-IYBDPMFKSA-N 1 1 400.906 4.009 50 0 HIAAMO COc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c(OC)c1 ZINC000012385197 558394288 /nfs/dbraw/zinc/39/42/88/558394288.db2.gz OAUZGOVIXFPKCR-FQEVSTJZSA-N 1 1 402.579 4.393 50 0 HIAAMO COc1cccc(C(=O)[C@@H]2CCC[N@H+](C3CCN(CCc4ccccc4)CC3)C2)c1 ZINC000012431632 558406245 /nfs/dbraw/zinc/40/62/45/558406245.db2.gz XADLRCJPKYMMSH-HSZRJFAPSA-N 1 1 406.570 4.297 50 0 HIAAMO COc1cccc(C(=O)[C@@H]2CCCN(C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000012431632 558406246 /nfs/dbraw/zinc/40/62/46/558406246.db2.gz XADLRCJPKYMMSH-HSZRJFAPSA-N 1 1 406.570 4.297 50 0 HIAAMO CCOC(=O)C1(Cc2ccccc2Cl)CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000012438067 558409725 /nfs/dbraw/zinc/40/97/25/558409725.db2.gz JEZOYKYAUUTHFT-UHFFFAOYSA-N 1 1 417.933 4.442 50 0 HIAAMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12 ZINC000012440291 558411451 /nfs/dbraw/zinc/41/14/51/558411451.db2.gz WIMOQNNYGHSPBT-OAHLLOKOSA-N 1 1 422.476 4.248 50 0 HIAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(C)cc3)nc2-c2ccc(F)cc2)C1 ZINC000012571599 558429436 /nfs/dbraw/zinc/42/94/36/558429436.db2.gz NDLFSCBWJCBHOS-FQEVSTJZSA-N 1 1 420.532 4.335 50 0 HIAAMO COc1cccc(C[N@@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)c1OC ZINC000021038570 558430005 /nfs/dbraw/zinc/43/00/05/558430005.db2.gz KCVKFAFDVAASMC-UHFFFAOYSA-N 1 1 412.440 4.074 50 0 HIAAMO COc1cccc(C[N@H+]2CCc3nc(Nc4ccc(F)cc4F)ncc3C2)c1OC ZINC000021038570 558430008 /nfs/dbraw/zinc/43/00/08/558430008.db2.gz KCVKFAFDVAASMC-UHFFFAOYSA-N 1 1 412.440 4.074 50 0 HIAAMO CN(C(=O)c1cccc(-n2cccn2)c1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012583897 558433474 /nfs/dbraw/zinc/43/34/74/558433474.db2.gz VKGLAEALONKRBP-DEOSSOPVSA-N 1 1 402.542 4.042 50 0 HIAAMO COCc1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(OC)c(F)c3)C2)ccc1OC ZINC000012587413 558434391 /nfs/dbraw/zinc/43/43/91/558434391.db2.gz HNOOJNWCSHIPRM-GOSISDBHSA-N 1 1 401.478 4.084 50 0 HIAAMO Cc1cc(-c2nn(-c3ccccc3F)cc2C[N@@H+](C)C[C@H]2COCCO2)c(C)s1 ZINC000012707540 558450580 /nfs/dbraw/zinc/45/05/80/558450580.db2.gz BDMJOOVFSWMMOK-SFHVURJKSA-N 1 1 415.534 4.204 50 0 HIAAMO CC[N@@H+](CCn1cccn1)Cc1cn(-c2ccccc2)nc1-c1cccc(OC)c1 ZINC000012835794 558478173 /nfs/dbraw/zinc/47/81/73/558478173.db2.gz PCYBUHGGQQAPMS-UHFFFAOYSA-N 1 1 401.514 4.267 50 0 HIAAMO COc1ccc(NC(=O)[C@H](C)N2CC[NH+](Cc3csc4ccccc34)CC2)cc1 ZINC000022935266 558526413 /nfs/dbraw/zinc/52/64/13/558526413.db2.gz YXXOPVLTAUMSDI-KRWDZBQOSA-N 1 1 409.555 4.055 50 0 HIAAMO CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)s2)c(C)n1 ZINC000023214347 558542757 /nfs/dbraw/zinc/54/27/57/558542757.db2.gz SLZJVVZXQMCCHK-HNNXBMFYSA-N 1 1 401.561 4.319 50 0 HIAAMO CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(C(=O)Nc3nccs3)s2)c(C)n1 ZINC000023214347 558542762 /nfs/dbraw/zinc/54/27/62/558542762.db2.gz SLZJVVZXQMCCHK-HNNXBMFYSA-N 1 1 401.561 4.319 50 0 HIAAMO C[N@@H+](C[C@@H](O)COCc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000023238132 558544910 /nfs/dbraw/zinc/54/49/10/558544910.db2.gz IDPPVBCRAKJMDN-RDGATRHJSA-N 1 1 423.484 4.153 50 0 HIAAMO O=C(CC[NH+]1CCOCC1)N1CCc2c3ccccc3[nH]c2[C@@H]1c1cccc(Cl)c1 ZINC000013596897 558547337 /nfs/dbraw/zinc/54/73/37/558547337.db2.gz CIWDYMHOQXSHQT-DEOSSOPVSA-N 1 1 423.944 4.018 50 0 HIAAMO O=C(c1nc2sccn2c1C[N@H+]1CC[C@H](C2CCCCC2)C1)N1CCCCC1 ZINC000023338315 558549976 /nfs/dbraw/zinc/54/99/76/558549976.db2.gz ARWCCCZXYDWAAA-SFHVURJKSA-N 1 1 400.592 4.424 50 0 HIAAMO O=C(c1cc(-c2ccco2)nc2onc(-c3ccccc3)c21)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000013641675 558555772 /nfs/dbraw/zinc/55/57/72/558555772.db2.gz RZMWZGIFTOTZFF-QGZVFWFLSA-N 1 1 414.465 4.070 50 0 HIAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)C1c2ccccc2Oc2ccccc21 ZINC000023736502 558572173 /nfs/dbraw/zinc/57/21/73/558572173.db2.gz VDLDAFHNZOLXSG-UHFFFAOYSA-N 1 1 406.526 4.076 50 0 HIAAMO CC(C)[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1)Cc1ccccc1 ZINC000010931018 558580950 /nfs/dbraw/zinc/58/09/50/558580950.db2.gz QSLAAISUGBZAHU-UHFFFAOYSA-N 1 1 417.435 4.135 50 0 HIAAMO O=C(CCn1cnc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023955491 558582440 /nfs/dbraw/zinc/58/24/40/558582440.db2.gz WNUXCNOFLCELJN-UHFFFAOYSA-N 1 1 424.548 4.360 50 0 HIAAMO COC(=O)C[C@@H]([NH2+][C@H]1C(C)=C(C)C(=O)N1CCc1ccccc1)c1ccc(C)cc1C ZINC000013894081 558600084 /nfs/dbraw/zinc/60/00/84/558600084.db2.gz OHZMXAJKOFCPPB-ILBGXUMGSA-N 1 1 420.553 4.245 50 0 HIAAMO COC(=O)C[C@H]([NH2+][C@@H]1C(C)=C(C)C(=O)N1CCc1ccccc1)c1ccc(C)cc1C ZINC000013894089 558600127 /nfs/dbraw/zinc/60/01/27/558600127.db2.gz OHZMXAJKOFCPPB-ZCYQVOJMSA-N 1 1 420.553 4.245 50 0 HIAAMO C[NH+](C)[C@@H](CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1)c1cccc(F)c1 ZINC000024758884 558610837 /nfs/dbraw/zinc/61/08/37/558610837.db2.gz SRKDTCFQBHMNJZ-QFIPXVFZSA-N 1 1 408.448 4.229 50 0 HIAAMO C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000025680416 558647521 /nfs/dbraw/zinc/64/75/21/558647521.db2.gz LWMNSMXOTVCFRC-HXUWFJFHSA-N 1 1 404.554 4.351 50 0 HIAAMO COc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCCC1 ZINC000027664014 558679281 /nfs/dbraw/zinc/67/92/81/558679281.db2.gz FZVZSBAJXYLWFD-IBGZPJMESA-N 1 1 402.922 4.071 50 0 HIAAMO CNc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(C(C)C)cc2)C3)ccn1 ZINC000014959741 558683553 /nfs/dbraw/zinc/68/35/53/558683553.db2.gz VKBDDVIWDUNUGM-RUZDIDTESA-N 1 1 406.574 4.375 50 0 HIAAMO Cc1ccc(C)c(-n2cc(CNCCC[NH+]3CCC(O)CC3)c(-c3ccccc3)n2)c1 ZINC000014962067 558684353 /nfs/dbraw/zinc/68/43/53/558684353.db2.gz YWUNICKYDYNUEK-UHFFFAOYSA-N 1 1 418.585 4.093 50 0 HIAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cc(C2CC2)on1 ZINC000014976919 558689405 /nfs/dbraw/zinc/68/94/05/558689405.db2.gz AMPLBBKCGGULFK-QGZVFWFLSA-N 1 1 401.938 4.232 50 0 HIAAMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000028013364 558689613 /nfs/dbraw/zinc/68/96/13/558689613.db2.gz KYUSSXPIHFYHDU-LJQANCHMSA-N 1 1 420.475 4.459 50 0 HIAAMO COCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3cccc(C(F)(F)F)c3)C2)o1 ZINC000014978185 558690196 /nfs/dbraw/zinc/69/01/96/558690196.db2.gz HXVVWPIBGDADIV-OAHLLOKOSA-N 1 1 410.436 4.087 50 0 HIAAMO COc1ccc(C[N@H+]2CCC[C@H](c3nnc(SCc4ccccc4)n3C)C2)cc1 ZINC000014988298 558693340 /nfs/dbraw/zinc/69/33/40/558693340.db2.gz DZPXESDLXTXDPR-FQEVSTJZSA-N 1 1 408.571 4.496 50 0 HIAAMO c1ccc(-c2nc3nc(-c4ccccc4)nc(NCCC[NH+]4CCOCC4)c3o2)cc1 ZINC000028287230 558694769 /nfs/dbraw/zinc/69/47/69/558694769.db2.gz NNTWSFSGDURCBZ-UHFFFAOYSA-N 1 1 415.497 4.086 50 0 HIAAMO O=C(Cc1csc(-c2ccccc2)n1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000015063461 558706181 /nfs/dbraw/zinc/70/61/81/558706181.db2.gz ASKPMQJPZPRQJD-OAQYLSRUSA-N 1 1 405.567 4.176 50 0 HIAAMO COc1ccc(NC(=O)CC[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)c(C)c1 ZINC000015068032 558710576 /nfs/dbraw/zinc/71/05/76/558710576.db2.gz QFHZQBJTRJMALG-KRWDZBQOSA-N 1 1 416.591 4.157 50 0 HIAAMO CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)c3cc(Cl)ccc3OC)C2)cc1CO ZINC000015075284 558715794 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408.542 4.110 50 0 HIAAMO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cncc(Br)c1 ZINC000032988529 558808238 /nfs/dbraw/zinc/80/82/38/558808238.db2.gz XHDJZFMEYWUDDP-QGZVFWFLSA-N 1 1 408.727 4.064 50 0 HIAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc3nc(C)cc(C(F)(F)Cl)n3n2)cc1 ZINC000013640570 558830958 /nfs/dbraw/zinc/83/09/58/558830958.db2.gz FKSLRCXGCFSFIK-UHFFFAOYSA-N 1 1 416.819 4.072 50 0 HIAAMO CC[C@@H](C)[N@@H+](CCCNC(=O)c1noc2c1COc1ccccc1-2)Cc1ccco1 ZINC000033028855 558852550 /nfs/dbraw/zinc/85/25/50/558852550.db2.gz PXFXVRFYQVVXDW-MRXNPFEDSA-N 1 1 409.486 4.248 50 0 HIAAMO Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2C[NH2+]Cc1ccc(F)cc1F ZINC000055035743 558869914 /nfs/dbraw/zinc/86/99/14/558869914.db2.gz FGTFXRSLMYDUJT-UHFFFAOYSA-N 1 1 412.484 4.227 50 0 HIAAMO Cc1ccsc1C[N@@H+](Cc1cn(CC(N)=O)c2ccccc12)Cc1ccccn1 ZINC000055306881 558878863 /nfs/dbraw/zinc/87/88/63/558878863.db2.gz BDNIJNWECUBNLN-UHFFFAOYSA-N 1 1 404.539 4.094 50 0 HIAAMO O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019372077 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ZINC000005516577 560604516 /nfs/dbraw/zinc/60/45/16/560604516.db2.gz BZOKIODKEKYYIG-DHIUTWEWSA-N 1 1 411.440 4.333 50 0 HIAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000022907842 568415976 /nfs/dbraw/zinc/41/59/76/568415976.db2.gz MXTZTNQBICDSEM-LJQANCHMSA-N 1 1 406.507 4.006 50 0 HIAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000022907842 568415977 /nfs/dbraw/zinc/41/59/77/568415977.db2.gz MXTZTNQBICDSEM-LJQANCHMSA-N 1 1 406.507 4.006 50 0 HIAAMO COc1ccc(C(=O)NC[C@H](c2cccs2)[N@@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000022907830 568415989 /nfs/dbraw/zinc/41/59/89/568415989.db2.gz APFUCNRVQITDMB-OAQYLSRUSA-N 1 1 422.550 4.295 50 0 HIAAMO COc1ccc(C(=O)NC[C@H](c2cccs2)[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000022907830 568415990 /nfs/dbraw/zinc/41/59/90/568415990.db2.gz APFUCNRVQITDMB-OAQYLSRUSA-N 1 1 422.550 4.295 50 0 HIAAMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCCc2ccccc21 ZINC000108962679 568420386 /nfs/dbraw/zinc/42/03/86/568420386.db2.gz JDJSVWMSCLZVJH-YADHBBJMSA-N 1 1 406.526 4.131 50 0 HIAAMO CC(C)c1nn2c(nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cc2=O)s1 ZINC000046032193 568424543 /nfs/dbraw/zinc/42/45/43/568424543.db2.gz VDVYYXFMBADGCR-UHFFFAOYSA-N 1 1 404.539 4.477 50 0 HIAAMO Cc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4ccc(C)cc4C)CC3)n2)cc1 ZINC000049403256 568448208 /nfs/dbraw/zinc/44/82/08/568448208.db2.gz GTSRYULKESJZSB-UHFFFAOYSA-N 1 1 404.514 4.480 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000049605868 568452491 /nfs/dbraw/zinc/45/24/91/568452491.db2.gz ZPXFDEIKWYHIKC-IBGZPJMESA-N 1 1 415.497 4.087 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000049605868 568452493 /nfs/dbraw/zinc/45/24/93/568452493.db2.gz ZPXFDEIKWYHIKC-IBGZPJMESA-N 1 1 415.497 4.087 50 0 HIAAMO CCCc1ccc([C@@H]([NH2+]Cc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)C(C)C)cc1 ZINC000049590132 568452984 /nfs/dbraw/zinc/45/29/84/568452984.db2.gz WOMCCILTICYSDE-QHCPKHFHSA-N 1 1 409.530 4.380 50 0 HIAAMO COc1ccc(NC(=O)N2CCC[C@H](C[N@H+]3CCc4ccccc4C3)C2)cc1OC ZINC000006877385 568462887 /nfs/dbraw/zinc/46/28/87/568462887.db2.gz CMUHIQSDLUAMIZ-GOSISDBHSA-N 1 1 409.530 4.006 50 0 HIAAMO COc1c2c(cc3c1[C@H](n1ccc4cc(Br)ccc41)[N@H+](C)CC3)OCO2 ZINC000020112770 568588662 /nfs/dbraw/zinc/58/86/62/568588662.db2.gz GVVZFYQLOHTBCZ-FQEVSTJZSA-N 1 1 415.287 4.176 50 0 HIAAMO COc1c2c(cc3c1[C@H](n1ccc4cc(Br)ccc41)[N@@H+](C)CC3)OCO2 ZINC000020112770 568588663 /nfs/dbraw/zinc/58/86/63/568588663.db2.gz GVVZFYQLOHTBCZ-FQEVSTJZSA-N 1 1 415.287 4.176 50 0 HIAAMO O=C(c1ccc(Oc2cccnc2)cc1)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000095376507 568603152 /nfs/dbraw/zinc/60/31/52/568603152.db2.gz TZEFMEZCXYMQCR-UHFFFAOYSA-N 1 1 424.504 4.380 50 0 HIAAMO CC[C@@H](C)Oc1cc(C[N@H+]2CCCN(Cc3csc(C)n3)CC2)ccc1OC ZINC000095453835 568615941 /nfs/dbraw/zinc/61/59/41/568615941.db2.gz JQMUKFAMGOYAAN-QGZVFWFLSA-N 1 1 403.592 4.345 50 0 HIAAMO C[N@H+](CCc1ccncc1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000095454723 568616285 /nfs/dbraw/zinc/61/62/85/568616285.db2.gz QMRLIBNWMPCKIZ-GOSISDBHSA-N 1 1 410.568 4.057 50 0 HIAAMO C[N@@H+](CCc1ccncc1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000095454723 568616288 /nfs/dbraw/zinc/61/62/88/568616288.db2.gz QMRLIBNWMPCKIZ-GOSISDBHSA-N 1 1 410.568 4.057 50 0 HIAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc2c1C[N@H+]([C@H](C)CO)C2 ZINC000095458483 568619026 /nfs/dbraw/zinc/61/90/26/568619026.db2.gz GSXQPGJUDZBPLU-CYBMUJFWSA-N 1 1 411.502 4.206 50 0 HIAAMO Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)CO)C2 ZINC000095458483 568619027 /nfs/dbraw/zinc/61/90/27/568619027.db2.gz GSXQPGJUDZBPLU-CYBMUJFWSA-N 1 1 411.502 4.206 50 0 HIAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 ZINC000020933628 568652167 /nfs/dbraw/zinc/65/21/67/568652167.db2.gz VWLADNDPMFUYNO-HXUWFJFHSA-N 1 1 405.546 4.047 50 0 HIAAMO C[C@@H]1CN(Cc2ccccc2C[NH2+]Cc2cc(Br)cs2)C[C@H](C)O1 ZINC000095951439 568667702 /nfs/dbraw/zinc/66/77/02/568667702.db2.gz OKBCEXKKDKQCEQ-GASCZTMLSA-N 1 1 409.393 4.410 50 0 HIAAMO CCCSc1ccccc1N1CC[NH+](C[C@H](O)c2ccc(OC)c(OC)c2)CC1 ZINC000096026823 568686623 /nfs/dbraw/zinc/68/66/23/568686623.db2.gz YCWCJHYQLNAKPD-FQEVSTJZSA-N 1 1 416.587 4.062 50 0 HIAAMO O=C(C[NH+]1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1 ZINC000024984213 568710289 /nfs/dbraw/zinc/71/02/89/568710289.db2.gz GBSRRLSGHQUTKH-UHFFFAOYSA-N 1 1 421.541 4.142 50 0 HIAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(Cl)cc3C)s2)CC1 ZINC000021531689 568711327 /nfs/dbraw/zinc/71/13/27/568711327.db2.gz KBMRDBHXBVUVLJ-UHFFFAOYSA-N 1 1 416.982 4.045 50 0 HIAAMO O=C(COc1ccc(Oc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000021539861 568713295 /nfs/dbraw/zinc/71/32/95/568713295.db2.gz NVGRMWKKLSTPAR-UHFFFAOYSA-N 1 1 402.494 4.202 50 0 HIAAMO Cn1c(C[NH+]2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 ZINC000248027519 568747067 /nfs/dbraw/zinc/74/70/67/568747067.db2.gz MVILFFGLDIFXHH-UHFFFAOYSA-N 1 1 416.447 4.443 50 0 HIAAMO Cn1c(C[NH+]2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)nc2ccccc21 ZINC000248098801 568747371 /nfs/dbraw/zinc/74/73/71/568747371.db2.gz ZMBULRBUAGOBTP-UHFFFAOYSA-N 1 1 416.447 4.443 50 0 HIAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)cc1F ZINC000096401850 568750364 /nfs/dbraw/zinc/75/03/64/568750364.db2.gz DERDZGVWZAFHAY-HYXAFXHYSA-N 1 1 413.836 4.032 50 0 HIAAMO CC[NH+]1CCN(c2nnc(-n3cccc3CNc3ccc(C(C)C)cc3)s2)CC1 ZINC000021880891 568757047 /nfs/dbraw/zinc/75/70/47/568757047.db2.gz WQRWIFIIRYPTOG-UHFFFAOYSA-N 1 1 410.591 4.206 50 0 HIAAMO Cc1cc(COc2ccccc2OC[C@@H](O)C[N@@H+](Cc2ccccc2)C(C)C)on1 ZINC000096563808 568760647 /nfs/dbraw/zinc/76/06/47/568760647.db2.gz JDESSQWAWVWLQW-NRFANRHFSA-N 1 1 410.514 4.212 50 0 HIAAMO O[C@@](CCCc1ccccc1)(CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000096592217 568763092 /nfs/dbraw/zinc/76/30/92/568763092.db2.gz DBAZTCRZHOKRHN-QFIPXVFZSA-N 1 1 418.375 4.382 50 0 HIAAMO FC(F)(F)c1ccc(C[N@H+]2CCCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 ZINC000022377213 568767136 /nfs/dbraw/zinc/76/71/36/568767136.db2.gz JXTYDAXHZSTFBC-UHFFFAOYSA-N 1 1 416.447 4.463 50 0 HIAAMO Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000055757505 568783113 /nfs/dbraw/zinc/78/31/13/568783113.db2.gz CFBVYNNDKVJNOH-QLFBSQMISA-N 1 1 406.933 4.069 50 0 HIAAMO CC[N@H+]1CCC[C@@H]1CNCc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492002 568820399 /nfs/dbraw/zinc/82/03/99/568820399.db2.gz PAGHGLYUUOVXKT-HXUWFJFHSA-N 1 1 409.965 4.221 50 0 HIAAMO CCN1CCC[C@@H]1C[NH2+]Cc1nn(Cc2ccccc2Cl)nc1-c1ccccc1 ZINC000261492002 568820400 /nfs/dbraw/zinc/82/04/00/568820400.db2.gz PAGHGLYUUOVXKT-HXUWFJFHSA-N 1 1 409.965 4.221 50 0 HIAAMO CCNC(=O)c1cccc(Nc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)c1 ZINC000012543999 568849290 /nfs/dbraw/zinc/84/92/90/568849290.db2.gz DRTDGGKOSLOZAH-UHFFFAOYSA-N 1 1 409.559 4.397 50 0 HIAAMO C[N@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000012595204 568868775 /nfs/dbraw/zinc/86/87/75/568868775.db2.gz UQQGABFSASYJSU-UHFFFAOYSA-N 1 1 406.574 4.348 50 0 HIAAMO C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1N1CCCCC1 ZINC000012595204 568868777 /nfs/dbraw/zinc/86/87/77/568868777.db2.gz UQQGABFSASYJSU-UHFFFAOYSA-N 1 1 406.574 4.348 50 0 HIAAMO CCOC(=O)c1cnn(-c2nc3ccccc3[nH]2)c1C[NH2+][C@H](CC)c1cccs1 ZINC000299782075 568875072 /nfs/dbraw/zinc/87/50/72/568875072.db2.gz MPKXWSUYDQVBCT-OAHLLOKOSA-N 1 1 409.515 4.228 50 0 HIAAMO C[C@H](NC(=O)c1ccc(N2CCC([N@@H+](C)Cc3cc[nH]n3)CC2)cc1)c1ccccc1 ZINC000299782887 568875264 /nfs/dbraw/zinc/87/52/64/568875264.db2.gz NMUBEIRPCOOSKQ-IBGZPJMESA-N 1 1 417.557 4.002 50 0 HIAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000058021421 568877896 /nfs/dbraw/zinc/87/78/96/568877896.db2.gz PRVAUHQBSBMJCR-UHFFFAOYSA-N 1 1 407.345 4.246 50 0 HIAAMO Cc1cccc(N2CC[NH+](CCNC(=S)Nc3ccc(F)c(Cl)c3)CC2)c1C ZINC000058021436 568877911 /nfs/dbraw/zinc/87/79/11/568877911.db2.gz ZZTLPWFTZOJHEK-UHFFFAOYSA-N 1 1 420.985 4.205 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccc(C(C)C)cc2)CC1 ZINC000058148964 568892556 /nfs/dbraw/zinc/89/25/56/568892556.db2.gz MQSGDZPYNBEOSB-UHFFFAOYSA-N 1 1 402.542 4.440 50 0 HIAAMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000031056614 568911272 /nfs/dbraw/zinc/91/12/72/568911272.db2.gz WJUPCRRNTWVKCK-KRWDZBQOSA-N 1 1 400.548 4.017 50 0 HIAAMO O=C(NCCC1=CCCCC1)[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000031056614 568911274 /nfs/dbraw/zinc/91/12/74/568911274.db2.gz WJUPCRRNTWVKCK-KRWDZBQOSA-N 1 1 400.548 4.017 50 0 HIAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000012695614 568916290 /nfs/dbraw/zinc/91/62/90/568916290.db2.gz VUYGIQSPVVCKRS-PKOBYXMFSA-N 1 1 410.461 4.010 50 0 HIAAMO COc1cc(Br)c(C[NH2+]Cc2ccccc2Cn2cccn2)c(OC)c1 ZINC000083915505 568925211 /nfs/dbraw/zinc/92/52/11/568925211.db2.gz YWDUGAGSOSTQCI-UHFFFAOYSA-N 1 1 416.319 4.001 50 0 HIAAMO COc1ccc(NC(=O)CC[C@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)c(C)c1 ZINC000012760200 568944110 /nfs/dbraw/zinc/94/41/10/568944110.db2.gz GDRQHPCBMUDHEG-QGZVFWFLSA-N 1 1 408.502 4.171 50 0 HIAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)c3ccccc3OC)ccc21 ZINC000015669141 568960804 /nfs/dbraw/zinc/96/08/04/568960804.db2.gz UROGCCBUJHFFLG-UHFFFAOYSA-N 1 1 403.486 4.260 50 0 HIAAMO Cc1nn(-c2ccc(C)cc2)c(-n2cccc2)c1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000015681416 568967947 /nfs/dbraw/zinc/96/79/47/568967947.db2.gz VIELJEVNWXCNSN-HXUWFJFHSA-N 1 1 419.573 4.274 50 0 HIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 ZINC000008157249 568978534 /nfs/dbraw/zinc/97/85/34/568978534.db2.gz XNKCLAVTQWKNNR-HSZRJFAPSA-N 1 1 421.541 4.143 50 0 HIAAMO COc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCCc2c[nH]c3ccccc23)cc1 ZINC000008324555 568990999 /nfs/dbraw/zinc/99/09/99/568990999.db2.gz NNFIBBMKHCHWOC-XMMPIXPASA-N 1 1 405.542 4.453 50 0 HIAAMO Cc1cc([C@H](c2ccccc2F)N2CC[NH+](C)CC2)c(NC(=O)c2ccco2)s1 ZINC000038546415 569000279 /nfs/dbraw/zinc/00/02/79/569000279.db2.gz DTQNXVUJUICYGW-FQEVSTJZSA-N 1 1 413.518 4.378 50 0 HIAAMO C[N@H+](CCC(=O)Nc1ccc(F)c(F)c1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000012871092 569013277 /nfs/dbraw/zinc/01/32/77/569013277.db2.gz HWILDGIDSXZFBC-UHFFFAOYSA-N 1 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ZINC000012942320 569028766 /nfs/dbraw/zinc/02/87/66/569028766.db2.gz JHQYDFDXHFKTFD-UHFFFAOYSA-N 1 1 413.319 4.014 50 0 HIAAMO CCOc1cc(C[N@H+](C)CC(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC(F)F ZINC000026454595 569031891 /nfs/dbraw/zinc/03/18/91/569031891.db2.gz RIAHNEGSYMPMJL-CQSZACIVSA-N 1 1 410.436 4.135 50 0 HIAAMO CCOc1cc(C[N@@H+](C)CC(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC(F)F ZINC000026454595 569031892 /nfs/dbraw/zinc/03/18/92/569031892.db2.gz RIAHNEGSYMPMJL-CQSZACIVSA-N 1 1 410.436 4.135 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000012973063 569041700 /nfs/dbraw/zinc/04/17/00/569041700.db2.gz VAPOKKTVCOMYBS-ZDUSSCGKSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000012973063 569041701 /nfs/dbraw/zinc/04/17/01/569041701.db2.gz VAPOKKTVCOMYBS-ZDUSSCGKSA-N 1 1 404.301 4.206 50 0 HIAAMO O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882006 569047800 /nfs/dbraw/zinc/04/78/00/569047800.db2.gz UMIFJTXUGRFCJJ-SOFGYWHQSA-N 1 1 405.325 4.155 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000013014525 569050771 /nfs/dbraw/zinc/05/07/71/569050771.db2.gz CEBJACYAZOJRIP-ZDUSSCGKSA-N 1 1 404.301 4.206 50 0 HIAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000013014525 569050772 /nfs/dbraw/zinc/05/07/72/569050772.db2.gz CEBJACYAZOJRIP-ZDUSSCGKSA-N 1 1 404.301 4.206 50 0 HIAAMO COc1cc(-c2ccccc2)sc1C(=O)NC[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000089429380 569060358 /nfs/dbraw/zinc/06/03/58/569060358.db2.gz UVELRYYAXOLDBY-LJQANCHMSA-N 1 1 407.539 4.386 50 0 HIAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](CC)CC3)c3cccc(OC)c3)c[nH]c21 ZINC000035802566 569060591 /nfs/dbraw/zinc/06/05/91/569060591.db2.gz JUYRBUJGDHPWFU-QHCPKHFHSA-N 1 1 419.569 4.425 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccn2c(c1)nnc2-c1cccc(Cl)c1 ZINC000064459970 569063045 /nfs/dbraw/zinc/06/30/45/569063045.db2.gz IYBZRNCOPBMWMG-INIZCTEOSA-N 1 1 411.937 4.044 50 0 HIAAMO 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HIAAMO O=C(CCC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1)NCc1ccc(F)cc1 ZINC000020601504 526409106 /nfs/dbraw/zinc/40/91/06/526409106.db2.gz HDMMBTSVXACVRY-RUZDIDTESA-N 1 1 423.576 4.209 50 0 HIAAMO Cc1nc(CSCC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)cs1 ZINC000032931236 526913273 /nfs/dbraw/zinc/91/32/73/526913273.db2.gz WNQIMNXJIVQCFI-INIZCTEOSA-N 1 1 403.617 4.376 50 0 HIAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1c2ccccc2nnc1-c1ccccc1 ZINC000032953151 527674291 /nfs/dbraw/zinc/67/42/91/527674291.db2.gz YQIHCCIGGWWZMM-UHFFFAOYSA-N 1 1 422.532 4.475 50 0 HIAAMO CCOc1c(Br)cc(C[NH2+]Cc2ccccn2)cc1Br ZINC000034990961 557119815 /nfs/dbraw/zinc/11/98/15/557119815.db2.gz WRKBDZSMQXADMC-UHFFFAOYSA-N 1 1 400.114 4.295 50 0 HIAAMO COCC[N@@H+](C)Cc1ccc2nc3sc(C(=O)N(C)C4CCCCC4)cn3c2c1 ZINC000001549457 557271801 /nfs/dbraw/zinc/27/18/01/557271801.db2.gz AQINBUDFKZIGCN-UHFFFAOYSA-N 1 1 414.575 4.032 50 0 in-vitro HIAAMO CCCC[N@@H+](C)CCCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1 ZINC000004757409 557594866 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HIAAMO COc1ccc(OC)c(-c2nc(C[NH+]3CCC(OCc4cccnc4)CC3)c(C)o2)c1 ZINC000011821042 558284269 /nfs/dbraw/zinc/28/42/69/558284269.db2.gz MIAKCJIJZUZLRY-UHFFFAOYSA-N 1 1 423.513 4.243 50 0 HIAAMO COc1cc(-c2nc(C[N@@H+]3CCC[C@@H](OCc4cccnc4)C3)c(C)o2)ccc1F ZINC000011821289 558284415 /nfs/dbraw/zinc/28/44/15/558284415.db2.gz NKOQOHPFRUHOCO-LJQANCHMSA-N 1 1 411.477 4.374 50 0 HIAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@@H](OCc4cccnc4)C3)c(C)o2)ccc1F ZINC000011821289 558284418 /nfs/dbraw/zinc/28/44/18/558284418.db2.gz NKOQOHPFRUHOCO-LJQANCHMSA-N 1 1 411.477 4.374 50 0 HIAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000019835120 558292489 /nfs/dbraw/zinc/29/24/89/558292489.db2.gz IGSZJEVLBMIADW-UHFFFAOYSA-N 1 1 401.510 4.235 50 0 HIAAMO CC(C)=CC[N@@H+]1CCc2nnc([C@@H](CC(C)C)NC(=O)c3cc(C)cc(C)c3)n2CC1 ZINC000011910851 558296592 /nfs/dbraw/zinc/29/65/92/558296592.db2.gz LVHPXAHTECTCIK-JOCHJYFZSA-N 1 1 423.605 4.236 50 0 HIAAMO O=C(NCCc1cccs1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000019880235 558300849 /nfs/dbraw/zinc/30/08/49/558300849.db2.gz LABRXLDHXWQFPJ-UHFFFAOYSA-N 1 1 403.551 4.388 50 0 HIAAMO CN(C(=O)c1ccc(-c2ncc[nH]2)s1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011936748 558300878 /nfs/dbraw/zinc/30/08/78/558300878.db2.gz FEQKHYHHVFAVJU-LJQANCHMSA-N 1 1 408.571 4.307 50 0 HIAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC000011957683 558303855 /nfs/dbraw/zinc/30/38/55/558303855.db2.gz DWTIPWJRXCJWRY-UHFFFAOYSA-N 1 1 415.917 4.457 50 0 HIAAMO O[C@@H](COc1ccc(-c2ccccc2)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000019908833 558306196 /nfs/dbraw/zinc/30/61/96/558306196.db2.gz UATJPUZOXPKLJY-JOCHJYFZSA-N 1 1 406.501 4.055 50 0 HIAAMO O=C(C[C@H](c1cccc(O)c1)c1ccccc1O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000012203064 558351930 /nfs/dbraw/zinc/35/19/30/558351930.db2.gz IWQXARWYHKUIHA-HSZRJFAPSA-N 1 1 408.542 4.097 50 0 HIAAMO Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012204205 558352332 /nfs/dbraw/zinc/35/23/32/558352332.db2.gz BXTCSQSQVXODHA-OAQYLSRUSA-N 1 1 401.510 4.012 50 0 HIAAMO Clc1ccc(-c2n[nH]cc2CN[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000020295751 558354549 /nfs/dbraw/zinc/35/45/49/558354549.db2.gz IXJIZTJXPYRIDY-JOCHJYFZSA-N 1 1 406.961 4.452 50 0 HIAAMO Clc1ccc(-c2n[nH]cc2CN[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)cc1 ZINC000020295751 558354552 /nfs/dbraw/zinc/35/45/52/558354552.db2.gz IXJIZTJXPYRIDY-JOCHJYFZSA-N 1 1 406.961 4.452 50 0 HIAAMO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCO4)C2)cn1 ZINC000012308294 558376734 /nfs/dbraw/zinc/37/67/34/558376734.db2.gz LMSVFGGLCPKEQL-HXUWFJFHSA-N 1 1 402.498 4.257 50 0 HIAAMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c(Cl)cc1O ZINC000012314839 558378344 /nfs/dbraw/zinc/37/83/44/558378344.db2.gz ZHKHYQLTLJMOSZ-HNNXBMFYSA-N 1 1 419.905 4.166 50 0 HIAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(OC)c3)C2)c(Cl)cc1O ZINC000012314839 558378346 /nfs/dbraw/zinc/37/83/46/558378346.db2.gz ZHKHYQLTLJMOSZ-HNNXBMFYSA-N 1 1 419.905 4.166 50 0 HIAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cc(OC)c(O)cc2Cl)CC1 ZINC000012315702 558379160 /nfs/dbraw/zinc/37/91/60/558379160.db2.gz HNSHUUILNMRBJG-UHFFFAOYSA-N 1 1 417.933 4.442 50 0 HIAAMO C[C@@H](C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@@H]1c1cccs1 ZINC000020688659 558400604 /nfs/dbraw/zinc/40/06/04/558400604.db2.gz GDWYPEYBDHHGGV-MRESUBBGSA-N 1 1 401.576 4.068 50 0 HIAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012430532 558405151 /nfs/dbraw/zinc/40/51/51/558405151.db2.gz VRWKWXDVBKRFDQ-INIZCTEOSA-N 1 1 403.906 4.461 50 0 HIAAMO COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000012430532 558405156 /nfs/dbraw/zinc/40/51/56/558405156.db2.gz VRWKWXDVBKRFDQ-INIZCTEOSA-N 1 1 403.906 4.461 50 0 HIAAMO O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@@H+](Cc2cccn2-c2ncccn2)C1 ZINC000012437933 558409481 /nfs/dbraw/zinc/40/94/81/558409481.db2.gz AMMHVSJYXZXGOV-QGZVFWFLSA-N 1 1 414.431 4.381 50 0 HIAAMO CCN(Cc1ccc(COC)o1)C[C@@H]1CCC[N@@H+](CCc2cccc(OC)c2)C1 ZINC000012437972 558409813 /nfs/dbraw/zinc/40/98/13/558409813.db2.gz UWMUJBJTRBEKHA-NRFANRHFSA-N 1 1 400.563 4.211 50 0 HIAAMO CC[N@@H+](Cc1ccc(COC)o1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012437972 558409823 /nfs/dbraw/zinc/40/98/23/558409823.db2.gz UWMUJBJTRBEKHA-NRFANRHFSA-N 1 1 400.563 4.211 50 0 HIAAMO CC[N@H+](Cc1ccc(COC)o1)C[C@@H]1CCCN(CCc2cccc(OC)c2)C1 ZINC000012437972 558409824 /nfs/dbraw/zinc/40/98/24/558409824.db2.gz UWMUJBJTRBEKHA-NRFANRHFSA-N 1 1 400.563 4.211 50 0 HIAAMO FC(F)(F)c1cccc(N2CCN([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000020781598 558412777 /nfs/dbraw/zinc/41/27/77/558412777.db2.gz RKUNFRCIRXIYHO-JOCHJYFZSA-N 1 1 403.492 4.492 50 0 HIAAMO FC(F)(F)c1cccc(N2CCN([C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000020781601 558412803 /nfs/dbraw/zinc/41/28/03/558412803.db2.gz RKUNFRCIRXIYHO-QFIPXVFZSA-N 1 1 403.492 4.492 50 0 HIAAMO CCN1C[C@@H](C[N@@H+](C)Cc2cn(-c3cc(C)ccc3C)nc2-c2ccccc2)CC1=O ZINC000012469468 558421458 /nfs/dbraw/zinc/42/14/58/558421458.db2.gz DSYZWFLJFPZTBF-OAQYLSRUSA-N 1 1 416.569 4.456 50 0 HIAAMO O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012583653 558433495 /nfs/dbraw/zinc/43/34/95/558433495.db2.gz HWMWLKVNLZNHFF-IBGZPJMESA-N 1 1 409.530 4.273 50 0 HIAAMO O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012583653 558433496 /nfs/dbraw/zinc/43/34/96/558433496.db2.gz HWMWLKVNLZNHFF-IBGZPJMESA-N 1 1 409.530 4.273 50 0 HIAAMO C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)C[C@H]1COCCO1 ZINC000012708924 558451395 /nfs/dbraw/zinc/45/13/95/558451395.db2.gz OSLAWSJQLYPLFO-QFIPXVFZSA-N 1 1 417.509 4.192 50 0 HIAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1)NCc1ccccc1Cl ZINC000012714242 558454385 /nfs/dbraw/zinc/45/43/85/558454385.db2.gz CKGVHRBXJNMEBC-MRXNPFEDSA-N 1 1 412.921 4.185 50 0 HIAAMO CC(C)N(CC[NH2+]C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C(C)C ZINC000022030106 558459000 /nfs/dbraw/zinc/45/90/00/558459000.db2.gz XWEGKKKIRHQVSS-DEOSSOPVSA-N 1 1 412.618 4.461 50 0 HIAAMO CCCn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3cccc4ccccc43)C2)c(C)n1 ZINC000012756736 558460130 /nfs/dbraw/zinc/46/01/30/558460130.db2.gz MADHZUAHDJZKME-FQEVSTJZSA-N 1 1 404.558 4.397 50 0 HIAAMO Cc1c(C(=O)Nc2nc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cs2)[nH]c2c1C(=O)CCC2 ZINC000022294412 558476668 /nfs/dbraw/zinc/47/66/68/558476668.db2.gz FWMKLKNJOXKYPF-STQMWFEESA-N 1 1 400.548 4.029 50 0 HIAAMO CCN1CC[NH+](C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022860257 558517434 /nfs/dbraw/zinc/51/74/34/558517434.db2.gz DCAZNNZZFVUJFM-NRFANRHFSA-N 1 1 423.384 4.098 50 0 HIAAMO Cn1cc(CC[N@@H+](C)Cc2cn(C)nc2-c2ccc(Oc3ccccc3)cc2)cn1 ZINC000023367141 558552971 /nfs/dbraw/zinc/55/29/71/558552971.db2.gz CHNSOIQQYNXGPG-UHFFFAOYSA-N 1 1 401.514 4.287 50 0 HIAAMO Cc1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000023375164 558554982 /nfs/dbraw/zinc/55/49/82/558554982.db2.gz PRZSXUPHVPNYCK-FQEVSTJZSA-N 1 1 406.549 4.402 50 0 HIAAMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 ZINC000023638722 558564121 /nfs/dbraw/zinc/56/41/21/558564121.db2.gz ORIVJJGFLZRXSH-UHFFFAOYSA-N 1 1 400.526 4.016 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccccc2)c1 ZINC000013779149 558592844 /nfs/dbraw/zinc/59/28/44/558592844.db2.gz PVMCCDFMXMPZMI-NQHRYMMQSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2ccccc2)c1 ZINC000013779149 558592846 /nfs/dbraw/zinc/59/28/46/558592846.db2.gz PVMCCDFMXMPZMI-NQHRYMMQSA-N 1 1 424.541 4.011 50 0 HIAAMO COc1ccc(NC(C)=O)cc1NC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000014120653 558622290 /nfs/dbraw/zinc/62/22/90/558622290.db2.gz CTNMFILDDPQPIX-NSHDSACASA-N 1 1 410.301 4.250 50 0 HIAAMO COCc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)sc2cccc(F)c21 ZINC000014190136 558632385 /nfs/dbraw/zinc/63/23/85/558632385.db2.gz UYNBLNZADNMZGU-MRXNPFEDSA-N 1 1 402.491 4.347 50 0 HIAAMO Cc1nn(CC(C)C)c2sc(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cc12 ZINC000014246479 558647608 /nfs/dbraw/zinc/64/76/08/558647608.db2.gz GKJBAKSYBUICCI-QGZVFWFLSA-N 1 1 400.548 4.222 50 0 HIAAMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000026925065 558667252 /nfs/dbraw/zinc/66/72/52/558667252.db2.gz QSEBPUJSBXPXEI-GOSISDBHSA-N 1 1 409.505 4.304 50 0 HIAAMO COc1cc(C)c(C[N@H+]2C[C@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N(C)C)cc1C ZINC000014960769 558683789 /nfs/dbraw/zinc/68/37/89/558683789.db2.gz BLBPVNDVKBENCH-RTWAWAEBSA-N 1 1 416.562 4.275 50 0 HIAAMO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)c(Cl)c1OC ZINC000014975915 558689274 /nfs/dbraw/zinc/68/92/74/558689274.db2.gz QENHDQFZNAGWBO-JOCHJYFZSA-N 1 1 407.913 4.314 50 0 HIAAMO COc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3F)C2)c(Cl)c1OC ZINC000014975915 558689276 /nfs/dbraw/zinc/68/92/76/558689276.db2.gz QENHDQFZNAGWBO-JOCHJYFZSA-N 1 1 407.913 4.314 50 0 HIAAMO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)c(Cl)c1OC ZINC000014975918 558689334 /nfs/dbraw/zinc/68/93/34/558689334.db2.gz QENHDQFZNAGWBO-QFIPXVFZSA-N 1 1 407.913 4.314 50 0 HIAAMO COc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3F)C2)c(Cl)c1OC ZINC000014975918 558689337 /nfs/dbraw/zinc/68/93/37/558689337.db2.gz QENHDQFZNAGWBO-QFIPXVFZSA-N 1 1 407.913 4.314 50 0 HIAAMO O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)c1cc(=O)c2cc(Cl)ccc2o1 ZINC000028288476 558695348 /nfs/dbraw/zinc/69/53/48/558695348.db2.gz YXRCQFAOHIRBFT-OAHLLOKOSA-N 1 1 402.903 4.075 50 0 HIAAMO COc1ccccc1C[N@H+]1CCC[C@H](c2nnc(SCc3ccccc3)n2C)C1 ZINC000015000617 558697633 /nfs/dbraw/zinc/69/76/33/558697633.db2.gz BVPVWGJYCGRMJF-FQEVSTJZSA-N 1 1 408.571 4.496 50 0 HIAAMO Cc1c(C[N@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015062218 558704998 /nfs/dbraw/zinc/70/49/98/558704998.db2.gz JOHMLWSSQFTPDX-JOCHJYFZSA-N 1 1 404.558 4.178 50 0 HIAAMO O=C(c1nc2ccc(Cl)cn2c1C[NH+]1CCCCC1)N1CCc2ccccc2C1 ZINC000015076363 558716590 /nfs/dbraw/zinc/71/65/90/558716590.db2.gz CLQCCHOECIWHMM-UHFFFAOYSA-N 1 1 408.933 4.172 50 0 HIAAMO Cc1ccc([C@H](CNC(=O)c2cc(=O)c3ccc(C)cc3o2)[NH+]2CCC(C)CC2)o1 ZINC000015860505 558758360 /nfs/dbraw/zinc/75/83/60/558758360.db2.gz VHZJZHZEJNXOOD-IBGZPJMESA-N 1 1 408.498 4.206 50 0 HIAAMO CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)[NH+]3CCC(C)CC3)cc(=O)c2c1 ZINC000015860522 558758374 /nfs/dbraw/zinc/75/83/74/558758374.db2.gz OQYLHCPDAWYRPV-FQEVSTJZSA-N 1 1 422.525 4.460 50 0 HIAAMO COc1cc(C[N@H+]2CCCCC[C@H]2c2ccccc2Cl)ccc1OCC(N)=O ZINC000033087217 558760609 /nfs/dbraw/zinc/76/06/09/558760609.db2.gz RDWXHMKITLLLOX-IBGZPJMESA-N 1 1 402.922 4.330 50 0 HIAAMO CCOc1ccc(Cl)c(C(=O)OC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(OC)cc2)n1 ZINC000072310647 558777497 /nfs/dbraw/zinc/77/74/97/558777497.db2.gz PQYVLJAMOZKEMH-HRAATJIYSA-N 1 1 418.921 4.382 50 0 HIAAMO OC[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000034867988 558785960 /nfs/dbraw/zinc/78/59/60/558785960.db2.gz PRJFXTHYZVXXMC-BTYIYWSLSA-N 1 1 418.331 4.261 50 0 HIAAMO OC[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2O[C@@H](c2ccccc2)OC3)C1 ZINC000034867988 558785962 /nfs/dbraw/zinc/78/59/62/558785962.db2.gz PRJFXTHYZVXXMC-BTYIYWSLSA-N 1 1 418.331 4.261 50 0 HIAAMO O=S(=O)(c1ccc(Cl)cc1)N1CC[NH+](C2CCC(c3ccccc3)CC2)CC1 ZINC000036055835 558797155 /nfs/dbraw/zinc/79/71/55/558797155.db2.gz YWRUVIIHDIUCIQ-UHFFFAOYSA-N 1 1 418.990 4.373 50 0 HIAAMO Cc1[nH]nc(-c2ccc(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)c1-c1ccccc1 ZINC000017058684 558813523 /nfs/dbraw/zinc/81/35/23/558813523.db2.gz WKGNEVKIGSGPKY-CALCHBBNSA-N 1 1 407.514 4.246 50 0 HIAAMO Cc1[nH]nc(-c2ccc(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2O)c1-c1ccccc1 ZINC000017058684 558813524 /nfs/dbraw/zinc/81/35/24/558813524.db2.gz WKGNEVKIGSGPKY-CALCHBBNSA-N 1 1 407.514 4.246 50 0 HIAAMO C[NH+]1CCN(NC(=O)c2cc(-c3cccc(Cl)c3)nc3c(Cl)cccc23)CC1 ZINC000017090235 558818788 /nfs/dbraw/zinc/81/87/88/558818788.db2.gz RUCVDTFRDMVYHI-UHFFFAOYSA-N 1 1 415.324 4.101 50 0 HIAAMO COc1ccc(-n2ncc([C@H](C)[NH2+]Cc3cc(OC)c(OC)cc3OC)c2C)cc1 ZINC000039467645 558821545 /nfs/dbraw/zinc/82/15/45/558821545.db2.gz XTJNFVXFOKODNG-HNNXBMFYSA-N 1 1 411.502 4.066 50 0 HIAAMO COc1ccc(-n2ncc([C@@H](C)[NH2+]Cc3cc(OC)c(OC)cc3OC)c2C)cc1 ZINC000039467643 558821557 /nfs/dbraw/zinc/82/15/57/558821557.db2.gz XTJNFVXFOKODNG-OAHLLOKOSA-N 1 1 411.502 4.066 50 0 HIAAMO Cc1nccn1CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(C(C)C)cc1)C2 ZINC000019301054 558866471 /nfs/dbraw/zinc/86/64/71/558866471.db2.gz ZFDCVTKHWPRCNB-VWLOTQADSA-N 1 1 408.590 4.220 50 0 HIAAMO CC[N@@H+](Cc1ccccc1)Cc1ccc2c(n1)sc(C(=O)OC)c2NC(=O)C1CC1 ZINC000055166583 558874721 /nfs/dbraw/zinc/87/47/21/558874721.db2.gz HZKMIKNJWJTVGR-UHFFFAOYSA-N 1 1 423.538 4.454 50 0 HIAAMO O=C(c1ccsc1)N1CCC[C@H]([NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000055199640 558875825 /nfs/dbraw/zinc/87/58/25/558875825.db2.gz NEGMHMMDUMRKIV-IBGZPJMESA-N 1 1 423.504 4.194 50 0 HIAAMO CCCC[C@H]1C[N@@H+](Cc2c(C)n(C)n(-c3ccccc3)c2=O)Cc2ccccc2O1 ZINC000055226053 558876829 /nfs/dbraw/zinc/87/68/29/558876829.db2.gz DHJNDRBXNKSWBP-QFIPXVFZSA-N 1 1 405.542 4.438 50 0 HIAAMO OCC[NH+]1CCN([C@@H]2Cc3cc(Cl)c(Cl)cc3Sc3ccccc32)CC1 ZINC000071404350 558897383 /nfs/dbraw/zinc/89/73/83/558897383.db2.gz AZKNQSXHNRVDMX-GOSISDBHSA-N 1 1 409.382 4.352 50 0 HIAAMO CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccsc1)c1ccccc1C(=O)NCc1ccco1 ZINC000058166859 558907084 /nfs/dbraw/zinc/90/70/84/558907084.db2.gz PBZGGRFWCSMGQX-FQEVSTJZSA-N 1 1 423.538 4.071 50 0 HIAAMO CN(C(=O)C[N@H+]1CCC[C@H]1c1ccsc1)c1ccccc1C(=O)NCc1ccco1 ZINC000058166859 558907087 /nfs/dbraw/zinc/90/70/87/558907087.db2.gz PBZGGRFWCSMGQX-FQEVSTJZSA-N 1 1 423.538 4.071 50 0 HIAAMO COc1cc(CN2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc(OC)c1OC ZINC000019549846 558914648 /nfs/dbraw/zinc/91/46/48/558914648.db2.gz JWQJZUUTXPAMDH-UHFFFAOYSA-N 1 1 424.463 4.049 50 0 HIAAMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000019559839 558921145 /nfs/dbraw/zinc/92/11/45/558921145.db2.gz YUJYQBMTLJBZNV-UHFFFAOYSA-N 1 1 416.521 4.251 50 0 HIAAMO CC(C)(C)c1ccc(OCC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000059350899 558934318 /nfs/dbraw/zinc/93/43/18/558934318.db2.gz ONJXLTHGAPJFEN-UHFFFAOYSA-N 1 1 416.512 4.422 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2C[N@@H+](C)[C@@H]2CCN(C)C2)cc1OC ZINC000072428228 558979090 /nfs/dbraw/zinc/97/90/90/558979090.db2.gz BVUIFIDEHJZEQR-OAQYLSRUSA-N 1 1 405.542 4.363 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000072428228 558979091 /nfs/dbraw/zinc/97/90/91/558979091.db2.gz BVUIFIDEHJZEQR-OAQYLSRUSA-N 1 1 405.542 4.363 50 0 HIAAMO COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000072428228 558979092 /nfs/dbraw/zinc/97/90/92/558979092.db2.gz BVUIFIDEHJZEQR-OAQYLSRUSA-N 1 1 405.542 4.363 50 0 HIAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](C/C=C/c4ccccc4)C3)C2=O)c1OC ZINC000072429561 558979222 /nfs/dbraw/zinc/97/92/22/558979222.db2.gz DRCHLXCKNNMAFX-UWAOBNACSA-N 1 1 420.553 4.232 50 0 HIAAMO Cc1c2cc(CNC(=O)CCC[NH+]3CCOCC3)ccc2[nH]c1-c1ccccc1F ZINC000077438863 559005285 /nfs/dbraw/zinc/00/52/85/559005285.db2.gz PUDDAJOERXSVFU-UHFFFAOYSA-N 1 1 409.505 4.011 50 0 HIAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(-c3nc(-c4ccccc4)no3)cc2)C1 ZINC000033278932 559042276 /nfs/dbraw/zinc/04/22/76/559042276.db2.gz OXOGLCFKVYNZCU-SFHVURJKSA-N 1 1 404.514 4.255 50 0 HIAAMO COc1ccccc1C[N@@H+]1CCc2nc(SCc3ccccc3F)[nH]c(=O)c2C1 ZINC000033287270 559043927 /nfs/dbraw/zinc/04/39/27/559043927.db2.gz GFMXKKLHQFPXAU-UHFFFAOYSA-N 1 1 411.502 4.181 50 0 HIAAMO COc1ccccc1C[N@H+]1CCc2nc(SCc3ccccc3F)[nH]c(=O)c2C1 ZINC000033287270 559043928 /nfs/dbraw/zinc/04/39/28/559043928.db2.gz GFMXKKLHQFPXAU-UHFFFAOYSA-N 1 1 411.502 4.181 50 0 HIAAMO CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000011287582 559049141 /nfs/dbraw/zinc/04/91/41/559049141.db2.gz ZNVMMBFMXDBEFA-BWKNWUBXSA-N 1 1 408.542 4.498 50 0 HIAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000011287582 559049142 /nfs/dbraw/zinc/04/91/42/559049142.db2.gz ZNVMMBFMXDBEFA-BWKNWUBXSA-N 1 1 408.542 4.498 50 0 HIAAMO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000005156409 559258875 /nfs/dbraw/zinc/25/88/75/559258875.db2.gz MPVZCLGFRKBZRG-UHFFFAOYSA-N 1 1 419.525 4.156 50 0 HIAAMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)N(C)C(=O)N[C@@H]1c1ccc(C(C)C)cc1 ZINC000104938375 560856931 /nfs/dbraw/zinc/85/69/31/560856931.db2.gz KBVHYBNEXMSFOC-VGOFRKELSA-N 1 1 413.562 4.198 50 0 HIAAMO C[C@H]1CCCC[N@H+]1CC(=O)N1N=C(c2ccccc2F)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000105007918 560859706 /nfs/dbraw/zinc/85/97/06/560859706.db2.gz LHUSIVTYHUMTPL-HRAATJIYSA-N 1 1 423.488 4.107 50 0 HIAAMO COc1cccc(C2=NN(C(=O)C[N@H+]3CCCC[C@@H]3C)[C@@H](c3ccccc3F)C2)c1 ZINC000105008191 560859719 /nfs/dbraw/zinc/85/97/19/560859719.db2.gz FBNLNXKWUIVBNV-GAJHUEQPSA-N 1 1 409.505 4.386 50 0 HIAAMO CC(C)[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)[C@H]1CCCC[C@H]1O ZINC000107538054 560896595 /nfs/dbraw/zinc/89/65/95/560896595.db2.gz IXSQVEZGBODXMZ-NWDGAFQWSA-N 1 1 400.342 4.075 50 0 HIAAMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032244 568424731 /nfs/dbraw/zinc/42/47/31/568424731.db2.gz RTWTXYUARLUKNA-UHFFFAOYSA-N 1 1 402.951 4.484 50 0 HIAAMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(=O)n2nc(C3CCCCC3)sc2n1 ZINC000046032244 568424732 /nfs/dbraw/zinc/42/47/32/568424732.db2.gz RTWTXYUARLUKNA-UHFFFAOYSA-N 1 1 402.951 4.484 50 0 HIAAMO Cc1noc(C)c1CSc1ncccc1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000048236992 568432954 /nfs/dbraw/zinc/43/29/54/568432954.db2.gz UMCJPQPNTQFBBU-MRXNPFEDSA-N 1 1 416.591 4.363 50 0 HIAAMO COc1ccc(C[N@H+](Cc2nnnn2-c2ccccc2)[C@@H](C)Cc2cccs2)cc1 ZINC000024892941 568478775 /nfs/dbraw/zinc/47/87/75/568478775.db2.gz RVXNVPFPFKCLLG-SFHVURJKSA-N 1 1 419.554 4.366 50 0 HIAAMO COc1ccc(C[N@@H+](Cc2nnnn2-c2ccccc2)[C@@H](C)Cc2cccs2)cc1 ZINC000024892941 568478776 /nfs/dbraw/zinc/47/87/76/568478776.db2.gz RVXNVPFPFKCLLG-SFHVURJKSA-N 1 1 419.554 4.366 50 0 HIAAMO CN1CC[NH+]([C@@H](CNc2nc(C(F)(F)F)nc3ccccc32)c2cccs2)CC1 ZINC000022786951 568499651 /nfs/dbraw/zinc/49/96/51/568499651.db2.gz WGFITIGJFPOCNX-INIZCTEOSA-N 1 1 421.492 4.111 50 0 HIAAMO C[NH+]1CCN([C@@H](CNc2nc(C(F)(F)F)nc3ccccc32)c2cccs2)CC1 ZINC000022786951 568499652 /nfs/dbraw/zinc/49/96/52/568499652.db2.gz WGFITIGJFPOCNX-INIZCTEOSA-N 1 1 421.492 4.111 50 0 HIAAMO CN1CC[NH+]([C@H](CNc2nc(C(F)(F)F)nc3ccccc32)c2cccs2)CC1 ZINC000022786958 568499677 /nfs/dbraw/zinc/49/96/77/568499677.db2.gz WGFITIGJFPOCNX-MRXNPFEDSA-N 1 1 421.492 4.111 50 0 HIAAMO C[NH+]1CCN([C@H](CNc2nc(C(F)(F)F)nc3ccccc32)c2cccs2)CC1 ZINC000022786958 568499678 /nfs/dbraw/zinc/49/96/78/568499678.db2.gz WGFITIGJFPOCNX-MRXNPFEDSA-N 1 1 421.492 4.111 50 0 HIAAMO Cc1ccc(C)c(NC(=O)N2CC[NH+](CCn3c(C(C)C)nc4cccnc43)CC2)c1 ZINC000033139841 568511335 /nfs/dbraw/zinc/51/13/35/568511335.db2.gz PTPICZQZZXHREO-UHFFFAOYSA-N 1 1 420.561 4.021 50 0 HIAAMO Cc1ccc(Cl)cc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095446459 568611927 /nfs/dbraw/zinc/61/19/27/568611927.db2.gz UGZJUICQOFVDAB-NHCUHLMSSA-N 1 1 407.002 4.449 50 0 HIAAMO Cc1ccc(Cl)cc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000095446458 568612040 /nfs/dbraw/zinc/61/20/40/568612040.db2.gz UGZJUICQOFVDAB-SFTDATJTSA-N 1 1 407.002 4.449 50 0 HIAAMO CCOc1ccc(NC(=O)NCc2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc1 ZINC000020927246 568651517 /nfs/dbraw/zinc/65/15/17/568651517.db2.gz UOKWIEODTWVXMC-UHFFFAOYSA-N 1 1 410.543 4.247 50 0 HIAAMO CCCC[N@@H+](CC)CCCNC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1 ZINC000020980121 568654601 /nfs/dbraw/zinc/65/46/01/568654601.db2.gz PWBHCZSJVPNCSE-UHFFFAOYSA-N 1 1 407.562 4.213 50 0 HIAAMO Cc1nn2c(ncc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)c2C)c1-c1cccc(C)c1 ZINC000021537906 568713001 /nfs/dbraw/zinc/71/30/01/568713001.db2.gz KZGYJTLTKXSMKY-GOSISDBHSA-N 1 1 419.573 4.173 50 0 HIAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000021794158 568753339 /nfs/dbraw/zinc/75/33/39/568753339.db2.gz QRTMYXCVKZIYSM-UHFFFAOYSA-N 1 1 403.486 4.390 50 0 HIAAMO COc1ccccc1C(=O)Nc1ccc(Nc2cc(N3CCCC3)[nH+]c(C)n2)cc1 ZINC000021794158 568753341 /nfs/dbraw/zinc/75/33/41/568753341.db2.gz QRTMYXCVKZIYSM-UHFFFAOYSA-N 1 1 403.486 4.390 50 0 HIAAMO O[C@](CCCc1ccccc1)(CC[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000096592216 568763125 /nfs/dbraw/zinc/76/31/25/568763125.db2.gz DBAZTCRZHOKRHN-JOCHJYFZSA-N 1 1 418.375 4.382 50 0 HIAAMO OCC[NH+]1CCN([C@H]2Cc3cc(Cl)ccc3Sc3c(Cl)cccc32)CC1 ZINC000022459336 568768086 /nfs/dbraw/zinc/76/80/86/568768086.db2.gz XSEBFSVTIBOWKS-SFHVURJKSA-N 1 1 409.382 4.352 50 0 HIAAMO Fc1ccc(Cn2nc(C[NH2+]Cc3cccnc3)c(-c3ccccc3)n2)c(Cl)c1 ZINC000261492519 568820373 /nfs/dbraw/zinc/82/03/73/568820373.db2.gz DWWDHQULXYRFSK-UHFFFAOYSA-N 1 1 407.880 4.471 50 0 HIAAMO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]C[C@H]1COc2ccccc2O1)c1ccccc1 ZINC000057024593 568823481 /nfs/dbraw/zinc/82/34/81/568823481.db2.gz LNHWLFCWOBMPGR-CYFREDJKSA-N 1 1 418.493 4.113 50 0 HIAAMO Cc1cccc(NC(=O)N2CCC[C@@H](CCC(=O)NCC[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000230140449 568852418 /nfs/dbraw/zinc/85/24/18/568852418.db2.gz XQZVPFJRKSLDTP-RTWAWAEBSA-N 1 1 414.594 4.010 50 0 HIAAMO COc1ccc(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)cc1OC ZINC000299758549 568872843 /nfs/dbraw/zinc/87/28/43/568872843.db2.gz MPAQLXIVOAZSDL-ZCNNSNEGSA-N 1 1 405.498 4.371 50 0 HIAAMO Cc1ccc(NC(=S)NCC[NH+]2CCN(c3cccc(C)c3C)CC2)c(Cl)c1 ZINC000058021453 568877914 /nfs/dbraw/zinc/87/79/14/568877914.db2.gz GMMMJEZHIQQUKI-UHFFFAOYSA-N 1 1 417.022 4.374 50 0 HIAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1ccc(OC(C)C)cc1 ZINC000263585080 568878534 /nfs/dbraw/zinc/87/85/34/568878534.db2.gz DXDWXKHWFDVNBO-LADGPHEKSA-N 1 1 416.606 4.146 50 0 HIAAMO CCC[N@H+](Cc1cc(=O)n2ccccc2n1)[C@H](C)c1ccccc1Br ZINC000059121860 568910671 /nfs/dbraw/zinc/91/06/71/568910671.db2.gz QPTFOOIPWDNIAH-OAHLLOKOSA-N 1 1 400.320 4.430 50 0 HIAAMO CCC[N@@H+](Cc1cc(=O)n2ccccc2n1)[C@H](C)c1ccccc1Br ZINC000059121860 568910673 /nfs/dbraw/zinc/91/06/73/568910673.db2.gz QPTFOOIPWDNIAH-OAHLLOKOSA-N 1 1 400.320 4.430 50 0 HIAAMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000031056611 568911258 /nfs/dbraw/zinc/91/12/58/568911258.db2.gz WJUPCRRNTWVKCK-QGZVFWFLSA-N 1 1 400.548 4.017 50 0 HIAAMO O=C(NCCC1=CCCCC1)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000031056611 568911261 /nfs/dbraw/zinc/91/12/61/568911261.db2.gz WJUPCRRNTWVKCK-QGZVFWFLSA-N 1 1 400.548 4.017 50 0 HIAAMO C[N@@H+](CCCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1)C1CCCCC1 ZINC000015774007 568919741 /nfs/dbraw/zinc/91/97/41/568919741.db2.gz DMSHRYBECIZLFZ-DEOSSOPVSA-N 1 1 419.569 4.029 50 0 HIAAMO C[N@H+]1CCCN(c2ncnc3scc(-c4ccc(Br)cc4)c32)CC1 ZINC000012737884 568925369 /nfs/dbraw/zinc/92/53/69/568925369.db2.gz AVTGMLGEOGMKAC-UHFFFAOYSA-N 1 1 403.349 4.263 50 0 HIAAMO O=C(Nc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1)c1ccc(F)cc1 ZINC000031553441 568928125 /nfs/dbraw/zinc/92/81/25/568928125.db2.gz AUGUZESGHJDZFL-UHFFFAOYSA-N 1 1 417.484 4.036 50 0 HIAAMO CC(C)[C@@H]([NH2+][C@H](C(=O)N1CCCC1)c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000012750183 568937675 /nfs/dbraw/zinc/93/76/75/568937675.db2.gz LENYHWJIUMMXAF-RPWUZVMVSA-N 1 1 408.542 4.498 50 0 HIAAMO COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CC[N@H+](C(C)C)C2 ZINC000004087110 568940723 /nfs/dbraw/zinc/94/07/23/568940723.db2.gz KAFZTAROFVNKMZ-UHFFFAOYSA-N 1 1 423.538 4.028 50 0 HIAAMO COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CC[N@@H+](C(C)C)C2 ZINC000004087110 568940724 /nfs/dbraw/zinc/94/07/24/568940724.db2.gz KAFZTAROFVNKMZ-UHFFFAOYSA-N 1 1 423.538 4.028 50 0 HIAAMO COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012751339 568940756 /nfs/dbraw/zinc/94/07/56/568940756.db2.gz FEUALKLJYMPGPC-INIZCTEOSA-N 1 1 409.555 4.362 50 0 HIAAMO COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1 ZINC000012751334 568940825 /nfs/dbraw/zinc/94/08/25/568940825.db2.gz FEUALKLJYMPGPC-MRXNPFEDSA-N 1 1 409.555 4.362 50 0 HIAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 ZINC000004087098 568940854 /nfs/dbraw/zinc/94/08/54/568940854.db2.gz OSOCGTHGVOYRFS-UHFFFAOYSA-N 1 1 421.522 4.270 50 0 HIAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 ZINC000004087098 568940855 /nfs/dbraw/zinc/94/08/55/568940855.db2.gz OSOCGTHGVOYRFS-UHFFFAOYSA-N 1 1 421.522 4.270 50 0 HIAAMO CC[N@@H+]1CCc2c(sc(NC(=O)Cc3cccc4ccccc43)c2C(=O)OC)C1 ZINC000004223548 568952432 /nfs/dbraw/zinc/95/24/32/568952432.db2.gz DEJTZOYACBYIIF-UHFFFAOYSA-N 1 1 408.523 4.247 50 0 HIAAMO CC[N@H+]1CCc2c(sc(NC(=O)Cc3cccc4ccccc43)c2C(=O)OC)C1 ZINC000004223548 568952433 /nfs/dbraw/zinc/95/24/33/568952433.db2.gz DEJTZOYACBYIIF-UHFFFAOYSA-N 1 1 408.523 4.247 50 0 HIAAMO COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)C[NH+]1CCCCC1 ZINC000008121578 568974566 /nfs/dbraw/zinc/97/45/66/568974566.db2.gz ZXEDCNVBOAHUEO-UHFFFAOYSA-N 1 1 415.921 4.334 50 0 HIAAMO O=C(c1cc(-c2cccnc2)n[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000015785488 569005699 /nfs/dbraw/zinc/00/56/99/569005699.db2.gz NXRQNGNCCWMHBD-UHFFFAOYSA-N 1 1 423.520 4.019 50 0 HIAAMO Cc1nn2c(nc(NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c3ccccc32)c1Cl ZINC000012879770 569014432 /nfs/dbraw/zinc/01/44/32/569014432.db2.gz FFUHGAHMPSQIIY-GOSISDBHSA-N 1 1 421.932 4.157 50 0 HIAAMO Cc1nn2c(nc(NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c3ccccc32)c1Cl ZINC000012879770 569014433 /nfs/dbraw/zinc/01/44/33/569014433.db2.gz FFUHGAHMPSQIIY-GOSISDBHSA-N 1 1 421.932 4.157 50 0 HIAAMO O=C(C1c2ccccc2Oc2ccccc21)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575616933 569037167 /nfs/dbraw/zinc/03/71/67/569037167.db2.gz SXSSGACGQMKSOM-UHFFFAOYSA-N 1 1 408.567 4.354 50 0 HIAAMO Cc1ccc(NC(=O)N2CCC(CC(=O)NCC[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000035529028 569044116 /nfs/dbraw/zinc/04/41/16/569044116.db2.gz BSPVYYNSQIZZPP-UHFFFAOYSA-N 1 1 414.594 4.010 50 0 HIAAMO O=C(c1csc(-c2cc3ccccc3[nH]2)n1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000035598437 569045876 /nfs/dbraw/zinc/04/58/76/569045876.db2.gz RSMUJXHLWZMKMG-UHFFFAOYSA-N 1 1 416.550 4.292 50 0 HIAAMO COc1ccc(-c2ccc(CCC(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)o2)cc1 ZINC000013010686 569050118 /nfs/dbraw/zinc/05/01/18/569050118.db2.gz NOOMVUIOUBOAQF-HSZRJFAPSA-N 1 1 404.510 4.403 50 0 HIAAMO COc1ccc(-c2ccc(CCC(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)o2)cc1 ZINC000013010686 569050119 /nfs/dbraw/zinc/05/01/19/569050119.db2.gz NOOMVUIOUBOAQF-HSZRJFAPSA-N 1 1 404.510 4.403 50 0 HIAAMO COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000245312360 569055781 /nfs/dbraw/zinc/05/57/81/569055781.db2.gz UVNDTQOPQVKEEJ-QPTUXGOLSA-N 1 1 412.505 4.141 50 0 HIAAMO COc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@H]3[C@H]2c2ccc(F)cc2)cc1 ZINC000245312360 569055782 /nfs/dbraw/zinc/05/57/82/569055782.db2.gz UVNDTQOPQVKEEJ-QPTUXGOLSA-N 1 1 412.505 4.141 50 0 HIAAMO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1csc(-c2ncccn2)n1 ZINC000089346099 569058618 /nfs/dbraw/zinc/05/86/18/569058618.db2.gz UJIRJSFFDXACIM-UHFFFAOYSA-N 1 1 408.506 4.194 50 0 HIAAMO C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1csc(-c2ncccn2)n1 ZINC000089346099 569058619 /nfs/dbraw/zinc/05/86/19/569058619.db2.gz UJIRJSFFDXACIM-UHFFFAOYSA-N 1 1 408.506 4.194 50 0 HIAAMO CCCc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccco3)CC2)n1 ZINC000035925680 569066364 /nfs/dbraw/zinc/06/63/64/569066364.db2.gz IEEFBJMJDQJGJV-UHFFFAOYSA-N 1 1 416.529 4.073 50 0 HIAAMO C[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000006583572 569067985 /nfs/dbraw/zinc/06/79/85/569067985.db2.gz WXORXXBRAYWGEW-UHFFFAOYSA-N 1 1 402.800 4.188 50 0 HIAAMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000006583572 569067986 /nfs/dbraw/zinc/06/79/86/569067986.db2.gz WXORXXBRAYWGEW-UHFFFAOYSA-N 1 1 402.800 4.188 50 0 HIAAMO COc1cccc(C[N@H+](Cc2nc(C(=O)NCc3ccncc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065572 569085847 /nfs/dbraw/zinc/08/58/47/569085847.db2.gz JANXAHRBWMCTCK-SFHVURJKSA-N 1 1 422.529 4.055 50 0 HIAAMO COc1cccc(C[N@@H+](Cc2nc(C(=O)NCc3ccncc3)co2)[C@@H](C)C(C)C)c1 ZINC000036065572 569085848 /nfs/dbraw/zinc/08/58/48/569085848.db2.gz JANXAHRBWMCTCK-SFHVURJKSA-N 1 1 422.529 4.055 50 0 HIAAMO COc1ccc(C[N@@H+](Cc2ccccc2F)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036095341 569089922 /nfs/dbraw/zinc/08/99/22/569089922.db2.gz GYRGPTQAVXAGGO-HSZRJFAPSA-N 1 1 409.501 4.414 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccccc2F)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036095341 569089923 /nfs/dbraw/zinc/08/99/23/569089923.db2.gz GYRGPTQAVXAGGO-HSZRJFAPSA-N 1 1 409.501 4.414 50 0 HIAAMO COc1ccc(C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036095740 569089992 /nfs/dbraw/zinc/08/99/92/569089992.db2.gz DBSJRUYSMPHFKX-FQEVSTJZSA-N 1 1 411.498 4.047 50 0 HIAAMO COc1ccc(C[N@H+](Cc2ccco2)C[C@H](O)COc2ccccc2C)cc1OC ZINC000036095740 569089993 /nfs/dbraw/zinc/08/99/93/569089993.db2.gz DBSJRUYSMPHFKX-FQEVSTJZSA-N 1 1 411.498 4.047 50 0 HIAAMO CC[C@H](C)[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000036095824 569090056 /nfs/dbraw/zinc/09/00/56/569090056.db2.gz INDFLJYLRAFLOD-LPHOPBHVSA-N 1 1 407.938 4.398 50 0 HIAAMO CC(C)OC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036145961 569098545 /nfs/dbraw/zinc/09/85/45/569098545.db2.gz YCOIQORDEYDQNG-VXKWHMMOSA-N 1 1 416.949 4.121 50 0 HIAAMO CC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC000036146341 569098660 /nfs/dbraw/zinc/09/86/60/569098660.db2.gz KHJGYKRMQBHRFS-CTNGQTDRSA-N 1 1 402.922 4.115 50 0 HIAAMO COc1cccc(C[N@@H+](C[C@H](O)c2ccccc2)C[C@H]2CC(c3ccccc3)=NO2)c1 ZINC000036146483 569098765 /nfs/dbraw/zinc/09/87/65/569098765.db2.gz PEQQXODKAOKJSP-RSXGOPAZSA-N 1 1 416.521 4.424 50 0 HIAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccc(C)cc4)cn32)CC1 ZINC000006748634 569108637 /nfs/dbraw/zinc/10/86/37/569108637.db2.gz PWMPRGFLSVCQEY-UHFFFAOYSA-N 1 1 404.539 4.302 50 0 HIAAMO CCC[N@@H+](Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)C[C@H](O)c1ccccc1 ZINC000036205105 569109758 /nfs/dbraw/zinc/10/97/58/569109758.db2.gz KOUAIDBBZCSZFF-YJBOKZPZSA-N 1 1 411.571 4.055 50 0 HIAAMO CCC[N@H+](Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)C[C@H](O)c1ccccc1 ZINC000036205105 569109760 /nfs/dbraw/zinc/10/97/60/569109760.db2.gz KOUAIDBBZCSZFF-YJBOKZPZSA-N 1 1 411.571 4.055 50 0 HIAAMO CCN(CC)c1onc(-c2ccccc2)c1C[N@@H+](CCC(C)C)C[C@@H](O)COC ZINC000036248936 569117946 /nfs/dbraw/zinc/11/79/46/569117946.db2.gz RIEURNYUTOLULU-HXUWFJFHSA-N 1 1 403.567 4.043 50 0 HIAAMO COc1ccc(C2=NN(C(=O)C[N@H+]3CCCC[C@H]3C)[C@@H](c3ccccc3OC)C2)cc1 ZINC000169680176 569126777 /nfs/dbraw/zinc/12/67/77/569126777.db2.gz ZRUPGJMOTXMHIY-WZONZLPQSA-N 1 1 421.541 4.256 50 0 HIAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036308497 569130313 /nfs/dbraw/zinc/13/03/13/569130313.db2.gz HTUCRBHHGRVEKD-QFIPXVFZSA-N 1 1 421.541 4.335 50 0 HIAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)C1CC1 ZINC000036308497 569130314 /nfs/dbraw/zinc/13/03/14/569130314.db2.gz HTUCRBHHGRVEKD-QFIPXVFZSA-N 1 1 421.541 4.335 50 0 HIAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1)C[C@@H](O)COCC ZINC000036308292 569130330 /nfs/dbraw/zinc/13/03/30/569130330.db2.gz TYFDUQLVGOJDIU-OAQYLSRUSA-N 1 1 423.557 4.489 50 0 HIAAMO Cc1cc2sc(N3CCC[C@@H](C(=O)NCC[N@@H+]4CCCC[C@@H]4C)C3)nc2c(C)c1 ZINC000006821484 569140519 /nfs/dbraw/zinc/14/05/19/569140519.db2.gz WSCQJELSEOAECD-RBUKOAKNSA-N 1 1 414.619 4.120 50 0 HIAAMO COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C[N@H+]2CCCC[C@H]2C)c(OC)c1 ZINC000036343337 569142887 /nfs/dbraw/zinc/14/28/87/569142887.db2.gz VHHOTAFBXIDPJK-JPYJTQIMSA-N 1 1 421.541 4.256 50 0 HIAAMO CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000006871137 569161986 /nfs/dbraw/zinc/16/19/86/569161986.db2.gz MNSBERTVXDNUAV-DNQXCXABSA-N 1 1 410.558 4.386 50 0 HIAAMO Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCCC[N@H+](C)Cc2ccccc2)o1 ZINC000006895396 569175276 /nfs/dbraw/zinc/17/52/76/569175276.db2.gz CIMYGFZMZNVGLL-SSEXGKCCSA-N 1 1 424.566 4.148 50 0 HIAAMO CSc1ncc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c(-c2ccccc2)n1 ZINC000006938219 569185326 /nfs/dbraw/zinc/18/53/26/569185326.db2.gz GRQWAUPTGQLTLD-UHFFFAOYSA-N 1 1 418.566 4.044 50 0 HIAAMO CCCn1c(-c2cccc(C(=O)NCC[N@H+]3CCCC[C@@H]3C)c2)nc2cccnc21 ZINC000065172873 569189956 /nfs/dbraw/zinc/18/99/56/569189956.db2.gz XGZZCVWYKHOHCH-SFHVURJKSA-N 1 1 405.546 4.113 50 0 HIAAMO COc1ccc(-c2noc(C3CC[NH+](CC(=O)Nc4cccc(C)c4C)CC3)n2)cc1 ZINC000065184180 569191301 /nfs/dbraw/zinc/19/13/01/569191301.db2.gz VENGEUQZZOGSOD-UHFFFAOYSA-N 1 1 420.513 4.180 50 0 HIAAMO Cc1nn(C(F)F)c(C)c1CC(=O)OC[C@@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000170609306 569245106 /nfs/dbraw/zinc/24/51/06/569245106.db2.gz DHMLLPLZMLGYKB-QVKFZJNVSA-N 1 1 409.452 4.156 50 0 HIAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)CCc4ccccc4)CC3)n2)cc1 ZINC000017042554 569272358 /nfs/dbraw/zinc/27/23/58/569272358.db2.gz TYIOCBNBJBHRSE-UHFFFAOYSA-N 1 1 415.541 4.118 50 0 HIAAMO CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F)c1cccnc1 ZINC000252552553 569294323 /nfs/dbraw/zinc/29/43/23/569294323.db2.gz UWGHQFZQZXVTHR-HBMCJLEFSA-N 1 1 419.491 4.248 50 0 HIAAMO Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006922896 569357071 /nfs/dbraw/zinc/35/70/71/569357071.db2.gz IFTUWZFWZFURTJ-DCEDVJGZSA-N 1 1 422.525 4.031 50 0 biogenic HIAAMO Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000006922896 569357073 /nfs/dbraw/zinc/35/70/73/569357073.db2.gz IFTUWZFWZFURTJ-DCEDVJGZSA-N 1 1 422.525 4.031 50 0 biogenic HIAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccs3)C[C@H]2CN(CC(C)C)C(C)=O)c1 ZINC000253388931 569364984 /nfs/dbraw/zinc/36/49/84/569364984.db2.gz WPIGZZKBOSUYGD-REWPJTCUSA-N 1 1 400.588 4.477 50 0 HIAAMO Cc1cncc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000328592633 569415456 /nfs/dbraw/zinc/41/54/56/569415456.db2.gz QLHDOEBIWJSDLR-UHFFFAOYSA-N 1 1 405.464 4.076 50 0 HIAAMO Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019793464 569430009 /nfs/dbraw/zinc/43/00/09/569430009.db2.gz CSGJOVFQSVUREI-UHFFFAOYSA-N 1 1 415.459 4.173 50 0 HIAAMO Cc1cc2[nH+]c(NCCCO)n(CC(=O)c3ccc(Br)s3)c2cc1C ZINC000067350874 571081536 /nfs/dbraw/zinc/08/15/36/571081536.db2.gz LDKLPERXLXKGPB-UHFFFAOYSA-N 1 1 422.348 4.154 50 0 HIAAMO CC(C)c1c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)cnn1-c1ccccn1 ZINC000040088923 571158917 /nfs/dbraw/zinc/15/89/17/571158917.db2.gz ZBNLDBUVONESSG-UHFFFAOYSA-N 1 1 424.574 4.476 50 0 HIAAMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cc2csc(-c3ccco3)n2)C1 ZINC000040107133 571167506 /nfs/dbraw/zinc/16/75/06/571167506.db2.gz RTTVBCDUHXWPSZ-QGZVFWFLSA-N 1 1 409.555 4.494 50 0 HIAAMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000040121455 571177534 /nfs/dbraw/zinc/17/75/34/571177534.db2.gz NUNKDFBWRZSMPN-IYBDPMFKSA-N 1 1 406.448 4.245 50 0 HIAAMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccccc2C(F)(F)F)C[C@H](C)O1 ZINC000040121455 571177535 /nfs/dbraw/zinc/17/75/35/571177535.db2.gz NUNKDFBWRZSMPN-IYBDPMFKSA-N 1 1 406.448 4.245 50 0 HIAAMO COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=[NH+]3)cc1 ZINC000009309681 571247004 /nfs/dbraw/zinc/24/70/04/571247004.db2.gz FYJXHHKCGSJHFC-DNQXCXABSA-N 1 1 423.476 4.203 50 0 HIAAMO